0 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.83 C#Cc1ccc(cc1)CSC 62a_200000210301_100000140223 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.83 C#Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000140223 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [0,0,0,0,0,0|0,1,2]=3 17 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [0,0,0,0,0,0|0,1,2]=3 18 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [0,0,0,0,0,0|0,1,2]=3 19 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [0,0,0,0,0,0|0,1,2]=3 20 B11R1.83 C=C=Cc1ccc(cc1)C#N 271570a_100015277604_100000179745 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [0,0,0,0,0,0|1,0,2]=3 23 B11R1.83 C=C=Cc1ccc(cc1)CF 271570a_100015277604_100010268989 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.83 C=C=Cc1ccc(cc1)CN 271570a_100015277604_100016989417 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [0,0,0,0,0,0|1,0,2]=3 27 B11R1.83 C=C=Cc1ccc(cc1)NN 271570a_100015277604_100016988836 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [0,0,0,0,0,0|0,0,2]=2 29 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [0,0,0,0,0,0|0,1,2]=3 30 B11R1.83 C=C=Cc1ccc(cn1)CC 271570a_100015277604_100009843584 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.83 C=C=Cc1ccc(cn1)NC 271570a_100015277604_100000764248 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [0,0,0,0,0,0|1,0,2]=3 33 B11R1.83 C=C=Cc1ccc(cn1)SC 271570a_100015277604_100009820866 [0,0,0,0,0,0|1,1,2]=4 34 B11R1.83 C=C=Cc1ccc(nc1)CC 271570a_100015277604_100009820025 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.83 C=C=Cc1ccc(nc1)NC 271570a_100015277604_100000741341 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [0,0,0,0,0,0|1,0,2]=3 37 B11R1.83 C=C=Cc1ccc(nc1)SC 271570a_100015277604_100011408404 [0,0,0,0,0,0|1,1,2]=4 38 B11R1.83 C=C=Cc1ccc(nn1)OC 271570a_100015277604_100009819040 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.83 C=C=Cc1cnc(cn1)OC 271570a_100015277604_100011998698 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.83 C=C=Cc1cnc(nc1)OC 271570a_100015277604_100000686852 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.83 C=C=Cc1ncc(cn1)OC 271570a_100015277604_100000069167 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [0,0,0,0,0,0|0,0,0]=0 43 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [0,0,0,0,0,0|0,0,0]=0 44 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [0,0,0,0,0,0|0,0,0]=0 45 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [0,0,0,0,0,0|0,0,0]=0 46 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [0,0,0,0,0,0|1,1,0]=2 47 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [0,0,0,0,0,0|1,1,0]=2 48 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [0,0,0,0,0,0|1,1,0]=2 49 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [0,0,0,0,0,0|1,1,0]=2 50 B11R1.83 C=Cc1ccc(cc1)/C=C/Br 271570a_100011290941_200016255901 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [0,0,0,0,0,0|1,0,3]=4 52 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [0,0,0,0,0,0|2,0,2]=4 53 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [0,0,0,0,0,0|2,0,1]=3 54 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [0,0,0,0,0,0|1,0,3]=4 55 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [0,0,0,0,0,0|2,0,2]=4 56 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [0,0,0,0,0,0|2,0,2]=4 57 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [0,0,0,0,0,0|2,0,2]=4 62 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [0,0,0,0,0,0|2,0,2]=4 63 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [0,0,0,0,0,0|2,0,2]=4 64 B11R1.83 C=Cc1ccc(cc1)CNN 271570a_100011290941_100016993955 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [0,0,0,0,0,0|2,0,2]=4 66 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [0,0,0,0,0,0|2,0,2]=4 67 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [0,0,0,0,0,0|2,0,2]=4 68 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [0,0,0,0,0,0|2,0,2]=4 69 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [0,0,0,0,0,0|2,0,2]=4 71 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [0,0,0,0,0,0|2,0,2]=4 72 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [0,0,0,0,0,0|2,0,2]=4 73 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [0,0,0,0,0,0|2,0,2]=4 74 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [0,0,0,0,0,0|2,0,2]=4 75 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [0,0,0,0,0,0|2,0,2]=4 76 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [0,0,0,0,0,0|2,0,2]=4 77 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,0,0,0,0,0|2,0,2]=4 78 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [0,0,0,0,0,0|1,0,2]=3 79 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [0,0,0,0,0,0|2,0,2]=4 80 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [0,0,0,0,0,0|2,0,2]=4 81 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [0,0,0,0,0,0|2,0,2]=4 82 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [0,0,0,0,0,0|1,0,2]=3 83 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [0,0,0,0,0,0|2,0,2]=4 84 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [0,0,0,0,0,0|0,0,2]=2 85 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [0,0,0,0,0,0|0,1,2]=3 86 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [0,0,0,0,0,0|1,0,2]=3 89 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [0,0,0,0,0,0|1,1,2]=4 90 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [0,0,0,0,0,0|2,0,2]=4 92 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [0,0,0,0,0,0|1,0,2]=3 93 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [0,0,0,0,0,0|1,1,2]=4 94 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [0,0,0,0,0,0|2,0,2]=4 95 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [0,0,0,0,0,0|2,0,2]=4 96 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [0,0,0,0,0,0|2,0,2]=4 97 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [0,0,0,0,0,0|2,0,2]=4 98 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [0,0,0,0,0,0|1,0,2]=3 99 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [0,0,0,0,0,0|1,0,2]=3 100 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [0,0,0,0,0,0|1,0,2]=3 101 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [0,0,0,0,0,0|1,0,2]=3 102 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [0,0,0,0,0,0|0,0,2]=2 103 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [0,0,0,0,0,0|0,0,2]=2 104 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [0,0,0,0,0,0|0,0,2]=2 105 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [0,0,0,0,0,0|0,0,2]=2 106 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [0,0,0,0,0,0|0,1,2]=3 107 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [0,0,0,0,0,0|0,1,2]=3 108 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [0,0,0,0,0,0|0,1,2]=3 109 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [0,0,0,0,0,0|0,1,2]=3 110 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [0,0,0,0,0,0|2,0,2]=4 111 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [0,0,0,0,0,0|2,0,2]=4 112 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [0,0,0,0,0,0|1,0,2]=3 113 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [0,0,0,0,0,0|1,0,2]=3 114 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [0,0,0,0,0,0|1,0,2]=3 115 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [0,0,0,0,0,0|1,0,2]=3 116 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [0,0,0,0,0,0|1,0,2]=3 117 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [0,0,0,0,0,0|1,1,2]=4 118 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [0,0,0,0,0,0|1,1,2]=4 119 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [0,0,0,0,0,0|1,1,2]=4 120 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [0,0,0,0,0,0|2,0,2]=4 121 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [0,0,0,0,0,0|2,0,2]=4 122 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [0,0,0,0,0,0|2,0,2]=4 123 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [0,0,0,0,0,0|2,0,2]=4 124 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [0,0,0,0,0,0|2,0,2]=4 125 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [0,0,0,0,0,0|2,0,2]=4 126 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [0,0,0,0,0,0|2,0,2]=4 127 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,0,0,0,0,0|1,0,2]=3 128 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,0,0,0,0,0|1,0,2]=3 129 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,0,0,0,0,0|1,0,2]=3 130 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [0,0,0,0,0,0|1,1,2]=4 131 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [0,0,0,0,0,0|1,1,2]=4 132 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [0,0,0,0,0,0|1,1,2]=4 133 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [0,0,0,0,0,0|2,0,2]=4 134 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [0,0,0,0,0,0|2,0,2]=4 135 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [0,0,0,0,0,0|2,0,2]=4 136 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [0,0,0,0,0,0|2,0,2]=4 137 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [0,0,0,0,0,0|2,0,2]=4 138 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [0,0,0,0,0,0|2,0,2]=4 139 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [0,0,0,0,0,0|2,0,2]=4 140 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [0,0,0,0,0,0|2,0,2]=4 141 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [0,0,0,0,0,0|1,0,2]=3 142 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [0,0,0,0,0,0|1,1,2]=4 143 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [0,0,0,0,0,0|1,1,2]=4 144 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [0,0,0,0,0,0|1,1,2]=4 145 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [0,0,0,0,0,0|1,1,2]=4 146 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [0,0,0,0,0,0|1,1,2]=4 147 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [0,0,0,0,0,0|1,1,2]=4 148 B11R1.83 CCSc1ccc(cn1)OC 62a_100000210202_100000744180 [0,0,0,0,0,0|2,0,2]=4 149 B11R1.83 CCSc1ccc(cn1)OC 62a_100000755202_100000210202 [0,0,0,0,0,0|2,0,2]=4 150 B11R1.83 CCSc1ccc(nc1)OC 62a_100000047065_100000210202 [0,0,0,0,0,0|2,0,2]=4 151 B11R1.83 CCSc1ccc(nc1)OC 62a_100000210202_100000047065 [0,0,0,0,0,0|2,0,2]=4 152 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [0,0,0,0,0,0|2,0,1]=3 153 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [0,0,0,0,0,0|2,0,1]=3 154 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [0,0,0,0,0,0|2,0,1]=3 155 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [0,0,0,0,0,0|2,0,1]=3 156 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [0,0,0,0,0,0|2,0,1]=3 157 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [0,0,0,0,0,0|2,0,1]=3 158 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [0,0,0,0,0,0|2,0,1]=3 159 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [0,0,0,0,0,0|2,0,1]=3 160 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [0,0,0,0,0,0|2,0,1]=3 161 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [0,0,0,0,0,0|2,0,1]=3 162 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [0,0,0,0,0,0|2,0,1]=3 163 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [0,0,0,0,0,0|2,0,1]=3 164 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [0,0,0,0,0,0|2,0,1]=3 165 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [0,0,0,0,0,0|2,0,1]=3 166 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [0,0,0,0,0,0|2,0,1]=3 167 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [0,0,0,0,0,0|2,0,1]=3 168 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [0,0,0,0,0,0|2,0,1]=3 169 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [0,0,0,0,0,0|2,0,1]=3 170 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [0,0,0,0,0,0|2,0,1]=3 171 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [0,0,0,0,0,0|3,0,1]=4 172 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [0,0,0,0,0,0|3,0,1]=4 174 B11R1.83 CCc1ccc(cc1)SCF 62a_100011215824_100015361967 [0,0,0,0,0,0|3,0,1]=4 175 B11R1.83 CCc1ccc(cc1)SCF 62a_100015361967_100011215824 [0,0,0,0,0,0|3,0,1]=4 176 B11R1.83 CCc1ccc(nc1)CNC 207a_100102657272_100000069529 [0,0,0,0,0,0|3,0,1]=4 177 B11R1.83 CCc1ccc(nc1)CNC 2230a_100000069493_200000210301 [0,0,0,0,0,0|3,0,1]=4 178 B11R1.83 CCc1ccc(nc1)CNC 270004a_106832991635_100000069529 [0,0,0,0,0,0|3,0,1]=4 179 B11R1.83 CCc1ccc(nc1)CNC 34a_100000069493_200000210301 [0,0,0,0,0,0|3,0,1]=4 180 B11R1.83 CCc1ccc(nc1)CN[13CH3] 2230a_100000069493_200025704644 [0,0,0,0,0,0|3,0,1]=4 181 B11R1.83 CCc1ccc(nc1)CN[13CH3] 34a_100000069493_200025704644 [0,0,0,0,0,0|3,0,1]=4 182 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [0,0,0,0,0,0|3,0,1]=4 183 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [0,0,0,0,0,0|3,0,1]=4 184 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [0,0,0,0,0,0|3,0,1]=4 185 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [0,0,0,0,0,0|3,0,1]=4 187 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [0,0,0,0,0,0|3,0,1]=4 188 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [0,0,0,0,0,0|3,0,1]=4 189 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [0,0,0,0,0,0|3,0,1]=4 190 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [0,0,0,0,0,0|3,0,1]=4 191 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [0,0,0,0,0,0|3,0,1]=4 192 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [0,0,0,0,0,0|3,0,1]=4 193 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [0,0,0,0,0,0|3,0,1]=4 195 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [0,0,0,0,0,0|3,0,1]=4 196 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [0,0,0,0,0,0|3,0,1]=4 197 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [0,0,0,0,0,0|3,0,1]=4 198 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [0,0,0,0,0,0|3,0,1]=4 199 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [0,0,0,0,0,0|3,0,1]=4 200 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [0,0,0,0,0,0|3,0,1]=4 201 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [0,0,0,0,0,0|3,0,1]=4 202 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [0,0,0,0,0,0|1,0,1]=2 203 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [0,0,0,0,0,0|1,0,1]=2 204 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [0,0,0,0,0,0|1,0,1]=2 205 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [0,0,0,0,0,0|1,0,1]=2 206 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [0,0,0,0,0,0|1,0,1]=2 207 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [0,0,0,0,0,0|1,0,1]=2 208 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [0,0,0,0,0,0|1,0,1]=2 209 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [0,0,0,0,0,0|1,0,1]=2 210 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [0,0,0,0,0,0|1,0,1]=2 211 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [0,0,0,0,0,0|1,1,1]=3 212 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [0,0,0,0,0,0|1,1,1]=3 213 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [0,0,0,0,0,0|1,1,1]=3 214 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [0,0,0,0,0,0|1,1,1]=3 215 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [0,0,0,0,0,0|1,1,1]=3 216 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [0,0,0,0,0,0|1,1,1]=3 217 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [0,0,0,0,0,0|1,1,1]=3 218 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [0,0,0,0,0,0|1,1,1]=3 219 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [0,0,0,0,0,0|1,1,1]=3 220 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [0,0,0,0,0,0|1,1,1]=3 221 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [0,0,0,0,0,0|1,1,1]=3 222 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [0,0,0,0,0,0|1,1,1]=3 223 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [0,0,0,0,0,0|2,0,1]=3 224 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [0,0,0,0,0,0|2,0,1]=3 225 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [0,0,0,0,0,0|2,0,1]=3 226 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [0,0,0,0,0,0|2,0,1]=3 227 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [0,0,0,0,0,0|2,0,1]=3 228 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [0,0,0,0,0,0|2,0,1]=3 229 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [0,0,0,0,0,0|2,0,1]=3 230 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [0,0,0,0,0,0|2,0,1]=3 231 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [0,0,0,0,0,0|2,0,1]=3 232 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [0,0,0,0,0,0|2,0,1]=3 233 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [0,0,0,0,0,0|2,0,1]=3 234 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [0,0,0,0,0,0|2,0,1]=3 235 B11R1.83 CNCc1ccc(nc1)SC 62a_100000026953_200000210301 [0,0,0,0,0,0|2,1,1]=4 236 B11R1.83 CNCc1ccc(nc1)SC 62a_200000210301_100000026953 [0,0,0,0,0,0|2,1,1]=4 237 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_100000026953_200025704644 [0,0,0,0,0,0|2,1,1]=4 238 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_200025704644_100000026953 [0,0,0,0,0,0|2,1,1]=4 239 B11R1.83 CNCc1cnc(cn1)OC 207a_100102657272_100000099869 [0,0,0,0,0,0|3,0,1]=4 240 B11R1.83 CNCc1cnc(cn1)OC 270004a_106832991635_100000099869 [0,0,0,0,0,0|3,0,1]=4 241 B11R1.83 CNCc1cnc(nc1)OC 270004a_106832991635_100011202752 [0,0,0,0,0,0|3,0,1]=4 242 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [0,0,0,0,0,0|2,0,1]=3 243 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [0,0,0,0,0,0|2,0,1]=3 244 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [0,0,0,0,0,0|2,0,1]=3 245 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [0,0,0,0,0,0|2,0,1]=3 246 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [0,0,0,0,0,0|2,0,1]=3 247 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [0,0,0,0,0,0|2,0,1]=3 248 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [0,0,0,0,0,0|2,0,1]=3 249 B11R1.83 CNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200000210301 [0,0,0,0,0,0|4,0,0]=4 250 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [0,0,0,0,0,0|3,0,1]=4 251 B11R1.83 CNc1ccc(cc1)SCF 62a_100000743151_100015361967 [0,0,0,0,0,0|3,0,1]=4 252 B11R1.83 CNc1ccc(cc1)SCF 62a_100015361967_100000743151 [0,0,0,0,0,0|3,0,1]=4 253 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [0,0,0,0,0,0|3,0,1]=4 254 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [0,0,0,0,0,0|3,0,1]=4 255 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [0,0,0,0,0,0|3,0,1]=4 256 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,0,0,0,0,0|3,0,1]=4 257 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [0,0,0,0,0,0|3,0,1]=4 258 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [0,0,0,0,0,0|3,0,1]=4 259 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [0,0,0,0,0,0|3,0,1]=4 260 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [0,0,0,0,0,0|3,0,1]=4 261 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [0,0,0,0,0,0|3,0,1]=4 262 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [0,0,0,0,0,0|3,0,1]=4 263 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [0,0,0,0,0,0|2,0,1]=3 264 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [0,0,0,0,0,0|1,0,1]=2 265 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [0,0,0,0,0,0|1,0,1]=2 266 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [0,0,0,0,0,0|1,0,1]=2 267 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [0,0,0,0,0,0|1,0,1]=2 268 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [0,0,0,0,0,0|1,0,1]=2 269 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [0,0,0,0,0,0|1,0,1]=2 270 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [0,0,0,0,0,0|1,1,1]=3 271 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [0,0,0,0,0,0|1,1,1]=3 272 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [0,0,0,0,0,0|1,1,1]=3 273 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [0,0,0,0,0,0|1,1,1]=3 274 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [0,0,0,0,0,0|1,1,1]=3 275 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [0,0,0,0,0,0|1,1,1]=3 276 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [0,0,0,0,0,0|1,1,1]=3 277 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [0,0,0,0,0,0|2,0,1]=3 278 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [0,0,0,0,0,0|2,0,1]=3 279 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [0,0,0,0,0,0|2,0,1]=3 280 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [0,0,0,0,0,0|2,0,1]=3 281 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [0,0,0,0,0,0|1,0,1]=2 282 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [0,0,0,0,0,0|1,0,1]=2 283 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [0,0,0,0,0,0|1,0,1]=2 284 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [0,0,0,0,0,0|1,0,1]=2 285 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [0,0,0,0,0,0|1,0,1]=2 286 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [0,0,0,0,0,0|1,0,1]=2 287 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [0,0,0,0,0,0|1,0,1]=2 288 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [0,0,0,0,0,0|1,0,1]=2 289 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [0,0,0,0,0,0|1,0,1]=2 290 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [0,0,0,0,0,0|1,0,1]=2 291 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [0,0,0,0,0,0|1,0,1]=2 292 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [0,0,0,0,0,0|2,0,1]=3 293 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [0,0,0,0,0,0|2,0,1]=3 294 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [0,0,0,0,0,0|2,0,1]=3 295 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [0,0,0,0,0,0|2,0,1]=3 296 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [0,0,0,0,0,0|2,0,1]=3 297 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [0,0,0,0,0,0|2,0,1]=3 298 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [0,0,0,0,0,0|2,0,1]=3 299 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [0,0,0,0,0,0|2,0,1]=3 300 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [0,0,0,0,0,0|2,0,1]=3 301 B11R1.83 COc1ccc(cn1)OCF 34a_100011934560_100015361967 [0,0,0,0,0,0|3,0,1]=4 302 B11R1.83 COc1ccc(cn1)SCF 62a_100000047065_100015361967 [0,0,0,0,0,0|3,0,1]=4 303 B11R1.83 COc1ccc(cn1)SCF 62a_100015361967_100000047065 [0,0,0,0,0,0|3,0,1]=4 304 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [0,0,0,0,0,0|2,0,1]=3 305 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [0,0,0,0,0,0|2,0,1]=3 306 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [0,0,0,0,0,0|2,0,1]=3 307 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [0,0,0,0,0,0|2,0,1]=3 308 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [0,0,0,0,0,0|2,0,1]=3 309 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [0,0,0,0,0,0|2,0,1]=3 310 B11R1.83 COc1ccc(nc1)OCF 34a_100012002028_100015361967 [0,0,0,0,0,0|3,0,1]=4 311 B11R1.83 COc1ccc(nc1)SCF 62a_100000755202_100015361967 [0,0,0,0,0,0|3,0,1]=4 312 B11R1.83 COc1ccc(nc1)SCF 62a_100015361967_100000744180 [0,0,0,0,0,0|3,0,1]=4 313 B11R1.83 CSCc1ccc(cc1)C#N 62a_200000210301_100000184898 [0,0,0,0,0,0|3,0,1]=4 314 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [0,0,0,0,0,0|3,0,1]=4 315 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [0,0,0,0,0,0|3,0,1]=4 316 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [0,0,0,0,0,0|3,0,1]=4 317 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [0,0,0,0,0,0|3,0,1]=4 318 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [0,0,0,0,0,0|2,0,1]=3 319 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [0,0,0,0,0,0|2,0,1]=3 320 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [0,0,0,0,0,0|2,0,1]=3 321 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [0,0,0,0,0,0|1,1,1]=3 322 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [0,0,0,0,0,0|1,1,1]=3 323 B11R1.83 CSCc1ccc(nc1)SC 62a_100000753673_200000210301 [0,0,0,0,0,0|2,1,1]=4 324 B11R1.83 CSCc1ccc(nc1)SC 62a_200000210301_100000753673 [0,0,0,0,0,0|2,1,1]=4 325 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_100000753673_200025704644 [0,0,0,0,0,0|2,1,1]=4 326 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_200025704644_100000753673 [0,0,0,0,0,0|2,1,1]=4 327 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [0,0,0,0,0,0|1,1,1]=3 328 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [0,0,0,0,0,0|1,1,1]=3 329 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [0,0,0,0,0,0|1,1,1]=3 330 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [0,0,0,0,0,0|1,1,1]=3 331 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [0,0,0,0,0,0|1,1,0]=2 332 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [0,0,0,0,0,0|1,1,0]=2 333 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [0,0,0,0,0,0|1,1,1]=3 334 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [0,0,0,0,0,0|1,1,1]=3 335 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [0,0,0,0,0,0|1,1,1]=3 336 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [0,0,0,0,0,0|1,1,1]=3 337 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [0,0,0,0,0,0|2,1,0]=3 338 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [0,0,0,0,0,0|2,1,0]=3 339 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [0,0,0,0,0,0|1,1,1]=3 340 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [0,0,0,0,0,0|1,1,1]=3 341 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [0,0,0,0,0,0|1,1,1]=3 342 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [0,0,0,0,0,0|1,1,1]=3 343 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [0,0,0,0,0,0|1,1,1]=3 344 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [0,0,0,0,0,0|1,1,1]=3 345 B11R1.83 CSc1ccc(cc1)N=[N+]=[N-] 62a_200000210301_100000735661 [0,0,0,0,0,0|3,1,0]=4 346 B11R1.83 CSc1ccc(cc1)NC#N 62a_200000210301_100011685341 [0,0,0,0,0,0|2,1,1]=4 347 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [0,0,0,0,0,0|2,1,1]=4 348 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [0,0,0,0,0,0|2,1,1]=4 349 B11R1.83 CSc1ccc(cc1)SCF 62a_100011263217_100015361967 [0,0,0,0,0,0|2,1,1]=4 350 B11R1.83 CSc1ccc(cc1)SCF 62a_100015361967_100011263217 [0,0,0,0,0,0|2,1,1]=4 351 B11R1.83 CSc1ccc(cn1)CC#N 62a_100000747943_200000210301 [0,0,0,0,0,0|2,1,1]=4 352 B11R1.83 CSc1ccc(cn1)CC#N 62a_200000210301_100000747943 [0,0,0,0,0,0|2,1,1]=4 353 B11R1.83 CSc1ccc(cn1)CCO 62a_100009880866_200000210301 [0,0,0,0,0,0|2,1,1]=4 354 B11R1.83 CSc1ccc(cn1)CCO 62a_200000210301_100009880866 [0,0,0,0,0,0|2,1,1]=4 355 B11R1.83 CSc1ccc(cn1)CNN 62a_106726394036_200000210301 [0,0,0,0,0,0|3,1,0]=4 356 B11R1.83 CSc1ccc(cn1)CNN 62a_200000210301_106726394036 [0,0,0,0,0,0|3,1,0]=4 357 B11R1.83 CSc1ccc(nc1)CC#N 62a_100011824422_200000210301 [0,0,0,0,0,0|2,1,1]=4 358 B11R1.83 CSc1ccc(nc1)CC#N 62a_200000210301_100011824422 [0,0,0,0,0,0|2,1,1]=4 359 B11R1.83 CSc1ccc(nc1)CCO 62a_100012357577_200000210301 [0,0,0,0,0,0|2,1,1]=4 360 B11R1.83 CSc1ccc(nc1)CCO 62a_200000210301_100012357577 [0,0,0,0,0,0|2,1,1]=4 361 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [0,0,0,0,0,0|3,0,1]=4 362 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [0,0,0,0,0,0|3,0,1]=4 363 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [0,0,0,0,0,0|3,0,1]=4 364 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [0,0,0,0,0,0|2,0,1]=3 365 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [0,0,0,0,0,0|2,0,1]=3 366 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [0,0,0,0,0,0|2,0,1]=3 367 B11R1.83 [13CH3]Nc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200025704644 [0,0,0,0,0,0|4,0,0]=4 368 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [0,0,0,0,0,0|3,0,1]=4 369 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [0,0,0,0,0,0|3,0,1]=4 370 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [0,0,0,0,0,0|3,0,1]=4 371 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [0,0,0,0,0,0|3,0,1]=4 372 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [0,0,0,0,0,0|3,0,1]=4 373 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [0,0,0,0,0,0|3,0,1]=4 374 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [0,0,0,0,0,0|3,0,1]=4 375 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [0,0,0,0,0,0|1,0,1]=2 376 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [0,0,0,0,0,0|1,0,1]=2 377 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [0,0,0,0,0,0|1,0,1]=2 378 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [0,0,0,0,0,0|1,0,1]=2 379 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [0,0,0,0,0,0|1,0,1]=2 380 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [0,0,0,0,0,0|1,0,1]=2 381 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [0,0,0,0,0,0|1,0,1]=2 382 B11R1.83 [13CH3]SCc1ccc(cc1)C#N 62a_200025704644_100000184898 [0,0,0,0,0,0|3,0,1]=4 383 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [0,0,0,0,0,0|3,0,1]=4 384 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [0,0,0,0,0,0|3,0,1]=4 385 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [0,0,0,0,0,0|3,0,1]=4 386 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [0,0,0,0,0,0|3,0,1]=4 387 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [0,0,0,0,0,0|1,1,1]=3 388 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [0,0,0,0,0,0|1,1,1]=3 389 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [0,0,0,0,0,0|1,1,1]=3 390 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [0,0,0,0,0,0|1,1,1]=3 391 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [0,0,0,0,0,0|1,1,0]=2 392 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [0,0,0,0,0,0|1,1,0]=2 393 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [0,0,0,0,0,0|1,1,1]=3 394 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [0,0,0,0,0,0|1,1,1]=3 395 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [0,0,0,0,0,0|1,1,1]=3 396 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [0,0,0,0,0,0|1,1,1]=3 397 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [0,0,0,0,0,0|2,1,0]=3 398 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [0,0,0,0,0,0|2,1,0]=3 399 B11R1.83 [13CH3]Sc1ccc(cc1)N=[N+]=[N-] 62a_200025704644_100000735661 [0,0,0,0,0,0|3,1,0]=4 400 B11R1.83 [13CH3]Sc1ccc(cc1)NC#N 62a_200025704644_100011685341 [0,0,0,0,0,0|2,1,1]=4 401 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_100000747943_200025704644 [0,0,0,0,0,0|2,1,1]=4 402 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_200025704644_100000747943 [0,0,0,0,0,0|2,1,1]=4 403 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_100009880866_200025704644 [0,0,0,0,0,0|2,1,1]=4 404 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_200025704644_100009880866 [0,0,0,0,0,0|2,1,1]=4 405 B11R1.83 [13CH3]Sc1ccc(cn1)CNN 62a_106726394036_200025704644 [0,0,0,0,0,0|3,1,0]=4 406 B11R1.83 [13CH3]Sc1ccc(cn1)CNN 62a_200025704644_106726394036 [0,0,0,0,0,0|3,1,0]=4 407 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_100011824422_200025704644 [0,0,0,0,0,0|2,1,1]=4 408 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_200025704644_100011824422 [0,0,0,0,0,0|2,1,1]=4 409 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_100012357577_200025704644 [0,0,0,0,0,0|2,1,1]=4 410 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_200025704644_100012357577 [0,0,0,0,0,0|2,1,1]=4 411 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,0,0,0,0|0,0,2]=3 412 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,0,0,0,0,0|1,0,2]=4 413 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,0,0,0,0,0|0,0,2]=3 414 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,0,0,0,0,0|1,0,2]=4 415 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,0,0,0,0,0|1,0,2]=4 416 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,0,0,0,0,0|1,0,2]=4 417 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,0,0,0,0,0|0,0,2]=3 418 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [1,0,0,0,0,0|1,0,2]=4 419 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [1,0,0,0,0,0|1,0,2]=4 420 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [1,0,0,0,0,0|1,0,2]=4 421 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,0,0,0,0,0|1,0,2]=4 422 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,0,0,0,0,0|0,0,2]=3 423 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,0,0,0,0,0|1,0,2]=4 424 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,0,0,0,0,0|1,0,2]=4 425 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,0,0,0,0,0|1,0,2]=4 426 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,0,0,0,0|0,0,2]=3 427 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,0,0,0,0,0|1,0,2]=4 428 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,0,0,0,0,0|1,0,2]=4 429 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,0,0,0,0,0|1,0,2]=4 430 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,0,0,0,0,0|0,0,2]=3 431 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,0,0,0,0,0|1,0,2]=4 432 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,0,0,0,0,0|1,0,2]=4 433 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,0,0,0,0,0|1,0,2]=4 434 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,0,0,0,0,0|1,0,2]=4 435 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,0,0,0,0,0|1,0,2]=4 436 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,0,0,0,0,0|1,0,2]=4 437 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,0,0,0,0,0|1,0,2]=4 438 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,0,0,0,0,0|1,0,2]=4 439 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,0,0,0,0,0|1,0,2]=4 440 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,0,0,0,0,0|1,0,2]=4 441 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,0,0,0,0,0|2,0,1]=4 442 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,0,0,0,0,0|2,0,1]=4 443 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,0,0,0,0,0|2,0,1]=4 444 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,0,0,0,0,0|2,0,1]=4 445 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,0,0,0,0,0|2,0,1]=4 446 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,0,0,0,0,0|2,0,1]=4 447 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,0,0,0,0,0|2,0,1]=4 448 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,0,0,0,0,0|2,0,1]=4 449 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,0,0,0,0,0|1,0,1]=3 450 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,0,0,0,0,0|1,0,1]=3 451 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,0,0,0,0,0|1,0,1]=3 452 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,0,0,0,0,0|1,0,1]=3 453 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,0,0,0,0,0|1,0,1]=3 454 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,0,0,0,0,0|1,0,1]=3 455 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,0,0,0,0,0|1,0,1]=3 456 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,0,0,0,0,0|1,0,1]=3 457 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,0,0,0,0,0|2,0,1]=4 458 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,0,0,0,0,0|2,0,1]=4 459 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,0,0,0,0,0|2,0,1]=4 460 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,0,0,0,0,0|2,0,1]=4 461 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,0,0,0,0,0|2,0,1]=4 462 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,0,0,0,0,0|2,0,1]=4 463 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,0,0,0,0,0|2,0,1]=4 464 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,0,0,0,0,0|2,0,1]=4 465 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,0,0,0,0,0|2,0,1]=4 466 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,0,0,0,0,0|2,0,1]=4 467 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,0,0,0,0,0|2,0,1]=4 468 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,0,0,0,0,0|2,0,1]=4 469 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,0,0,0,0,0|2,0,1]=4 470 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,0,0,0,0,0|2,0,1]=4 471 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,0,0,0,0,0|2,0,1]=4 472 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,0,0,0,0,0|2,0,1]=4 473 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,0,0,0,0,0|2,0,1]=4 474 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,0,0,0,0,0|2,0,1]=4 475 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,0,0,0,0,0|2,0,1]=4 476 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,0,0,0,0,0|2,0,1]=4 477 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,0,0,0,0,0|1,0,1]=3 478 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,1]=3 479 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,0,0,0,0,0|2,0,1]=4 480 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,0,0,0,0,0|2,0,1]=4 481 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,0,0,0,0,0|2,0,1]=4 482 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,0,0,0,0,0|2,0,1]=4 483 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,0,0,0,0,0|2,0,1]=4 484 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,0,0,0,0,0|2,0,1]=4 485 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,0,0,0,0,0|2,0,1]=4 486 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,0,0,0,0,0|2,0,1]=4 487 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,0,0,0,0,0|2,0,1]=4 488 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,0,0,0,0,0|2,0,1]=4 489 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,0,0,0,0,0|2,0,1]=4 490 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,0,0,0,0,0|2,0,1]=4 491 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,0,0,0,0,0|2,0,1]=4 492 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,0,0,0,0,0|2,0,1]=4 493 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [1,0,0,0,0,0|2,0,1]=4 494 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,0,0,0,0,0|2,0,1]=4 495 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,0,0,0,0,0|2,0,1]=4 496 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,0,0,0,0,0|1,0,1]=3 497 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,0,0,0,0,0|1,0,1]=3 498 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,0,0,0,0,0|1,0,1]=3 499 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,0,0,0,0,0|2,0,1]=4 500 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,0,0,0,0,0|2,0,1]=4 501 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,0,0,0,0,0|2,0,1]=4 503 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,0,0,0,0,0|2,0,1]=4 504 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,0,0,0,0,0|2,0,1]=4 505 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,0,0,0,0,0|2,0,1]=4 506 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,0,0,0,0,0|2,0,1]=4 507 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,0,0,0,0,0|2,0,1]=4 508 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,0,0,0,0,0|2,0,1]=4 509 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,0,0,0,0,0|1,0,1]=3 510 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,0,0,0,0,0|2,0,1]=4 511 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,0,0,0,0,0|2,0,1]=4 512 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,0,0,0,0,0|2,0,1]=4 513 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,0,0,0,0,0|2,0,1]=4 514 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,0,0,0,0,0|2,0,1]=4 515 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,0,0,0,0,0|2,0,1]=4 516 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,0,0,0,0,0|1,0,1]=3 517 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,0,0,0,0,0|1,0,1]=3 518 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,0,0,0,0,0|2,0,1]=4 519 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,0,0,0,0,0|2,0,1]=4 520 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,0,0,0,0,0|2,0,1]=4 522 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,0,0,0,0,0|2,0,1]=4 524 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,0,0,0,0,0|2,0,1]=4 525 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,0,0,0,0,0|2,0,1]=4 526 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [1,0,0,0,0,0|2,0,1]=4 527 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [1,0,0,0,0,0|2,0,1]=4 528 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,0,0,0,0,0|2,0,1]=4 529 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,0,0,0,0,0|1,0,1]=3 531 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,0,0,0,0,0|1,0,1]=3 532 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,0,0,0,0,0|1,0,1]=3 533 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,0,0,0,0,0|1,0,1]=3 534 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,0,0,0,0,0|1,0,1]=3 535 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,0,0,0,0,0|1,0,1]=3 536 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,0,0,0,0,0|2,0,1]=4 537 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,0,0,0,0,0|2,0,1]=4 538 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,0,0,0,0,0|2,0,1]=4 539 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,0,0,0,0,0|2,0,1]=4 540 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,0,0,0,0,0|2,0,1]=4 541 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,0,0,0,0,0|2,0,1]=4 543 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [1,0,0,0,0,0|2,0,1]=4 544 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [1,0,0,0,0,0|2,0,1]=4 545 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,0,0,0,0,0|2,0,1]=4 546 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,0,0,0,0,0|2,0,1]=4 547 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,0,0,0,0,0|2,0,1]=4 548 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,0,0,0,0,0|2,0,1]=4 549 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,0,0,0,0,0|1,0,1]=3 550 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,0,0,0,0,0|2,0,1]=4 551 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [1,0,0,0,0,0|2,0,1]=4 552 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,0,0,0,0,0|2,0,1]=4 553 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,0,0,0,0,0|1,0,1]=3 554 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,0,0,0,0,0|2,0,0]=3 555 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [1,0,0,0,0,0|3,0,0]=4 556 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,0,0,0,0|1,0,0]=2 557 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,0,0,0,0|1,0,1]=3 558 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,0,0,0,0,0|2,0,1]=4 559 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,0,0,0,0,0|2,0,1]=4 560 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,0,0,0,0,0|1,0,1]=3 561 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,0,0,0,0,0|2,0,1]=4 562 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,0,0,0,0,0|2,0,1]=4 563 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,0,0,0,0,0|2,0,1]=4 564 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,0,0,0,0,0|2,0,1]=4 566 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,0,0,0,0,0|2,0,1]=4 567 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,0,0,0,0,0|2,0,1]=4 568 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,0,0,0,0,0|2,0,1]=4 569 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,0,0,0,0,0|2,0,1]=4 570 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,0,0,0,0,0|2,0,1]=4 571 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,1]=3 572 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,0,0,0,0,0|2,0,1]=4 573 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,0,0,0,0,0|2,0,1]=4 574 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,0,0,0,0,0|2,0,1]=4 575 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,0,0,0,0,0|2,0,1]=4 576 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,0,0,0,0,0|2,0,1]=4 577 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,0,0,0,0,0|2,0,1]=4 578 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,0,0,0,0,0|2,0,1]=4 581 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,0,0,0,0,0|2,0,1]=4 582 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,0,0,0,0,0|2,0,1]=4 583 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,0,0,0,0,0|2,0,1]=4 584 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,0,0,0,0,0|2,0,1]=4 585 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,0,0,0,0,0|2,0,1]=4 586 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,0,0,0,0,0|2,0,1]=4 587 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,0,0,0,0,0|2,0,1]=4 588 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,0,0,0,0,0|2,0,1]=4 589 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [1,0,0,0,0,0|3,0,0]=4 590 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,0,0,0,0,0|1,0,2]=4 591 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,0,0,0,0,0|1,0,2]=4 592 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [1,0,0,0,0,0|1,0,2]=4 593 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [1,0,0,0,0,0|1,0,2]=4 594 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|1,0,0]=2 597 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|2,0,0]=3 599 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|2,0,0]=3 600 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|1,0,0]=2 601 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|1,0,0]=2 602 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,0,0,0,0,0|2,0,0]=3 603 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|1,0,0]=2 604 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|0,0,0]=1 605 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|0,0,0]=1 606 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|0,0,0]=1 607 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|0,0,0]=1 608 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|0,0,0]=1 609 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|0,1,0]=2 610 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|0,1,0]=2 611 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|0,1,0]=2 612 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|0,1,0]=2 613 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|0,1,0]=2 614 B10R1.3 C=Cc1ccc(cn1)C#N 271570a_100011290941_100000241038 [1,0,0,0,0,0|3,0,0]=4 615 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,0,0,0,0,0|3,0,0]=4 616 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|2,0,0]=3 617 B10R1.3 C=Cc1ccc(cn1)CN 271570a_100011290941_100009817727 [1,0,0,0,0,0|3,0,0]=4 618 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,0,0,0,0,0|3,0,0]=4 619 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [1,0,0,0,0,0|2,0,0]=3 620 B10R1.3 C=Cc1ccc(cn1)NN 271570a_100011290941_100000119030 [1,0,0,0,0,0|3,0,0]=4 621 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,0,0,0,0,0|1,0,0]=2 622 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [1,0,0,0,0,0|1,1,0]=3 623 B10R1.3 C=Cc1ccc(nc1)C#N 271570a_100011290941_100000760455 [1,0,0,0,0,0|3,0,0]=4 624 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,0,0,0,0,0|3,0,0]=4 625 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|2,0,0]=3 626 B10R1.3 C=Cc1ccc(nc1)CN 271570a_100011290941_100015188789 [1,0,0,0,0,0|3,0,0]=4 627 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [1,0,0,0,0,0|2,0,0]=3 629 B10R1.3 C=Cc1ccc(nc1)NN 271570a_100011290941_100000750576 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,0,0,0,0,0|1,0,0]=2 631 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [1,0,0,0,0,0|1,1,0]=3 632 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [1,0,0,0,0,0|1,1,0]=3 633 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [1,0,0,0,0,0|1,1,0]=3 634 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [1,0,0,0,0,0|1,1,0]=3 635 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [1,0,0,0,0,0|1,1,0]=3 636 B10R1.3 C=Cc1ccc(nn1)NC 271570a_100011290941_100000215272 [1,0,0,0,0,0|3,0,0]=4 637 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [1,0,0,0,0,0|2,0,0]=3 638 B10R1.3 C=Cc1cnc(cn1)NC 271570a_100011290941_100012000640 [1,0,0,0,0,0|3,0,0]=4 639 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [1,0,0,0,0,0|2,0,0]=3 640 B10R1.3 C=Cc1cnc(cn1)SC 271570a_100011290941_200012356277 [1,0,0,0,0,0|2,1,0]=4 641 B10R1.3 C=Cc1cnc(nc1)NC 271570a_100011290941_100000697329 [1,0,0,0,0,0|3,0,0]=4 642 B10R1.3 C=Cc1cnc(nc1)NC 27a_100102657272_200000143982 [1,0,0,0,0,0|3,0,0]=4 643 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [1,0,0,0,0,0|2,0,0]=3 644 B10R1.3 C=Cc1cnc(nc1)SC 271570a_100011290941_100000722549 [1,0,0,0,0,0|2,1,0]=4 645 B10R1.3 C=Cc1cnc(nc1)SC 62a_200000143982_200000210301 [1,0,0,0,0,0|2,1,0]=4 646 B10R1.3 C=Cc1cnc(nc1)SC 62a_200000210301_200000143982 [1,0,0,0,0,0|2,1,0]=4 647 B10R1.3 C=Cc1cnc(nc1)S[13CH3] 62a_200000143982_200025704644 [1,0,0,0,0,0|2,1,0]=4 648 B10R1.3 C=Cc1cnc(nc1)S[13CH3] 62a_200025704644_200000143982 [1,0,0,0,0,0|2,1,0]=4 649 B10R1.3 C=Cc1ncc(cn1)CC 271570a_100011290941_100000033099 [1,0,0,0,0,0|3,0,0]=4 650 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [1,0,0,0,0,0|2,0,0]=3 651 B10R1.3 C=Cc1ncc(cn1)SC 271570a_100011290941_100000718988 [1,0,0,0,0,0|2,1,0]=4 652 B10R1.3 C=Cc1ncc(cn1)SC 62a_100010269754_200000210301 [1,0,0,0,0,0|2,1,0]=4 653 B10R1.3 C=Cc1ncc(cn1)SC 62a_200000210301_100010269754 [1,0,0,0,0,0|2,1,0]=4 654 B10R1.3 C=Cc1ncc(cn1)S[13CH3] 62a_100010269754_200025704644 [1,0,0,0,0,0|2,1,0]=4 655 B10R1.3 C=Cc1ncc(cn1)S[13CH3] 62a_200025704644_100010269754 [1,0,0,0,0,0|2,1,0]=4 656 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|1,0,1]=3 657 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|1,0,1]=3 658 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|1,0,1]=3 659 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|1,0,1]=3 660 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|0,0,1]=2 661 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|0,0,1]=2 662 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|0,0,1]=2 663 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|0,0,1]=2 664 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|0,1,1]=3 665 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|0,1,1]=3 666 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|0,1,1]=3 667 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|0,1,1]=3 668 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [1,0,0,0,0,0|1,1,1]=4 669 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [1,0,0,0,0,0|1,1,1]=4 670 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [1,0,0,0,0,0|1,1,1]=4 671 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [1,0,0,0,0,0|1,1,1]=4 672 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [1,0,0,0,0,0|1,1,1]=4 673 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [1,0,0,0,0,0|1,1,1]=4 674 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [1,0,0,0,0,0|1,1,1]=4 675 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [1,0,0,0,0,0|1,1,1]=4 676 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,0,0,0,0,0|2,0,1]=4 677 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|2,0,0]=3 678 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|2,0,0]=3 679 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,0,0,0,0|1,0,1]=3 680 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,0,0,0,0|1,0,1]=3 681 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,0,0,0,0|1,0,1]=3 682 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,0,0,0,0,0|1,1,1]=4 683 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,0,0,0,0,0|1,1,1]=4 684 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,0,0,0,0,0|1,1,1]=4 685 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,0,0,0,0,0|1,1,1]=4 686 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,0,0,0,0,0|1,1,1]=4 687 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 688 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 689 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,0]=2 690 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|1,0,0]=2 691 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,0,0,0,0|1,0,1]=3 692 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,0,0,0,0|1,0,1]=3 693 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,0,0,0,0|1,0,1]=3 694 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,0,0,0,0|1,0,1]=3 695 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,0,0,0,0|1,0,1]=3 696 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,0,0,0,0|1,0,1]=3 697 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|2,0,0]=3 698 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [1,0,0,0,0,0|2,0,1]=4 699 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [1,0,0,0,0,0|2,0,1]=4 700 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [1,0,0,0,0,0|2,0,1]=4 701 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [1,0,0,0,0,0|2,0,1]=4 702 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [1,0,0,0,0,0|2,0,1]=4 703 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 704 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 705 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|2,0,0]=3 706 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,0,0,0,0,0|2,0,0]=3 707 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [1,0,0,0,0,0|2,0,1]=4 708 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [1,0,0,0,0,0|2,0,1]=4 709 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [1,0,0,0,0,0|2,0,1]=4 710 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [1,0,0,0,0,0|2,0,1]=4 711 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [1,0,0,0,0,0|2,0,1]=4 712 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [1,0,0,0,0,0|2,0,1]=4 713 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [1,0,0,0,0,0|2,0,1]=4 714 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,0,0,0,0,0|1,1,1]=4 715 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|1,1,0]=3 716 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|1,1,0]=3 717 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|1,1,0]=3 718 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|1,1,0]=3 719 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|1,1,0]=3 720 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|1,1,0]=3 721 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|1,1,0]=3 722 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|1,1,0]=3 723 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|2,1,0]=4 724 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|2,1,0]=4 725 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,0,0,0,0,0|1,1,1]=4 726 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,0,0,0,0|1,0,1]=3 727 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,0,0,0,0,0|1,1,1]=4 728 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,0,0,0,0,0|1,1,1]=4 729 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,0,0,0,0,0|1,1,1]=4 730 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,0,0,0,0,0|1,1,1]=4 731 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,0,0,0,0|2,1,0]=4 732 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,0,0,0,0|2,1,0]=4 733 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [1,0,0,0,0,0|2,1,0]=4 734 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [1,0,0,0,0,0|2,1,0]=4 735 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [1,0,0,0,0,0|2,1,0]=4 736 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [1,0,0,0,0,0|2,1,0]=4 737 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,0,0,0,0|2,1,0]=4 738 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,0,0,0,0|2,1,0]=4 739 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [1,0,0,0,0,0|2,1,0]=4 740 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [1,0,0,0,0,0|2,1,0]=4 741 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [1,0,0,0,0,0|2,1,0]=4 742 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [1,0,0,0,0,0|2,1,0]=4 743 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,0,0,0,0,0|2,0,1]=4 744 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|2,0,0]=3 745 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|2,0,0]=3 746 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 747 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 748 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,0]=2 749 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|1,0,0]=2 750 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|2,0,0]=3 751 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 752 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 753 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|2,0,0]=3 754 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,0,0,0,0,0|2,0,0]=3 755 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,0,0,0,0,0|1,1,1]=4 756 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|1,1,0]=3 757 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|1,1,0]=3 758 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|1,1,0]=3 759 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|1,1,0]=3 760 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|1,1,0]=3 761 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|1,1,0]=3 762 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|1,1,0]=3 763 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|1,1,0]=3 764 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|2,1,0]=4 765 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|2,1,0]=4 766 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,0,0,0,0|2,1,0]=4 767 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,0,0,0,0|2,1,0]=4 768 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [1,0,0,0,0,0|2,1,0]=4 769 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [1,0,0,0,0,0|2,1,0]=4 770 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [1,0,0,0,0,0|2,1,0]=4 771 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [1,0,0,0,0,0|2,1,0]=4 772 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,0,0,0,0|2,1,0]=4 773 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,0,0,0,0|2,1,0]=4 774 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [1,0,0,0,0,0|2,1,0]=4 775 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [1,0,0,0,0,0|2,1,0]=4 776 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [1,0,0,0,0,0|2,1,0]=4 777 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [1,0,0,0,0,0|2,1,0]=4 778 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,1,0,0,0,0|1,0,2]=4 779 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,1,0,0,0,0|1,0,2]=4 780 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,1,0,0,0,0|1,0,2]=4 781 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,1,0,0,0,0|1,0,2]=4 782 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,1,0,0,0,0|1,0,2]=4 783 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,1,0,0,0,0|2,0,1]=4 784 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,1,0,0,0,0|2,0,1]=4 785 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,1,0,0,0,0|2,0,1]=4 786 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,1,0,0,0,0|2,0,1]=4 787 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,0,0,0,0|2,0,1]=4 789 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,0,0,0,0|0,0,1]=2 790 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,0,0,0,0|0,0,1]=2 791 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,1,0,0,0,0|0,1,1]=3 792 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,1,0,0,0,0|0,1,1]=3 793 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,0,0|1,0,1]=3 795 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,0,0|1,0,1]=3 796 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,1,0,0,0,0|1,1,1]=4 797 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,1,0,0,0,0|2,0,1]=4 798 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,1,0,0,0,0|2,0,1]=4 799 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,1,0,0,0,0|1,1,1]=4 800 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,1,0,0,0,0|1,1,1]=4 801 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,1,0,0,0,0|1,1,1]=4 802 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,1,0,0,0,0|1,0,2]=4 803 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,1,0,0,0,0|1,0,2]=4 804 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,1,0,0,0,0|0,1,2]=4 805 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,1,0,0,0,0|0,1,2]=4 806 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,1,0,0,0,0|1,0,2]=4 807 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,1,0,0,0,0|1,0,2]=4 808 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|0,0,2]=3 809 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,1,0,0,0,0|1,0,2]=4 810 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,1,0,0,0,0|1,0,1]=3 811 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,1,0,0,0,0|1,0,1]=3 812 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,1,0,0,0,0|1,0,1]=3 813 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,1,0,0,0,0|2,0,1]=4 814 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,1,0,0,0,0|2,0,1]=4 819 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,1,0,0,0,0|2,0,1]=4 820 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,1,0,0,0,0|1,1,1]=4 825 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,1,0,0,0,0|1,1,1]=4 826 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,1,0,0,0,0|1,0,2]=4 827 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,1,0,0,0,0|2,0,0]=3 828 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,1,0,0,0,0|1,0,2]=4 830 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,1,0,0,0,0|1,0,2]=4 831 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,1,0,0,0,0|0,0,2]=3 833 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,0,0,0,0|0,0,1]=2 834 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,0,0,0,0|0,0,1]=2 835 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,0,0,0,0|0,0,1]=2 836 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,0,0,0,0|1,0,0]=2 837 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,0,0,0,0|0,0,1]=2 838 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,1,0,0,0,0|0,0,2]=3 839 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,1,0,0,0,0|1,0,1]=3 840 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,1,0,0,0,0|1,0,1]=3 841 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,1,0,0,0,0|1,0,1]=3 842 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,1,0,0,0,0|1,0,1]=3 843 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,1,0,0,0,0|1,0,1]=3 844 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,1,0,0,0,0|1,0,1]=3 845 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,1,0,0,0,0|1,0,1]=3 846 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,0,0|1,0,1]=3 847 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,0,0|1,0,1]=3 848 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,0,0|1,0,1]=3 849 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,0,0|1,0,1]=3 850 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,0,0|1,0,1]=3 851 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,0,0|1,0,1]=3 852 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,1,0,0,0,0|1,0,2]=4 853 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,1,0,0,0,0|1,0,2]=4 854 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,1,0,0,0,0|1,0,2]=4 855 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,1,0,0,0,0|1,0,2]=4 856 B12R1.4 COc1ccc(cc1)OC(F)F 34a_100011217645_200000210301 [0,1,0,0,0,0|2,0,1]=4 857 B12R1.4 COc1ccc(cc1)OC(F)F 7a_100011217645_200000210301 [0,1,0,0,0,0|2,0,1]=4 858 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,1,0,0,0,0|1,0,2]=4 859 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [0,1,0,0,0,0|1,0,2]=4 860 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,1,0,0,0,0|1,0,1]=3 861 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,1,0,0,0,0|1,0,1]=3 862 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,1,0,0,0,0|1,0,1]=3 863 B12R1.4 COc1ccc(cn1)CN(C)C 2230a_100102631434_100020631284 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.4 COc1ccc(cn1)CN(C)C 269982a_100102631434_100020631284 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.4 COc1ccc(cn1)CN(C)C 270004a_100102631434_100000761633 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [0,1,0,0,0,0|1,0,2]=4 867 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,1,0,0,0,0|1,0,1]=3 868 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,1,0,0,0,0|1,0,1]=3 869 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,1,0,0,0,0|1,0,1]=3 870 B12R1.4 COc1ccc(nc1)CN(C)C 2230a_100102631434_200000757186 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.4 COc1ccc(nc1)CN(C)C 269982a_100102631434_200000757186 [0,1,0,0,0,0|2,0,1]=4 872 B12R1.4 COc1ccc(nc1)CN(C)C 270004a_100102631434_100000701244 [0,1,0,0,0,0|2,0,1]=4 873 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,1,0,0,0,0|2,0,1]=4 874 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,1,0,0,0,0|2,0,1]=4 875 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [0,1,0,0,0,0|1,1,1]=4 876 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [0,1,0,0,0,0|1,1,1]=4 877 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,1,0,0,0,0|0,1,2]=4 878 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [0,1,0,0,0,0|1,1,1]=4 879 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [0,1,0,0,0,0|1,1,1]=4 880 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,1,0,0,0,0|0,1,1]=3 881 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,1,0,0,0,0|0,1,1]=3 882 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,1,0,0,0,0|0,1,1]=3 883 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,1,0,0,0,0|0,1,1]=3 884 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,1,0,0,0,0|1,1,0]=3 885 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,1,0,0,0,0|1,1,0]=3 886 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,1,0,0,0,0|0,1,1]=3 887 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,1,0,0,0,0|0,1,2]=4 888 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,1,0,0,0,0|0,1,2]=4 889 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,1,0,0,0,0|1,1,1]=4 890 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,1,0,0,0,0|1,1,1]=4 891 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,1,0,0,0,0|1,1,1]=4 892 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,1,0,0,0,0|1,1,1]=4 893 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,1,0,0,0,0|1,1,1]=4 894 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,1,0,0,0,0|1,1,1]=4 895 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,1,0,0,0,0|1,1,1]=4 896 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,1,0,0,0,0|1,1,1]=4 897 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,1,0,0,0,0|1,1,1]=4 898 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,1,0,0,0,0|1,1,1]=4 899 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,1,0,0,0,0|1,1,1]=4 900 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,1,0,0,0,0|1,1,1]=4 901 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,1,0,0,0,0|1,1,1]=4 902 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,1,0,0,0,0|2,1,0]=4 903 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,1,0,0,0,0|1,1,1]=4 904 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,1,0,0,0,0|1,1,1]=4 905 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,1,0,0,0,0|1,1,1]=4 906 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,1,0,0,0,0|2,1,0]=4 907 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,1,0,0,0,0|2,1,0]=4 908 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,1,0,0,0,0|2,1,0]=4 909 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,1,0,0,0,0|2,1,0]=4 910 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,1,0,0,0,0|2,0,1]=4 911 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,1,0,0,0,0|2,0,0]=3 913 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,1,0,0,0,0|2,0,0]=3 914 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,0,0,0,0|1,0,0]=2 915 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 34a_100011217645_200025704644 [0,1,0,0,0,0|2,0,1]=4 916 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 7a_100011217645_200025704644 [0,1,0,0,0,0|2,0,1]=4 917 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [0,1,0,0,0,0|1,1,1]=4 918 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [0,1,0,0,0,0|1,1,1]=4 919 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [0,1,0,0,0,0|1,1,1]=4 920 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [0,1,0,0,0,0|1,1,1]=4 921 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,1,0,0,0,0|1,1,0]=3 922 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,1,0,0,0,0|1,1,0]=3 923 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,1,0,0,0,0|2,1,0]=4 924 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,1,0,0,0,0|2,1,0]=4 925 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,1,0,0,0,0|2,1,0]=4 926 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,1,0,0,0,0|2,1,0]=4 927 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,1,0,0,0,0|2,1,0]=4 928 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|2,0,1]=4 929 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 930 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 931 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,1,0,0,0,0|1,1,1]=4 932 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,1,0,0,0,0|1,1,1]=4 933 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|1,0,1]=3 934 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,1,0,0,0,0|0,0,3]=4 935 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,1,0,0,0,0|0,0,3]=4 936 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,1,0,0,0,0|0,0,3]=4 937 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,1,0,0,0,0|0,0,3]=4 938 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,1,0,0,0,0|0,0,3]=4 939 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,1,0,0,0,0|1,0,2]=4 940 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,1,0,0,0,0|1,0,2]=4 941 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,1,0,0,0,0|1,0,2]=4 942 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,1,0,0,0,0|1,0,2]=4 943 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,1,0,0,0,0|1,0,2]=4 944 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,1,0,0,0,0|1,0,2]=4 945 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|0,0,2]=3 946 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|0,0,2]=3 947 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|0,0,2]=3 948 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|0,0,2]=3 949 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,1,0,0,0,0|0,1,2]=4 950 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,1,0,0,0,0|0,1,2]=4 951 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,1,0,0,0,0|0,1,2]=4 952 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,1,0,0,0,0|0,1,2]=4 953 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|0,0,2]=3 954 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|0,0,2]=3 955 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|0,1,2]=4 956 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|0,1,2]=4 957 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|0,1,2]=4 958 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|0,1,2]=4 959 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,1,0,0,0,0|1,0,2]=4 960 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,1,0,0,0,0|1,0,2]=4 961 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,1,0,0,0,0|1,0,2]=4 962 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,1,0,0,0,0|0,1,2]=4 963 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,1,0,0,0,0|0,1,2]=4 964 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,1,0,0,0,0|0,1,2]=4 965 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,1,0,0,0,0|0,1,2]=4 966 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,1,0,0,0,0|2,0,1]=4 967 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,1,0,0,0,0|2,0,1]=4 968 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,1,0,0,0,0|2,0,1]=4 969 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,1,0,0,0,0|2,0,1]=4 970 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,1,0,0,0,0|2,0,1]=4 971 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|2,0,1]=4 972 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|2,0,1]=4 974 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|2,0,1]=4 975 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,1,0,0,0,0|1,0,2]=4 976 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,1,0,0,0,0|1,0,2]=4 977 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,1,0,0,0,0|1,0,2]=4 978 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,1,0,0,0,0|1,0,2]=4 979 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,1,0,0,0,0|1,0,2]=4 980 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,1,0,0,0,0|1,0,2]=4 981 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,1,0,0,0,0|1,0,2]=4 982 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,1,0,0,0,0|1,0,2]=4 983 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|1,0,1]=3 984 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,1,0,0,0,0|1,1,1]=4 985 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,1,0,0,0,0|1,1,1]=4 986 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,1,0,0,0,0|1,1,1]=4 987 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,1,0,0,0,0|1,1,1]=4 988 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,1,0,0,0,0|1,1,1]=4 989 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,1,0,0,0,0|1,1,1]=4 990 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [0,1,0,0,0,0|2,0,1]=4 991 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|1,0,1]=3 992 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 993 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 994 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,1,0,0,0,0|2,0,1]=4 995 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,1,0,0,0,0|1,0,2]=4 996 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,1,0,0,0,0|1,0,2]=4 997 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,1,0,0,0,0|1,0,2]=4 998 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,1,0,0,0,0|1,0,2]=4 999 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|1,0,1]=3 1000 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|1,0,1]=3 1001 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,1,0,0,0,0|1,1,1]=4 1002 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,1,0,0,0,0|1,1,1]=4 1003 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,1,0,0,0,0|1,1,1]=4 1004 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,1,0,0,0,0|1,1,1]=4 1005 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|2,0,1]=4 1006 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,0,0,0,0|2,0,1]=4 1007 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,1,0,0,0,0|1,0,2]=4 1008 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,1,0,0,0,0|1,0,2]=4 1009 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,1,0,0,0,0|1,0,2]=4 1010 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,1,0,0,0,0|1,0,2]=4 1011 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,1,0,0,0,0|1,0,2]=4 1012 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,1,0,0,0,0|2,0,1]=4 1013 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|1,0,1]=3 1014 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|1,0,1]=3 1015 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|1,0,1]=3 1016 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|1,0,1]=3 1017 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|1,0,1]=3 1018 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|1,0,1]=3 1019 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|1,0,1]=3 1020 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|1,0,1]=3 1021 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|1,0,1]=3 1024 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,1,0,0,0,0|1,1,1]=4 1025 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,1,0,0,0,0|1,1,1]=4 1026 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,1,0,0,0,0|1,1,1]=4 1027 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,1,0,0,0,0|1,1,1]=4 1028 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,1,0,0,0,0|1,1,1]=4 1029 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_106722365845_200000210301 [0,1,0,0,0,0|1,1,1]=4 1030 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_200000210301_106722365845 [0,1,0,0,0,0|1,1,1]=4 1031 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,1,0,0,0,0|1,1,1]=4 1032 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,1,0,0,0,0|1,1,1]=4 1033 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|1,1,1]=4 1034 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|1,1,1]=4 1035 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|1,1,1]=4 1036 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|1,1,1]=4 1037 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,0,0,0,0|2,0,1]=4 1038 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,1,0,0,0,0|1,0,2]=4 1039 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,1,0,0,0,0|1,0,2]=4 1040 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,1,0,0,0,0|1,0,2]=4 1041 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,1,0,0,0,0|1,0,2]=4 1042 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,1,0,0,0,0|2,0,1]=4 1043 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|1,0,1]=3 1044 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,1,0,0,0,0|1,1,1]=4 1045 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,1,0,0,0,0|1,1,1]=4 1046 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_106722365845_200025704644 [0,1,0,0,0,0|1,1,1]=4 1047 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_200025704644_106722365845 [0,1,0,0,0,0|1,1,1]=4 1048 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,1,0,0,0,0|1,1,1]=4 1049 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,1,0,0,0,0|1,1,1]=4 1050 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|1,1,1]=4 1051 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|1,1,1]=4 1052 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|1,1,1]=4 1053 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|1,1,1]=4 1054 B12R1.71 C#CCNc1ccc(cc1)CC 2230a_100000211069_100000038162 [0,1,0,0,0,0|1,0,2]=4 1055 B12R1.71 C#CCNc1ccc(cc1)CC 34a_100000211069_100000184674 [0,1,0,0,0,0|1,0,2]=4 1056 B12R1.71 C#CCNc1ccc(cc1)OC 34a_100000184247_100000184674 [0,1,0,0,0,0|0,0,2]=3 1057 B12R1.71 C#CCNc1ccc(cc1)SC 34a_100000212337_100000184674 [0,1,0,0,0,0|0,1,2]=4 1058 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,1,0,0,0,0|1,0,2]=4 1059 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,1,0,0,0,0|1,0,2]=4 1060 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,1,0,0,0,0|1,0,2]=4 1061 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,1,0,0,0,0|1,0,2]=4 1062 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,1,0,0,0,0|1,0,2]=4 1063 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,1,0,0,0,0|1,0,2]=4 1064 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,1,0,0,0,0|1,0,2]=4 1065 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,1,0,0,0,0|0,0,2]=3 1066 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,1,0,0,0,0|0,1,2]=4 1067 B12R1.71 C#CCOc1ccc(cn1)OC 34a_100012002028_100000184674 [0,1,0,0,0,0|1,0,2]=4 1068 B12R1.71 C#CCOc1ccc(nc1)OC 34a_100011934560_100000184674 [0,1,0,0,0,0|1,0,2]=4 1069 B12R1.71 C#CCSc1ccc(cc1)CC 62a_100000038162_100011215824 [0,1,0,0,0,0|1,0,2]=4 1070 B12R1.71 C#CCSc1ccc(cc1)NC 62a_100000038162_100000743151 [0,1,0,0,0,0|1,0,2]=4 1071 B12R1.71 C#CCSc1ccc(cc1)OC 62a_100000038162_100000171711 [0,1,0,0,0,0|0,0,2]=3 1072 B12R1.71 C#CCSc1ccc(cc1)SC 62a_100000038162_100011263217 [0,1,0,0,0,0|0,1,2]=4 1073 B12R1.71 C#CCSc1ccc(cn1)OC 62a_100000038162_100000744180 [0,1,0,0,0,0|1,0,2]=4 1074 B12R1.71 C#CCSc1ccc(nc1)OC 62a_100000038162_100000047065 [0,1,0,0,0,0|1,0,2]=4 1075 B12R1.71 C#Cc1ccc(cc1)NCC=C 34a_100011215031_100015514636 [0,1,0,0,0,0|1,0,1]=3 1076 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,1,0,0,0,0|2,0,1]=4 1077 B12R1.71 C#Cc1ccc(nc1)OCC=C 34a_200009884252_100015514636 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.71 C=CCNc1ccc(cc1)C#N 34a_100000185469_100015514636 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.71 C=CCNc1ccc(cc1)C=C 34a_100011218248_100015514636 [0,1,0,0,0,0|1,0,1]=3 1080 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,1,0,0,0,0|1,0,0]=2 1081 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,1,0,0,0,0|1,0,0]=2 1082 B12R1.71 C=CCNc1ccc(cc1)CO 2230a_100011215238_100000210623 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.71 C=CCNc1ccc(cc1)CO 34a_100011215238_100015514636 [0,1,0,0,0,0|2,0,0]=3 1084 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,1,0,0,0,0|0,0,0]=1 1085 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,1,0,0,0,0|0,1,0]=2 1086 B12R1.71 C=CCNc1ccc(cn1)C#N 27a_100020586998_100000241038 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.71 C=CCNc1ccc(cn1)SC 27a_100020586998_100009820866 [0,1,0,0,0,0|1,1,0]=3 1088 B12R1.71 C=CCNc1ccc(nn1)OC 27a_100020586998_100010231723 [0,1,0,0,0,0|2,0,0]=3 1089 B12R1.71 C=CCNc1cnc(cn1)SC 27a_100020586998_200012356277 [0,1,0,0,0,0|2,1,0]=4 1090 B12R1.71 C=CCNc1ncc(cn1)CC 27a_100020586998_100000033099 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.71 C=CCNc1ncc(cn1)OC 27a_100020586998_100000069167 [0,1,0,0,0,0|2,0,0]=3 1092 B12R1.71 C=CCNc1ncc(cn1)SC 27a_100020586998_100000718988 [0,1,0,0,0,0|2,1,0]=4 1093 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,1,0,0,0,0|1,0,1]=3 1096 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,1,0,0,0,0|1,0,1]=3 1097 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,1,0,0,0,0|1,0,1]=3 1098 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,1,0,0,0,0|1,0,0]=2 1099 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,1,0,0,0,0|1,0,0]=2 1100 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,1,0,0,0,0|2,0,0]=3 1102 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,1,0,0,0,0|1,0,0]=2 1103 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,1,0,0,0,0|0,0,0]=1 1104 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,1,0,0,0,0|0,1,0]=2 1105 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,1,0,0,0,0|0,1,0]=2 1106 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,1,0,0,0,0|0,1,0]=2 1107 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,1,0,0,0,0|0,1,0]=2 1108 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,1,0,0,0,0|0,1,0]=2 1109 B12R1.71 C=CCOc1ccc(cn1)CN 34a_100000757128_100015514636 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,1,0,0,0,0|1,0,0]=2 1111 B12R1.71 C=CCOc1ccc(nc1)C#N 34a_100011934750_100015514636 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.71 C=CCOc1ccc(nc1)C#N 7a_100011934750_100015514636 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.71 C=CCOc1ccc(nc1)CN 34a_100020605196_100015514636 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.71 C=CCOc1ccc(nc1)CO 34a_103436540053_100015514636 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,1,0,0,0,0|1,0,0]=2 1116 B12R1.71 C=CCOc1cnc(nc1)OC 34a_100000099601_100015514636 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.71 C=CCOc1cnc(nc1)OC 7a_100000099601_100015514636 [0,1,0,0,0,0|2,0,0]=3 1118 B12R1.71 C=CCOc1cnc(nc1)SC 34a_100000075549_100015514636 [0,1,0,0,0,0|2,1,0]=4 1119 B12R1.71 C=CCOc1cnc(nc1)SC 7a_100000075549_100015514636 [0,1,0,0,0,0|2,1,0]=4 1120 B12R1.71 C=CCSc1ccc(cc1)C#N 62a_100000210623_100000184291 [0,1,0,0,0,0|2,0,0]=3 1121 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000210623_100000748128 [0,1,0,0,0,0|1,0,1]=3 1122 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000748128_100000210623 [0,1,0,0,0,0|1,0,1]=3 1123 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,1,0,0,0,0|2,0,0]=3 1124 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,1,0,0,0,0|2,0,0]=3 1125 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,1,0,0,0,0|1,0,0]=2 1126 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,1,0,0,0,0|1,0,0]=2 1127 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100000210623_100010268989 [0,1,0,0,0,0|2,0,0]=3 1128 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100010268989_100000210623 [0,1,0,0,0,0|2,0,0]=3 1129 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100000210623_100016989417 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100016989417_100000210623 [0,1,0,0,0,0|2,0,0]=3 1131 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000210623_100000690907 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000690907_100000210623 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,1,0,0,0,0|1,0,0]=2 1134 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,1,0,0,0,0|1,0,0]=2 1135 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100000210623_100016988836 [0,1,0,0,0,0|2,0,0]=3 1136 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100016988836_100000210623 [0,1,0,0,0,0|2,0,0]=3 1137 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,1,0,0,0,0|0,0,0]=1 1138 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,1,0,0,0,0|0,1,0]=2 1139 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,1,0,0,0,0|0,1,0]=2 1140 B12R1.71 C=CCSc1ccc(cn1)C#N 62a_100000210623_100000241038 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_100000210623_103436540071 [0,1,0,0,0,0|2,0,1]=4 1142 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_103436540071_100000210623 [0,1,0,0,0,0|2,0,1]=4 1143 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000210623_100000766901 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000766901_100000210623 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100000210623_100009843584 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100009843584_100000210623 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000210623_100000735879 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000735879_100000210623 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100000210623_100009816760 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100009816760_100000210623 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000210623_100000764248 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000764248_100000210623 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000210623_100000119030 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000755011_100000210623 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,1,0,0,0,0|1,0,0]=2 1156 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,1,0,0,0,0|1,0,0]=2 1157 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100000210623_100009820866 [0,1,0,0,0,0|1,1,0]=3 1158 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100009820866_100000210623 [0,1,0,0,0,0|1,1,0]=3 1159 B12R1.71 C=CCSc1ccc(nc1)C#N 62a_100000210623_100000760455 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000210623_100000754260 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000754260_100000210623 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100000210623_100009820025 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100009820025_100000210623 [0,1,0,0,0,0|2,0,0]=3 1164 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100000210623_100015188789 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100015188789_100000210623 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000210623_100000754261 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000754261_100000210623 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000210623_100000741341 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000741341_100000210623 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000210623_100000750576 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000750576_100000210623 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,1,0,0,0,0|1,0,0]=2 1173 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,1,0,0,0,0|1,0,0]=2 1174 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100000210623_100011408404 [0,1,0,0,0,0|1,1,0]=3 1175 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100011408404_100000210623 [0,1,0,0,0,0|1,1,0]=3 1176 B12R1.71 C=CCSc1ccc(nn1)NC 62a_100000210623_100000215272 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.71 C=CCSc1ccc(nn1)NC 62a_100000215272_100000210623 [0,1,0,0,0,0|3,0,0]=4 1178 B12R1.71 C=CCSc1ccc(nn1)OC 62a_100000210623_100009819040 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.71 C=CCSc1ccc(nn1)OC 62a_100009819040_100000210623 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.71 C=CCSc1cnc(cn1)NC 62a_100000210623_100012000640 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.71 C=CCSc1cnc(cn1)NC 62a_100012000640_100000210623 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.71 C=CCSc1cnc(cn1)OC 62a_100000210623_100011998698 [0,1,0,0,0,0|2,0,0]=3 1183 B12R1.71 C=CCSc1cnc(cn1)OC 62a_100011998698_100000210623 [0,1,0,0,0,0|2,0,0]=3 1184 B12R1.71 C=CCSc1cnc(cn1)SC 62a_100000210623_200012356277 [0,1,0,0,0,0|2,1,0]=4 1185 B12R1.71 C=CCSc1cnc(cn1)SC 62a_200012356277_100000210623 [0,1,0,0,0,0|2,1,0]=4 1186 B12R1.71 C=CCSc1cnc(nc1)NC 62a_100000210623_100000697329 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.71 C=CCSc1cnc(nc1)NC 62a_100000697329_100000210623 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.71 C=CCSc1cnc(nc1)OC 62a_100000210623_100000686852 [0,1,0,0,0,0|2,0,0]=3 1189 B12R1.71 C=CCSc1cnc(nc1)OC 62a_100000686852_100000210623 [0,1,0,0,0,0|2,0,0]=3 1190 B12R1.71 C=CCSc1cnc(nc1)SC 62a_100000210623_100000722549 [0,1,0,0,0,0|2,1,0]=4 1191 B12R1.71 C=CCSc1cnc(nc1)SC 62a_100000722549_100000210623 [0,1,0,0,0,0|2,1,0]=4 1192 B12R1.71 C=CCSc1ncc(cn1)CC 62a_100000033099_100000210623 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.71 C=CCSc1ncc(cn1)CC 62a_100000210623_100000033099 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.71 C=CCSc1ncc(cn1)OC 62a_100000069167_100000210623 [0,1,0,0,0,0|2,0,0]=3 1195 B12R1.71 C=CCSc1ncc(cn1)OC 62a_100000210623_100000069167 [0,1,0,0,0,0|2,0,0]=3 1196 B12R1.71 C=CCSc1ncc(cn1)SC 62a_100000210623_100000718988 [0,1,0,0,0,0|2,1,0]=4 1197 B12R1.71 C=CCSc1ncc(cn1)SC 62a_100000718988_100000210623 [0,1,0,0,0,0|2,1,0]=4 1198 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,1,0,0,0,0|1,0,2]=4 1199 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,1,0,0,0,0|2,0,1]=4 1200 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,1,0,0,0,0|2,0,1]=4 1201 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,1,0,0,0,0|2,0,1]=4 1202 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,1,0,0,0,0|2,0,1]=4 1203 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,1,0,0,0,0|2,0,1]=4 1204 B12R1.71 CC=NNc1ccc(cc1)CC 4a_100015204395_200000210099 [0,1,0,0,0,0|2,0,1]=4 1205 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,1,0,0,0,0|1,0,1]=3 1206 B12R1.71 CC=NNc1ccc(cc1)SC 4a_100000006515_200000210099 [0,1,0,0,0,0|1,1,1]=4 1207 B12R1.71 CC=NNc1ccc(nc1)OC 4a_100102564821_200000210099 [0,1,0,0,0,0|2,0,1]=4 1208 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,1,0,0,0,0|1,0,2]=4 1209 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,1,0,0,0,0|1,0,2]=4 1210 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,1,0,0,0,0|1,0,2]=4 1211 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,1,0,0,0,0|1,0,2]=4 1212 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,1,0,0,0,0|1,0,2]=4 1213 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,1,0,0,0,0|1,0,2]=4 1214 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,1,0,0,0,0|0,0,2]=3 1215 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,1,0,0,0,0|0,0,2]=3 1216 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,1,0,0,0,0|0,0,2]=3 1217 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,1,0,0,0,0|0,0,2]=3 1218 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,1,0,0,0,0|0,0,2]=3 1219 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,1,0,0,0,0|0,1,2]=4 1220 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,1,0,0,0,0|0,1,2]=4 1221 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,1,0,0,0,0|0,1,2]=4 1222 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,1,0,0,0,0|0,1,2]=4 1223 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,1,0,0,0,0|0,1,2]=4 1224 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [0,1,0,0,0,0|1,0,2]=4 1225 B12R1.71 CCCCc1ccc(nc1)OC 271570a_100020621405_100000047065 [0,1,0,0,0,0|1,0,2]=4 1226 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,1,0,0,0,0|1,0,2]=4 1227 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,1,0,0,0,0|1,0,2]=4 1228 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,1,0,0,0,0|0,0,2]=3 1229 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,1,0,0,0,0|0,1,2]=4 1230 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,1,0,0,0,0|1,0,2]=4 1231 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,1,0,0,0,0|1,0,2]=4 1232 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,1,0,0,0,0|1,0,2]=4 1233 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,1,0,0,0,0|1,0,2]=4 1234 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,1,0,0,0,0|1,0,2]=4 1235 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,1,0,0,0,0|0,0,2]=3 1236 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,1,0,0,0,0|0,0,2]=3 1237 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,1,0,0,0,0|0,0,2]=3 1238 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,1,0,0,0,0|0,0,2]=3 1239 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,1,0,0,0,0|0,0,2]=3 1240 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,1,0,0,0,0|0,1,2]=4 1241 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,1,0,0,0,0|0,1,2]=4 1242 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,1,0,0,0,0|0,1,2]=4 1243 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,1,0,0,0,0|0,1,2]=4 1244 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,1,0,0,0,0|0,1,2]=4 1245 B12R1.71 CCCOc1ccc(cn1)OC 34a_100012002028_100000210303 [0,1,0,0,0,0|1,0,2]=4 1246 B12R1.71 CCCOc1ccc(nc1)OC 34a_100011934560_100000210303 [0,1,0,0,0,0|1,0,2]=4 1247 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,1,0,0,0,0|1,0,2]=4 1248 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,1,0,0,0,0|1,0,2]=4 1249 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,1,0,0,0,0|1,0,2]=4 1250 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,1,0,0,0,0|1,0,2]=4 1251 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,1,0,0,0,0|1,0,2]=4 1252 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,1,0,0,0,0|1,0,2]=4 1253 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,1,0,0,0,0|1,0,2]=4 1254 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,1,0,0,0,0|1,0,2]=4 1255 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,1,0,0,0,0|0,0,2]=3 1256 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,1,0,0,0,0|0,1,2]=4 1257 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,1,0,0,0,0|0,1,2]=4 1258 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,1,0,0,0,0|0,1,2]=4 1259 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,1,0,0,0,0|0,1,2]=4 1260 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,1,0,0,0,0|0,1,2]=4 1261 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,1,0,0,0,0|0,1,2]=4 1262 B12R1.71 CCCSc1ccc(cn1)OC 62a_100000210303_100000744180 [0,1,0,0,0,0|1,0,2]=4 1263 B12R1.71 CCCSc1ccc(cn1)OC 62a_100000755202_100000210303 [0,1,0,0,0,0|1,0,2]=4 1264 B12R1.71 CCCSc1ccc(nc1)OC 62a_100000047065_100000210303 [0,1,0,0,0,0|1,0,2]=4 1265 B12R1.71 CCCSc1ccc(nc1)OC 62a_100000210303_100000047065 [0,1,0,0,0,0|1,0,2]=4 1266 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [0,1,0,0,0,0|1,0,2]=4 1267 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [0,1,0,0,0,0|1,0,2]=4 1268 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [0,1,0,0,0,0|1,0,2]=4 1269 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [0,1,0,0,0,0|1,0,2]=4 1270 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [0,1,0,0,0,0|1,0,2]=4 1271 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,1,0,0,0,0|0,0,2]=3 1272 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,1,0,0,0,0|0,0,2]=3 1273 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,1,0,0,0,0|0,0,2]=3 1274 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,1,0,0,0,0|0,0,2]=3 1275 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,1,0,0,0,0|0,0,2]=3 1276 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,1,0,0,0,0|0,0,2]=3 1277 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [0,1,0,0,0,0|0,1,2]=4 1278 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [0,1,0,0,0,0|0,1,2]=4 1279 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [0,1,0,0,0,0|0,1,2]=4 1280 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [0,1,0,0,0,0|0,1,2]=4 1281 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [0,1,0,0,0,0|0,1,2]=4 1282 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [0,1,0,0,0,0|0,1,2]=4 1283 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [0,1,0,0,0,0|0,1,2]=4 1284 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [0,1,0,0,0,0|0,1,2]=4 1285 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [0,1,0,0,0,0|0,1,2]=4 1286 B12R1.71 CCNCc1ccc(cn1)OC 207a_100015525214_100000701244 [0,1,0,0,0,0|1,0,2]=4 1287 B12R1.71 CCNCc1ccc(cn1)OC 2230a_100015525214_200000757186 [0,1,0,0,0,0|1,0,2]=4 1288 B12R1.71 CCNCc1ccc(cn1)OC 270004a_100015525214_100000701244 [0,1,0,0,0,0|1,0,2]=4 1289 B12R1.71 CCNCc1ccc(cn1)OC 34a_100000703904_100000210202 [0,1,0,0,0,0|1,0,2]=4 1290 B12R1.71 CCNCc1ccc(nc1)OC 207a_100015525214_100000761633 [0,1,0,0,0,0|1,0,2]=4 1291 B12R1.71 CCNCc1ccc(nc1)OC 2230a_100000241975_100000210202 [0,1,0,0,0,0|1,0,2]=4 1292 B12R1.71 CCNCc1ccc(nc1)OC 2230a_100015525214_100020631284 [0,1,0,0,0,0|1,0,2]=4 1293 B12R1.71 CCNCc1ccc(nc1)OC 270004a_100015525214_100000761633 [0,1,0,0,0,0|1,0,2]=4 1294 B12R1.71 CCOCc1ccc(cc1)CC 34a_100000702245_100000210202 [0,1,0,0,0,0|1,0,2]=4 1295 B12R1.71 CCOCc1ccc(cc1)CC 34a_100121572206_100000747183 [0,1,0,0,0,0|1,0,2]=4 1296 B12R1.71 CCOCc1ccc(cc1)CC 7a_100000702245_100000210202 [0,1,0,0,0,0|1,0,2]=4 1297 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,1,0,0,0,0|0,0,2]=3 1298 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,1,0,0,0,0|0,0,2]=3 1299 B12R1.71 CCOCc1ccc(cc1)SC 34a_100011215404_100000210202 [0,1,0,0,0,0|0,1,2]=4 1300 B12R1.71 CCOCc1ccc(cc1)SC 34a_100121572206_100000181263 [0,1,0,0,0,0|0,1,2]=4 1301 B12R1.71 CCOCc1ccc(cc1)SC 62a_100000758564_200000210301 [0,1,0,0,0,0|0,1,2]=4 1302 B12R1.71 CCOCc1ccc(cc1)SC 62a_200000210301_100000758564 [0,1,0,0,0,0|0,1,2]=4 1303 B12R1.71 CCOCc1ccc(cc1)SC 7a_100011215404_100000210202 [0,1,0,0,0,0|0,1,2]=4 1304 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_100000758564_200025704644 [0,1,0,0,0,0|0,1,2]=4 1305 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758564 [0,1,0,0,0,0|0,1,2]=4 1306 B12R1.71 CCOCc1ccc(cn1)OC 34a_100011998694_100000210202 [0,1,0,0,0,0|1,0,2]=4 1307 B12R1.71 CCOCc1ccc(cn1)OC 34a_100121572206_200000757186 [0,1,0,0,0,0|1,0,2]=4 1308 B12R1.71 CCOCc1ccc(nc1)OC 34a_100000763316_100000210202 [0,1,0,0,0,0|1,0,2]=4 1309 B12R1.71 CCOCc1ccc(nc1)OC 34a_100121572206_100020631284 [0,1,0,0,0,0|1,0,2]=4 1310 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000210202_100000747183 [0,1,0,0,0,0|1,0,2]=4 1311 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000757233_100000210202 [0,1,0,0,0,0|1,0,2]=4 1312 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,1,0,0,0,0|0,0,2]=3 1313 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000181263_100000210202 [0,1,0,0,0,0|0,1,2]=4 1314 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000210202_100000181263 [0,1,0,0,0,0|0,1,2]=4 1315 B12R1.71 CCSCc1ccc(cn1)OC 62a_100000210202_200000757186 [0,1,0,0,0,0|1,0,2]=4 1316 B12R1.71 CCSCc1ccc(cn1)OC 62a_200000757186_100000210202 [0,1,0,0,0,0|1,0,2]=4 1317 B12R1.71 CCSCc1ccc(nc1)OC 62a_100000210202_100020631284 [0,1,0,0,0,0|1,0,2]=4 1318 B12R1.71 CCSCc1ccc(nc1)OC 62a_100020631284_100000210202 [0,1,0,0,0,0|1,0,2]=4 1319 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,1,0,0,0,0|1,0,2]=4 1320 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,1,0,0,0,0|1,0,2]=4 1321 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,1,0,0,0,0|1,0,2]=4 1322 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,1,0,0,0,0|1,0,2]=4 1323 B12R1.71 CCc1ccc(cc1)CNCF 34a_100000721222_100015361967 [0,1,0,0,0,0|2,0,1]=4 1324 B12R1.71 CCc1ccc(cc1)COCF 34a_100000702245_100015361967 [0,1,0,0,0,0|2,0,1]=4 1325 B12R1.71 CCc1ccc(cc1)COCF 7a_100000702245_100015361967 [0,1,0,0,0,0|2,0,1]=4 1326 B12R1.71 CCc1ccc(cc1)CSCF 62a_100000757233_100015361967 [0,1,0,0,0,0|2,0,1]=4 1327 B12R1.71 CCc1ccc(cc1)CSCF 62a_100015361967_100000747183 [0,1,0,0,0,0|2,0,1]=4 1328 B12R1.71 CCc1ccc(cc1)NCC#N 2230a_100000211069_100011215382 [0,1,0,0,0,0|2,0,1]=4 1329 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,1,0,0,0,0|2,0,0]=3 1330 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,1,0,0,0,0|2,0,1]=4 1332 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,1,0,0,0,0|2,0,1]=4 1333 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,1,0,0,0,0|2,0,1]=4 1334 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,1,0,0,0,0|2,0,1]=4 1335 B12R1.71 CCc1ccc(cc1)NCOC 2230a_100000211069_100000766300 [0,1,0,0,0,0|2,0,1]=4 1336 B12R1.71 CCc1ccc(cc1)NCSC 2230a_100000211069_100011218213 [0,1,0,0,0,0|2,0,1]=4 1337 B12R1.71 CCc1ccc(cc1)NCSC 34a_100000211069_100011218213 [0,1,0,0,0,0|2,0,1]=4 1338 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,1,0,0,0,0|2,0,1]=4 1339 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,1,0,0,0,0|2,0,0]=3 1340 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,1,0,0,0,0|2,0,0]=3 1341 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,1,0,0,0,0|2,0,1]=4 1342 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,1,0,0,0,0|2,0,1]=4 1343 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,1,0,0,0,0|2,0,1]=4 1344 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,1,0,0,0,0|2,0,1]=4 1345 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,1,0,0,0,0|2,0,1]=4 1346 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215382_100011215824 [0,1,0,0,0,0|2,0,1]=4 1347 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215824_100011215382 [0,1,0,0,0,0|2,0,1]=4 1348 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,1,0,0,0,0|2,0,1]=4 1351 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,1,0,0,0,0|2,0,1]=4 1352 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,1,0,0,0,0|2,0,1]=4 1353 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,1,0,0,0,0|2,0,1]=4 1354 B12R1.71 CCc1ccc(cc1)SCOC 62a_100000766300_100011215824 [0,1,0,0,0,0|2,0,1]=4 1355 B12R1.71 CCc1ccc(cc1)SCOC 62a_100011215824_100000766300 [0,1,0,0,0,0|2,0,1]=4 1356 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011215824_100011218213 [0,1,0,0,0,0|2,0,1]=4 1357 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011218213_100011215824 [0,1,0,0,0,0|2,0,1]=4 1358 B12R1.71 CCc1ccc(cn1)SCC=O 62a_100009820025_200015260668 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.71 CCc1ccc(cn1)SCC=O 62a_200015260668_100009820025 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.71 CCc1ccc(nc1)SCC=O 62a_100009843584_200015260668 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.71 CCc1ccc(nc1)SCC=O 62a_200015260668_100009843584 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,1,0,0,0,0|0,0,2]=3 1363 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,1,0,0,0,0|0,0,2]=3 1364 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,1,0,0,0,0|0,0,2]=3 1365 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,1,0,0,0,0|0,0,2]=3 1366 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,1,0,0,0,0|0,0,2]=3 1367 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,1,0,0,0,0|0,0,2]=3 1368 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,1,0,0,0,0|0,0,2]=3 1369 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,1,0,0,0,0|0,0,2]=3 1370 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,1,0,0,0,0|0,1,2]=4 1371 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,1,0,0,0,0|0,1,2]=4 1372 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,1,0,0,0,0|0,1,2]=4 1373 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,1,0,0,0,0|0,1,2]=4 1374 B12R1.71 CNCCc1ccc(nc1)OC 2230a_100011998949_200000210301 [0,1,0,0,0,0|1,0,2]=4 1375 B12R1.71 CNCCc1ccc(nc1)OC 34a_100011998949_200000210301 [0,1,0,0,0,0|1,0,2]=4 1376 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,1,0,0,0,0|1,0,2]=4 1377 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,1,0,0,0,0|1,0,2]=4 1378 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,1,0,0,0,0|1,0,2]=4 1379 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,1,0,0,0,0|2,0,0]=3 1380 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,1,0,0,0,0|2,0,1]=4 1381 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,1,0,0,0,0|2,0,1]=4 1382 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,1,0,0,0,0|2,0,1]=4 1383 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,1,0,0,0,0|2,0,1]=4 1384 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,1,0,0,0,0|2,0,1]=4 1385 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,1,0,0,0,0|2,0,1]=4 1386 B12R1.71 CNc1ccc(cc1)SCC#N 62a_100000743151_100011215382 [0,1,0,0,0,0|2,0,1]=4 1387 B12R1.71 CNc1ccc(cc1)SCC#N 62a_100011215382_100000743151 [0,1,0,0,0,0|2,0,1]=4 1388 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,1,0,0,0,0|2,0,0]=3 1389 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,1,0,0,0,0|2,0,0]=3 1390 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,1,0,0,0,0|2,0,1]=4 1391 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,1,0,0,0,0|2,0,1]=4 1392 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,1,0,0,0,0|2,0,1]=4 1393 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,1,0,0,0,0|2,0,1]=4 1394 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000743151_100000766300 [0,1,0,0,0,0|2,0,1]=4 1395 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000766300_100000743151 [0,1,0,0,0,0|2,0,1]=4 1396 B12R1.71 CNc1ccc(cc1)SCSC 62a_100000743151_100011218213 [0,1,0,0,0,0|2,0,1]=4 1397 B12R1.71 CNc1ccc(cc1)SCSC 62a_100011218213_100000743151 [0,1,0,0,0,0|2,0,1]=4 1398 B12R1.71 CNc1ccc(cn1)SCC=O 62a_100000741341_200015260668 [0,1,0,0,0,0|3,0,0]=4 1399 B12R1.71 CNc1ccc(cn1)SCC=O 62a_200015260668_100000741341 [0,1,0,0,0,0|3,0,0]=4 1400 B12R1.71 CNc1ccc(nc1)SCC=O 62a_100000764248_200015260668 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.71 CNc1ccc(nc1)SCC=O 62a_200015260668_100000764248 [0,1,0,0,0,0|3,0,0]=4 1402 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,1,0,0,0,0|0,1,2]=4 1403 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,1,0,0,0,0|0,1,2]=4 1404 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,1,0,0,0,0|0,1,2]=4 1405 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,1,0,0,0,0|0,1,2]=4 1406 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,1,0,0,0,0|0,0,2]=3 1407 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,1,0,0,0,0|0,0,2]=3 1408 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,1,0,0,0,0|0,0,2]=3 1409 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,1,0,0,0,0|0,0,2]=3 1410 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,1,0,0,0,0|0,0,2]=3 1411 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,1,0,0,0,0|0,0,2]=3 1412 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,1,0,0,0,0|0,0,2]=3 1413 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,1,0,0,0,0|0,1,2]=4 1414 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,1,0,0,0,0|0,1,2]=4 1415 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,1,0,0,0,0|0,1,2]=4 1416 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,1,0,0,0,0|0,1,2]=4 1417 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,1,0,0,0,0|1,0,1]=3 1418 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,1,0,0,0,0|1,0,1]=3 1419 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,1,0,0,0,0|1,1,1]=4 1420 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,1,0,0,0,0|1,1,1]=4 1421 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,1,0,0,0,0|1,1,1]=4 1422 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,1,0,0,0,0|1,1,1]=4 1423 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [0,1,0,0,0,0|1,0,1]=3 1424 B12R1.71 COCSc1ccc(cc1)SC 62a_100000766300_100011263217 [0,1,0,0,0,0|1,1,1]=4 1425 B12R1.71 COCSc1ccc(cc1)SC 62a_100011263217_100000766300 [0,1,0,0,0,0|1,1,1]=4 1426 B12R1.71 COCSc1ccc(cn1)OC 62a_100000755202_100000766300 [0,1,0,0,0,0|2,0,1]=4 1427 B12R1.71 COCSc1ccc(cn1)OC 62a_100000766300_100000744180 [0,1,0,0,0,0|2,0,1]=4 1428 B12R1.71 COCSc1ccc(nc1)OC 62a_100000047065_100000766300 [0,1,0,0,0,0|2,0,1]=4 1429 B12R1.71 COCSc1ccc(nc1)OC 62a_100000766300_100000047065 [0,1,0,0,0,0|2,0,1]=4 1430 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,1,0,0,0,0|0,0,2]=3 1431 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,1,0,0,0,0|0,0,2]=3 1432 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,1,0,0,0,0|0,0,2]=3 1433 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,1,0,0,0,0|0,0,2]=3 1434 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,1,0,0,0,0|0,0,2]=3 1435 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,1,0,0,0,0|0,0,2]=3 1436 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,1,0,0,0,0|0,0,2]=3 1437 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,1,0,0,0,0|0,0,2]=3 1438 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,1,0,0,0,0|0,0,2]=3 1439 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,1,0,0,0,0|0,0,2]=3 1440 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,1,0,0,0,0|0,0,2]=3 1441 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,1,0,0,0,0|0,0,2]=3 1442 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,1,0,0,0,0|1,0,1]=3 1443 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,1,0,0,0,0|1,0,1]=3 1444 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,1,0,0,0,0|1,0,1]=3 1445 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,1,0,0,0,0|1,0,0]=2 1446 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,1,0,0,0,0|1,0,1]=3 1447 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,1,0,0,0,0|1,0,1]=3 1448 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [0,1,0,0,0,0|1,0,1]=3 1449 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,1,0,0,0,0|1,0,0]=2 1450 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,1,0,0,0,0|1,0,1]=3 1451 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,1,0,0,0,0|1,0,1]=3 1452 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,1,0,0,0,0|1,0,1]=3 1453 B12R1.71 COc1ccc(cc1)SCC#N 62a_100011215382_100000171711 [0,1,0,0,0,0|1,0,1]=3 1454 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,1,0,0,0,0|1,0,0]=2 1455 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,1,0,0,0,0|1,0,1]=3 1456 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,1,0,0,0,0|1,0,1]=3 1457 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [0,1,0,0,0,0|1,0,1]=3 1458 B12R1.71 COc1ccc(cn1)CCN[13CH3] 2230a_100011998949_200025704644 [0,1,0,0,0,0|1,0,2]=4 1459 B12R1.71 COc1ccc(cn1)CCN[13CH3] 34a_100011998949_200025704644 [0,1,0,0,0,0|1,0,2]=4 1460 B12R1.71 COc1ccc(cn1)COCF 34a_100000763316_100015361967 [0,1,0,0,0,0|2,0,1]=4 1461 B12R1.71 COc1ccc(cn1)CSCF 62a_100015361967_100020631284 [0,1,0,0,0,0|2,0,1]=4 1462 B12R1.71 COc1ccc(cn1)CSCF 62a_100020631284_100015361967 [0,1,0,0,0,0|2,0,1]=4 1463 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,1,0,0,0,0|2,0,0]=3 1464 B12R1.71 COc1ccc(cn1)OCCF 34a_100011934560_100011217306 [0,1,0,0,0,0|2,0,1]=4 1465 B12R1.71 COc1ccc(cn1)OCCO 34a_100011934560_100000211926 [0,1,0,0,0,0|2,0,1]=4 1466 B12R1.71 COc1ccc(cn1)OCSC 34a_100011934560_100011218213 [0,1,0,0,0,0|2,0,1]=4 1467 B12R1.71 COc1ccc(cn1)SCC#N 62a_100000047065_100011215382 [0,1,0,0,0,0|2,0,1]=4 1468 B12R1.71 COc1ccc(cn1)SCC#N 62a_100011215382_100000047065 [0,1,0,0,0,0|2,0,1]=4 1469 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [0,1,0,0,0,0|2,0,0]=3 1470 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [0,1,0,0,0,0|2,0,0]=3 1471 B12R1.71 COc1ccc(cn1)SCCF 62a_100000047065_100011217306 [0,1,0,0,0,0|2,0,1]=4 1472 B12R1.71 COc1ccc(cn1)SCCF 62a_100011217306_100000047065 [0,1,0,0,0,0|2,0,1]=4 1473 B12R1.71 COc1ccc(cn1)SCCO 62a_100000047065_100000211926 [0,1,0,0,0,0|2,0,1]=4 1474 B12R1.71 COc1ccc(cn1)SCCO 62a_100000211926_100000047065 [0,1,0,0,0,0|2,0,1]=4 1475 B12R1.71 COc1ccc(cn1)SCSC 62a_100000047065_100011218213 [0,1,0,0,0,0|2,0,1]=4 1476 B12R1.71 COc1ccc(cn1)SCSC 62a_100011218213_100000047065 [0,1,0,0,0,0|2,0,1]=4 1477 B12R1.71 COc1ccc(nc1)CNCF 34a_100000703904_100015361967 [0,1,0,0,0,0|2,0,1]=4 1478 B12R1.71 COc1ccc(nc1)COCF 34a_100011998694_100015361967 [0,1,0,0,0,0|2,0,1]=4 1479 B12R1.71 COc1ccc(nc1)CSCF 62a_100015361967_200000757186 [0,1,0,0,0,0|2,0,1]=4 1480 B12R1.71 COc1ccc(nc1)CSCF 62a_200000757186_100015361967 [0,1,0,0,0,0|2,0,1]=4 1481 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,1,0,0,0,0|2,0,0]=3 1482 B12R1.71 COc1ccc(nc1)OCCF 34a_100012002028_100011217306 [0,1,0,0,0,0|2,0,1]=4 1483 B12R1.71 COc1ccc(nc1)OCCO 34a_100012002028_100000211926 [0,1,0,0,0,0|2,0,1]=4 1484 B12R1.71 COc1ccc(nc1)OCSC 34a_100012002028_100011218213 [0,1,0,0,0,0|2,0,1]=4 1485 B12R1.71 COc1ccc(nc1)SCC#N 62a_100000755202_100011215382 [0,1,0,0,0,0|2,0,1]=4 1486 B12R1.71 COc1ccc(nc1)SCC#N 62a_100011215382_100000744180 [0,1,0,0,0,0|2,0,1]=4 1487 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [0,1,0,0,0,0|2,0,0]=3 1488 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [0,1,0,0,0,0|2,0,0]=3 1489 B12R1.71 COc1ccc(nc1)SCCF 62a_100000755202_100011217306 [0,1,0,0,0,0|2,0,1]=4 1490 B12R1.71 COc1ccc(nc1)SCCF 62a_100011217306_100000744180 [0,1,0,0,0,0|2,0,1]=4 1491 B12R1.71 COc1ccc(nc1)SCCO 62a_100000211926_100000744180 [0,1,0,0,0,0|2,0,1]=4 1492 B12R1.71 COc1ccc(nc1)SCCO 62a_100000755202_100000211926 [0,1,0,0,0,0|2,0,1]=4 1493 B12R1.71 COc1ccc(nc1)SCSC 62a_100000755202_100011218213 [0,1,0,0,0,0|2,0,1]=4 1494 B12R1.71 COc1ccc(nc1)SCSC 62a_100011218213_100000744180 [0,1,0,0,0,0|2,0,1]=4 1495 B12R1.71 COc1ccc(nn1)SCC=O 62a_100009819040_200015260668 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.71 COc1ccc(nn1)SCC=O 62a_200015260668_100009819040 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.71 COc1cnc(cn1)SCC=O 62a_100011998698_200015260668 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.71 COc1cnc(cn1)SCC=O 62a_200015260668_100011998698 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.71 COc1cnc(nc1)SCC=O 62a_100000069167_200015260668 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.71 COc1cnc(nc1)SCC=O 62a_200015260668_100000069167 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.71 COc1ncc(cn1)OCC=O 34a_100000099601_200009817547 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.71 COc1ncc(cn1)OCC=O 7a_100000099601_200015260668 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.71 COc1ncc(cn1)SCC=O 62a_100000686852_200015260668 [0,1,0,0,0,0|3,0,0]=4 1504 B12R1.71 COc1ncc(cn1)SCC=O 62a_200015260668_100000686852 [0,1,0,0,0,0|3,0,0]=4 1505 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,1,0,0,0,0|1,0,2]=4 1506 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,1,0,0,0,0|1,0,2]=4 1507 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,1,0,0,0,0|1,0,2]=4 1508 B12R1.71 CSCNc1ccc(cc1)SC 34a_100000212337_100011218213 [0,1,0,0,0,0|1,1,1]=4 1509 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,1,0,0,0,0|1,1,1]=4 1510 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011218213_100011263217 [0,1,0,0,0,0|1,1,1]=4 1511 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011263217_100011218213 [0,1,0,0,0,0|1,1,1]=4 1512 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,1,0,0,0,0|0,1,1]=3 1513 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,1,0,0,0,0|0,1,1]=3 1514 B12R1.71 CSc1ccc(cc1)CCC#N 62a_100011216407_200000210301 [0,1,0,0,0,0|0,1,2]=4 1515 B12R1.71 CSc1ccc(cc1)CCC#N 62a_200000210301_100011216407 [0,1,0,0,0,0|0,1,2]=4 1516 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,1,0,0,0,0|0,1,1]=3 1517 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,1,0,0,0,0|0,1,1]=3 1518 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,1,0,0,0,0|0,1,2]=4 1519 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,1,0,0,0,0|0,1,2]=4 1520 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,1,0,0,0,0|0,1,2]=4 1521 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,1,0,0,0,0|0,1,2]=4 1522 B12R1.71 CSc1ccc(cc1)CNCF 34a_100000174980_100015361967 [0,1,0,0,0,0|1,1,1]=4 1523 B12R1.71 CSc1ccc(cc1)COCF 34a_100011215404_100015361967 [0,1,0,0,0,0|1,1,1]=4 1524 B12R1.71 CSc1ccc(cc1)COCF 7a_100011215404_100015361967 [0,1,0,0,0,0|1,1,1]=4 1525 B12R1.71 CSc1ccc(cc1)CSC#N 62a_200000210301_200010141448 [0,1,0,0,0,0|1,1,1]=4 1526 B12R1.71 CSc1ccc(cc1)CSC#N 62a_200010141448_200000210301 [0,1,0,0,0,0|1,1,1]=4 1527 B12R1.71 CSc1ccc(cc1)CSCF 62a_100000181263_100015361967 [0,1,0,0,0,0|1,1,1]=4 1528 B12R1.71 CSc1ccc(cc1)CSCF 62a_100015361967_100000181263 [0,1,0,0,0,0|1,1,1]=4 1529 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,1,0,0,0,0|1,1,0]=3 1530 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,1,0,0,0,0|1,1,1]=4 1531 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,1,0,0,0,0|1,1,1]=4 1532 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,1,0,0,0,0|1,1,1]=4 1533 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,1,0,0,0,0|1,1,1]=4 1534 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,1,0,0,0,0|1,1,0]=3 1535 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,1,0,0,0,0|1,1,1]=4 1536 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,1,0,0,0,0|1,1,1]=4 1537 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,1,0,0,0,0|1,1,1]=4 1538 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,1,0,0,0,0|1,1,1]=4 1539 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,1,0,0,0,0|1,1,1]=4 1540 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,1,0,0,0,0|1,1,1]=4 1541 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,1,0,0,0,0|1,1,1]=4 1542 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,1,0,0,0,0|1,1,1]=4 1543 B12R1.71 CSc1ccc(cc1)SCC#N 62a_100011215382_100011263217 [0,1,0,0,0,0|1,1,1]=4 1544 B12R1.71 CSc1ccc(cc1)SCC#N 62a_100011263217_100011215382 [0,1,0,0,0,0|1,1,1]=4 1545 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,1,0,0,0,0|1,1,0]=3 1546 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,1,0,0,0,0|1,1,0]=3 1547 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,1,0,0,0,0|1,1,1]=4 1548 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,1,0,0,0,0|1,1,1]=4 1549 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,1,0,0,0,0|1,1,1]=4 1550 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,1,0,0,0,0|1,1,1]=4 1551 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,1,0,0,0,0|1,1,1]=4 1552 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,1,0,0,0,0|1,1,1]=4 1553 B12R1.71 CSc1ccc(cn1)SCC=O 62a_100011408404_200015260668 [0,1,0,0,0,0|2,1,0]=4 1554 B12R1.71 CSc1ccc(cn1)SCC=O 62a_200015260668_100011408404 [0,1,0,0,0,0|2,1,0]=4 1555 B12R1.71 CSc1ccc(nc1)SCC=O 62a_100009820866_200015260668 [0,1,0,0,0,0|2,1,0]=4 1556 B12R1.71 CSc1ccc(nc1)SCC=O 62a_200015260668_100009820866 [0,1,0,0,0,0|2,1,0]=4 1557 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,1,0,0,0,0|3,0,0]=4 1560 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,1,0,0,0,0|3,0,0]=4 1563 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,1,0,0,0,0|3,0,0]=4 1564 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,1,0,0,0,0|3,0,0]=4 1567 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,1,0,0,0,0|3,0,0]=4 1569 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,1,0,0,0,0|3,0,0]=4 1574 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,1,0,0,0,0|3,0,0]=4 1575 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,1,0,0,0,0|2,0,1]=4 1576 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,1,0,0,0,0|2,0,1]=4 1577 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,1,0,0,0,0|2,0,1]=4 1578 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,1,0,0,0,0|0,0,2]=3 1579 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,1,0,0,0,0|0,0,2]=3 1580 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,1,0,0,0,0|0,0,2]=3 1581 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,1,0,0,0,0|0,0,2]=3 1582 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,1,0,0,0,0|0,1,1]=3 1583 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,1,0,0,0,0|0,1,1]=3 1584 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_100011216407_200025704644 [0,1,0,0,0,0|0,1,2]=4 1585 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_200025704644_100011216407 [0,1,0,0,0,0|0,1,2]=4 1586 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,1,0,0,0,0|0,1,1]=3 1587 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,1,0,0,0,0|0,1,1]=3 1588 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,1,0,0,0,0|0,1,2]=4 1589 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,1,0,0,0,0|0,1,2]=4 1590 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,1,0,0,0,0|0,1,2]=4 1591 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,1,0,0,0,0|0,1,2]=4 1592 B12R1.71 [13CH3]Sc1ccc(cc1)CSC#N 62a_200010141448_200025704644 [0,1,0,0,0,0|1,1,1]=4 1593 B12R1.71 [13CH3]Sc1ccc(cc1)CSC#N 62a_200025704644_200010141448 [0,1,0,0,0,0|1,1,1]=4 1594 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,1,0,0,0,0|1,1,1]=4 1595 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,1,0,0,0,0|1,1,1]=4 1596 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,1,0,0,0,0|1,1,1]=4 1597 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,1,0,0,0,0|1,1,1]=4 1598 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,1,0,0,0,0|1,1,1]=4 1599 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,1,0,0,0,0|1,1,1]=4 1600 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,1,0,0,0,0|1,1,1]=4 1601 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,1,0,0,0,0|1,1,1]=4 1602 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,1,0,0,0,0|1,1,1]=4 1603 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,1,0,0,0,0|1,1,1]=4 1604 B12R1.113 C=C(C)c1ccc(cc1)/C=C/Br 271570a_100000694244_200016255901 [0,1,0,0,0,0|2,0,1]=4 1605 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [0,1,0,0,0,0|1,0,2]=4 1606 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [0,1,0,0,0,0|1,0,2]=4 1607 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,1,0,0,0,0|2,0,1]=4 1608 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,1,0,0,0,0|2,0,0]=3 1609 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,1,0,0,0,0|1,0,2]=4 1610 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,1,0,0,0,0|2,0,1]=4 1611 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|2,0,1]=4 1612 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,1,0,0,0,0|2,0,1]=4 1613 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,1,0,0,0,0|2,0,1]=4 1614 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,1,0,0,0,0|3,0,0]=4 1615 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|2,0,1]=4 1616 B12R1.113 C=C=Cc1ccc(cc1)C(=C)C 271570a_100015277604_100000185454 [0,1,0,0,0,0|1,0,2]=4 1617 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,1,0,0,0,0|1,0,2]=4 1618 B12R1.113 C=C=Cc1ccc(cc1)C(C)C 271570a_100015277604_100000750031 [0,1,0,0,0,0|1,0,2]=4 1619 B12R1.113 C=C=Cc1ccc(cc1)C(C)O 271570a_100015277604_100000745893 [0,1,0,0,0,0|1,0,2]=4 1620 B12R1.113 C=C=Cc1ccc(cc1)N(C)C 271570a_100015277604_100000210421 [0,1,0,0,0,0|1,0,2]=4 1621 B12R1.113 C=C=Cc1ccc(cc1)S(=O)C 271570a_100015277604_100009816266 [0,1,0,0,0,0|0,1,2]=4 1622 B12R1.113 C=C=Cc1ccc(cc1)[C@@H](C)N 271570a_100015277604_100000720352 [0,1,0,0,0,0|1,0,2]=4 1623 B12R1.113 C=C=Cc1ccc(cc1)[C@H](C)N 271570a_100015277604_100000753911 [0,1,0,0,0,0|1,0,2]=4 1624 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|2,0,1]=4 1625 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|2,0,1]=4 1626 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|2,0,1]=4 1627 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|2,0,1]=4 1628 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|2,0,1]=4 1629 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,1,0,0,0,0|2,0,1]=4 1630 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,1,0,0,0,0|2,0,1]=4 1631 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,1,0,0,0,0|2,0,1]=4 1632 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,1,0,0,0,0|2,0,1]=4 1633 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [0,1,0,0,0,0|2,0,1]=4 1634 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [0,1,0,0,0,0|2,0,1]=4 1635 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,1,0,0,0,0|2,0,1]=4 1636 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,1,0,0,0,0|2,0,1]=4 1637 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,1,0,0,0,0|1,0,2]=4 1638 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [0,1,0,0,0,0|1,0,2]=4 1639 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,1,0,0,0,0|1,0,2]=4 1640 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [0,1,0,0,0,0|1,0,2]=4 1641 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [0,1,0,0,0,0|0,1,2]=4 1642 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [0,1,0,0,0,0|1,0,2]=4 1643 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [0,1,0,0,0,0|1,0,2]=4 1644 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|1,0,2]=4 1645 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|1,0,2]=4 1646 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,1,0,0,0,0|2,0,1]=4 1647 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|2,0,1]=4 1648 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|2,0,1]=4 1649 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|2,0,1]=4 1650 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|2,0,1]=4 1651 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,1,0,0,0,0|2,0,1]=4 1652 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,1,0,0,0,0|2,0,1]=4 1653 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,1,0,0,0,0|2,0,1]=4 1654 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,1,0,0,0,0|2,0,1]=4 1655 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,1,0,0,0,0|2,0,1]=4 1656 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,1,0,0,0,0|2,0,1]=4 1657 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,1,0,0,0,0|2,0,1]=4 1658 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,1,0,0,0,0|2,0,1]=4 1659 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,1,0,0,0,0|2,0,1]=4 1660 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,1,0,0,0,0|2,0,1]=4 1661 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,1,0,0,0,0|2,0,1]=4 1662 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,1,0,0,0,0|2,0,1]=4 1663 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,1,0,0,0,0|2,0,1]=4 1664 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,1,0,0,0,0|1,1,1]=4 1665 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,1,0,0,0,0|1,1,1]=4 1666 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|2,0,1]=4 1667 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|2,0,1]=4 1668 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|2,0,1]=4 1669 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|2,0,1]=4 1670 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,1,0,0,0,0|2,0,1]=4 1671 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,1,0,0,0,0|2,0,1]=4 1672 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,1,0,0,0,0|2,0,1]=4 1673 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,1,0,0,0,0|2,0,1]=4 1674 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|2,0,1]=4 1675 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|2,0,1]=4 1676 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|2,0,1]=4 1677 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|2,0,1]=4 1678 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [0,1,0,0,0,0|2,0,1]=4 1679 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [0,1,0,0,0,0|2,0,1]=4 1680 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|2,0,1]=4 1681 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|2,0,1]=4 1682 B12R1.114 C=C=Cc1ccc(cc1Br)CC 271570a_100015277604_200009997437 [0,1,0,0,0,0|1,0,2]=4 1683 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [0,1,0,0,0,0|0,0,2]=3 1684 B12R1.114 C=C=Cc1ccc(cc1C)NC 271570a_100015277604_100102888905 [0,1,0,0,0,0|1,0,2]=4 1685 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [0,1,0,0,0,0|0,0,2]=3 1686 B12R1.114 C=C=Cc1ccc(cc1F)CC 271570a_100015277604_200010339503 [0,1,0,0,0,0|1,0,2]=4 1687 B12R1.114 C=C=Cc1ccc(cc1F)NC 271570a_100015277604_100012285320 [0,1,0,0,0,0|1,0,2]=4 1688 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [0,1,0,0,0,0|0,0,2]=3 1689 B12R1.114 C=C=Cc1ccc(cc1F)SC 271570a_100015277604_100009816902 [0,1,0,0,0,0|0,1,2]=4 1690 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [0,1,0,0,0,0|0,0,2]=3 1691 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [0,1,0,0,0,0|0,0,2]=3 1692 B12R1.114 C=C=Cc1ccc(nc1C)OC 271570a_100015277604_100000766551 [0,1,0,0,0,0|1,0,2]=4 1693 B12R1.114 C=C=Cc1ccc(nc1F)OC 271570a_100015277604_100010067559 [0,1,0,0,0,0|1,0,2]=4 1694 B12R1.114 C=C=Cc1ccc(nc1N)OC 271570a_100015277604_100010187629 [0,1,0,0,0,0|1,0,2]=4 1695 B12R1.114 C=C=Cc1cnc(cc1C)OC 271570a_100015277604_100011934368 [0,1,0,0,0,0|1,0,2]=4 1696 B12R1.114 C=C=Cc1cnc(cc1F)OC 271570a_100015277604_100010136277 [0,1,0,0,0,0|1,0,2]=4 1697 B12R1.114 C=C=Cc1cnc(cc1N)OC 271570a_100015277604_100010254562 [0,1,0,0,0,0|1,0,2]=4 1698 B12R1.114 C=C=Cc1cnc(cc1O)OC 271570a_100015277604_100010738159 [0,1,0,0,0,0|1,0,2]=4 1699 B12R1.114 C=C=Cc1ncc(cc1C)OC 271570a_100015277604_200009851512 [0,1,0,0,0,0|1,0,2]=4 1700 B12R1.114 C=C=Cc1ncc(cc1N)OC 271570a_100015277604_100010074831 [0,1,0,0,0,0|1,0,2]=4 1701 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [0,1,0,0,0,0|1,0,2]=4 1702 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,1,0,0,0,0|0,0,2]=3 1703 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [0,1,0,0,0,0|1,0,2]=4 1704 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,1,0,0,0,0|0,0,2]=3 1705 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [0,1,0,0,0,0|1,0,2]=4 1706 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [0,1,0,0,0,0|1,0,2]=4 1707 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,1,0,0,0,0|0,0,2]=3 1708 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [0,1,0,0,0,0|0,1,2]=4 1709 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,1,0,0,0,0|0,0,2]=3 1710 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,1,0,0,0,0|0,0,2]=3 1711 B12R1.114 CC=Cc1ccc(nc1C)OC 271570a_100016259895_100000766551 [0,1,0,0,0,0|1,0,2]=4 1712 B12R1.114 CC=Cc1ccc(nc1F)OC 271570a_100016259895_100010067559 [0,1,0,0,0,0|1,0,2]=4 1713 B12R1.114 CC=Cc1ccc(nc1N)OC 271570a_100016259895_100010187629 [0,1,0,0,0,0|1,0,2]=4 1714 B12R1.114 CC=Cc1cnc(cc1C)OC 271570a_100016259895_100011934368 [0,1,0,0,0,0|1,0,2]=4 1715 B12R1.114 CC=Cc1cnc(cc1F)OC 271570a_100016259895_100010136277 [0,1,0,0,0,0|1,0,2]=4 1716 B12R1.114 CC=Cc1cnc(cc1N)OC 271570a_100016259895_100010254562 [0,1,0,0,0,0|1,0,2]=4 1717 B12R1.114 CC=Cc1cnc(cc1O)OC 271570a_100016259895_100010738159 [0,1,0,0,0,0|1,0,2]=4 1718 B12R1.114 CC=Cc1ncc(cc1C)OC 271570a_100016259895_200009851512 [0,1,0,0,0,0|1,0,2]=4 1719 B12R1.114 CC=Cc1ncc(cc1N)OC 271570a_100016259895_100010074831 [0,1,0,0,0,0|1,0,2]=4 1720 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [0,1,0,0,0,0|1,0,2]=4 1721 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [0,1,0,0,0,0|1,0,2]=4 1722 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [0,1,0,0,0,0|1,0,2]=4 1723 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [0,1,0,0,0,0|1,0,2]=4 1724 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [0,1,0,0,0,0|1,0,2]=4 1725 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [0,1,0,0,0,0|1,0,2]=4 1726 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [0,1,0,0,0,0|1,0,2]=4 1727 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [0,1,0,0,0,0|1,0,2]=4 1728 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [0,1,0,0,0,0|1,0,2]=4 1729 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [0,1,0,0,0,0|1,0,2]=4 1730 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [0,1,0,0,0,0|1,0,2]=4 1731 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [0,1,0,0,0,0|1,0,2]=4 1732 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [0,1,0,0,0,0|1,0,2]=4 1733 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [0,1,0,0,0,0|1,0,2]=4 1734 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [0,1,0,0,0,0|1,0,2]=4 1735 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [0,1,0,0,0,0|1,0,2]=4 1736 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [0,1,0,0,0,0|1,0,2]=4 1737 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [0,1,0,0,0,0|1,0,2]=4 1738 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [0,1,0,0,0,0|1,0,2]=4 1739 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [0,1,0,0,0,0|1,0,2]=4 1740 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [0,1,0,0,0,0|1,0,2]=4 1741 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [0,1,0,0,0,0|1,0,2]=4 1742 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [0,1,0,0,0,0|1,0,2]=4 1743 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [0,1,0,0,0,0|1,0,2]=4 1744 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [0,1,0,0,0,0|1,0,2]=4 1745 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [0,1,0,0,0,0|1,0,2]=4 1746 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [0,1,0,0,0,0|1,0,2]=4 1747 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [0,1,0,0,0,0|1,0,2]=4 1748 B12R1.114 CCc1ccc(c(c1)Br)CNC 26a_100102657272_100012339963 [0,1,0,0,0,0|2,0,1]=4 1749 B12R1.114 CCc1ccc(c(c1)F)CNC 207a_100102657272_100011156597 [0,1,0,0,0,0|2,0,1]=4 1750 B12R1.114 CCc1ccc(c(c1)F)CNC 270004a_106832991635_100011156597 [0,1,0,0,0,0|2,0,1]=4 1751 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [0,1,0,0,0,0|1,0,1]=3 1752 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [0,1,0,0,0,0|1,0,1]=3 1753 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [0,1,0,0,0,0|1,0,1]=3 1754 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [0,1,0,0,0,0|1,0,1]=3 1755 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [0,1,0,0,0,0|1,0,1]=3 1756 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [0,1,0,0,0,0|1,0,1]=3 1757 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [0,1,0,0,0,0|1,0,1]=3 1758 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [0,1,0,0,0,0|1,0,1]=3 1759 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [0,1,0,0,0,0|1,0,1]=3 1760 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [0,1,0,0,0,0|1,0,1]=3 1761 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [0,1,0,0,0,0|1,0,1]=3 1762 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [0,1,0,0,0,0|1,0,1]=3 1763 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [0,1,0,0,0,0|1,0,1]=3 1764 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [0,1,0,0,0,0|1,0,1]=3 1765 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [0,1,0,0,0,0|1,0,1]=3 1766 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [0,1,0,0,0,0|1,0,1]=3 1767 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [0,1,0,0,0,0|1,0,1]=3 1768 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [0,1,0,0,0,0|1,0,1]=3 1769 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [0,1,0,0,0,0|1,0,1]=3 1770 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [0,1,0,0,0,0|1,0,1]=3 1771 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [0,1,0,0,0,0|1,0,1]=3 1772 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [0,1,0,0,0,0|1,0,1]=3 1773 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [0,1,0,0,0,0|1,0,1]=3 1774 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [0,1,0,0,0,0|1,0,1]=3 1775 B12R1.114 CNCc1ccc(nc1C)OC 207a_100102657272_100000101190 [0,1,0,0,0,0|2,0,1]=4 1776 B12R1.114 CNCc1ccc(nc1C)OC 270004a_106832991635_100000101190 [0,1,0,0,0,0|2,0,1]=4 1777 B12R1.114 CNCc1ccc(nc1Cl)OC 207a_100102657272_200012001695 [0,1,0,0,0,0|2,0,1]=4 1778 B12R1.114 CNCc1cnc(cc1C)OC 207a_100102657272_100000085380 [0,1,0,0,0,0|2,0,1]=4 1779 B12R1.114 CNCc1cnc(cc1C)OC 270004a_106832991635_100000085380 [0,1,0,0,0,0|2,0,1]=4 1780 B12R1.114 CNCc1ncc(cc1Br)OC 207a_100102657272_200010135874 [0,1,0,0,0,0|2,0,1]=4 1781 B12R1.114 CNCc1ncc(cc1Br)OC 270004a_106832991635_200010135874 [0,1,0,0,0,0|2,0,1]=4 1782 B12R1.114 CNCc1ncc(cc1C)OC 2230a_200009843444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1783 B12R1.114 CNCc1ncc(cc1C)OC 34a_200009843444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1784 B12R1.114 CNc1ccc(c(c1)F)COC 34a_100012145864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1785 B12R1.114 CNc1ccc(c(c1)F)COC 7a_100012145864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1786 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [0,1,0,0,0,0|1,0,1]=3 1787 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [0,1,0,0,0,0|1,0,1]=3 1788 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [0,1,0,0,0,0|1,0,1]=3 1789 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [0,1,0,0,0,0|1,0,1]=3 1790 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [0,1,0,0,0,0|1,0,1]=3 1791 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [0,1,0,0,0,0|1,0,1]=3 1792 B12R1.114 COCc1ccc(cc1F)N[13CH3] 34a_100012145864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1793 B12R1.114 COCc1ccc(cc1F)N[13CH3] 7a_100012145864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1794 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [0,1,0,0,0,0|1,0,1]=3 1795 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [0,1,0,0,0,0|1,0,1]=3 1796 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [0,1,0,0,0,0|1,0,1]=3 1797 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|1,0,1]=3 1798 B12R1.114 COCc1ccc(cc1N)SC 62a_100013084866_200000210301 [0,1,0,0,0,0|1,1,1]=4 1799 B12R1.114 COCc1ccc(cc1N)SC 62a_200000210301_100013084866 [0,1,0,0,0,0|1,1,1]=4 1800 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_100013084866_200025704644 [0,1,0,0,0,0|1,1,1]=4 1801 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_200025704644_100013084866 [0,1,0,0,0,0|1,1,1]=4 1802 B12R1.114 COCc1ccc(nc1Cl)OC 34a_100009885603_200000210301 [0,1,0,0,0,0|2,0,1]=4 1803 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [0,1,0,0,0,0|1,0,1]=3 1804 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [0,1,0,0,0,0|1,0,1]=3 1805 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [0,1,0,0,0,0|1,0,1]=3 1806 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [0,1,0,0,0,0|1,0,1]=3 1807 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [0,1,0,0,0,0|1,0,1]=3 1808 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [0,1,0,0,0,0|1,0,1]=3 1809 B12R1.114 COc1ccc(c(c1)Br)NCF 34a_100015195136_100015361967 [0,1,0,0,0,0|2,0,1]=4 1810 B12R1.114 COc1ccc(c(c1)Br)OCF 34a_100000685887_100015361967 [0,1,0,0,0,0|2,0,1]=4 1811 B12R1.114 COc1ccc(c(c1)Br)OCF 7a_100000685887_100015361967 [0,1,0,0,0,0|2,0,1]=4 1812 B12R1.114 COc1ccc(c(c1)Br)SCF 62a_100012349170_100015361967 [0,1,0,0,0,0|2,0,1]=4 1813 B12R1.114 COc1ccc(c(c1)Br)SCF 62a_100015361967_100012349170 [0,1,0,0,0,0|2,0,1]=4 1814 B12R1.114 COc1ccc(c(c1)C)NCF 34a_100000750285_100015361967 [0,1,0,0,0,0|2,0,1]=4 1815 B12R1.114 COc1ccc(c(c1)C)OCF 34a_100012002223_100015361967 [0,1,0,0,0,0|2,0,1]=4 1816 B12R1.114 COc1ccc(c(c1)C)OCF 7a_100012002223_100015361967 [0,1,0,0,0,0|2,0,1]=4 1817 B12R1.114 COc1ccc(c(c1)C)SCF 62a_100000759875_100015361967 [0,1,0,0,0,0|2,0,1]=4 1818 B12R1.114 COc1ccc(c(c1)C)SCF 62a_100015361967_100000759875 [0,1,0,0,0,0|2,0,1]=4 1819 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [0,1,0,0,0,0|1,0,1]=3 1820 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [0,1,0,0,0,0|1,0,1]=3 1821 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [0,1,0,0,0,0|1,0,1]=3 1822 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [0,1,0,0,0,0|1,0,1]=3 1823 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [0,1,0,0,0,0|1,0,1]=3 1824 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [0,1,0,0,0,0|1,0,1]=3 1825 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [0,1,0,0,0,0|1,0,1]=3 1826 B12R1.114 COc1ccc(c(c1)Cl)NCF 34a_100000747055_100015361967 [0,1,0,0,0,0|2,0,1]=4 1827 B12R1.114 COc1ccc(c(c1)Cl)OCF 34a_100000038596_100015361967 [0,1,0,0,0,0|2,0,1]=4 1828 B12R1.114 COc1ccc(c(c1)Cl)OCF 7a_100000038596_100015361967 [0,1,0,0,0,0|2,0,1]=4 1829 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [0,1,0,0,0,0|1,0,1]=3 1830 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [0,1,0,0,0,0|1,0,1]=3 1831 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [0,1,0,0,0,0|1,0,1]=3 1832 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [0,1,0,0,0,0|1,0,1]=3 1833 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [0,1,0,0,0,0|1,0,1]=3 1834 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [0,1,0,0,0,0|1,0,1]=3 1835 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [0,1,0,0,0,0|1,0,1]=3 1836 B12R1.114 COc1ccc(c(c1)F)NCF 34a_100011299463_100015361967 [0,1,0,0,0,0|2,0,1]=4 1837 B12R1.114 COc1ccc(c(c1)F)OCF 34a_100000036999_100015361967 [0,1,0,0,0,0|2,0,1]=4 1838 B12R1.114 COc1ccc(c(c1)F)OCF 7a_100000036999_100015361967 [0,1,0,0,0,0|2,0,1]=4 1839 B12R1.114 COc1ccc(c(c1)F)SCF 62a_100000753793_100015361967 [0,1,0,0,0,0|2,0,1]=4 1840 B12R1.114 COc1ccc(c(c1)F)SCF 62a_100015361967_100000753793 [0,1,0,0,0,0|2,0,1]=4 1841 B12R1.114 COc1ccc(c(c1)I)NCF 34a_100000049804_100015361967 [0,1,0,0,0,0|2,0,1]=4 1842 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [0,1,0,0,0,0|1,0,1]=3 1843 B12R1.114 COc1ccc(c(c1)N)OCF 34a_100000188146_100015361967 [0,1,0,0,0,0|2,0,1]=4 1844 B12R1.114 COc1ccc(c(c1)N)SCF 62a_100000748021_100015361967 [0,1,0,0,0,0|2,0,1]=4 1845 B12R1.114 COc1ccc(c(c1)N)SCF 62a_100015361967_100000748021 [0,1,0,0,0,0|2,0,1]=4 1846 B12R1.114 COc1ccc(c(c1)O)CC#N 271570a_203496583355_100010146818 [0,1,0,0,0,0|1,0,1]=3 1847 B12R1.114 COc1ccc(c(c1)O)NCF 34a_100016989039_100015361967 [0,1,0,0,0,0|2,0,1]=4 1848 B12R1.114 COc1ccc(c(c1)O)SCF 62a_100015361967_100000719091 [0,1,0,0,0,0|2,0,1]=4 1849 B12R1.114 COc1ccc(c(n1)Cl)CO[13CH3] 34a_100009885603_200025704644 [0,1,0,0,0,0|2,0,1]=4 1850 B12R1.114 COc1cnc(c(c1)C)CN[13CH3] 2230a_200009843444_200025704644 [0,1,0,0,0,0|2,0,1]=4 1851 B12R1.114 COc1cnc(c(c1)C)CN[13CH3] 34a_200009843444_200025704644 [0,1,0,0,0,0|2,0,1]=4 1852 B12R1.114 CSc1ccc(c(c1)C)CC#N 62a_100000697864_200000210301 [0,1,0,0,0,0|1,1,1]=4 1853 B12R1.114 CSc1ccc(c(c1)C)CC#N 62a_200000210301_100000697864 [0,1,0,0,0,0|1,1,1]=4 1854 B12R1.114 CSc1ccc(c(c1)F)CC#N 62a_100011295474_200000210301 [0,1,0,0,0,0|1,1,1]=4 1855 B12R1.114 CSc1ccc(c(c1)F)CC#N 62a_200000210301_100011295474 [0,1,0,0,0,0|1,1,1]=4 1856 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_100011962869_200000210301 [0,1,0,0,0,0|1,1,1]=4 1857 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_200000210301_100011962869 [0,1,0,0,0,0|1,1,1]=4 1858 B12R1.114 Cc1cc(ccc1CC#N)S[13CH3] 62a_100000697864_200025704644 [0,1,0,0,0,0|1,1,1]=4 1859 B12R1.114 Cc1cc(ccc1CC#N)S[13CH3] 62a_200025704644_100000697864 [0,1,0,0,0,0|1,1,1]=4 1860 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CC#N 62a_100011295474_200025704644 [0,1,0,0,0,0|1,1,1]=4 1861 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CC#N 62a_200025704644_100011295474 [0,1,0,0,0,0|1,1,1]=4 1862 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_100011962869_200025704644 [0,1,0,0,0,0|1,1,1]=4 1863 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_200025704644_100011962869 [0,1,0,0,0,0|1,1,1]=4 1864 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [0,1,0,0,0,0|0,1,2]=4 1865 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [0,1,0,0,0,0|0,1,2]=4 1866 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [0,1,0,0,0,0|0,1,2]=4 1867 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [0,1,0,0,0,0|0,1,2]=4 1868 B12R1.116 C=C=Cc1ccc(cc1)/C=C/C 271570a_100015277604_100016259036 [0,1,0,0,0,0|1,0,2]=4 1869 B12R1.116 C=C=Cc1ccc(cc1)CC=O 271570a_100015277604_100011361690 [0,1,0,0,0,0|2,0,1]=4 1870 B12R1.116 C=C=Cc1ccc(cc1)CCC 271570a_100015277604_100000750032 [0,1,0,0,0,0|1,0,2]=4 1871 B12R1.116 C=C=Cc1ccc(cc1)CCN 271570a_100015277604_100000755846 [0,1,0,0,0,0|1,0,2]=4 1872 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [0,1,0,0,0,0|1,0,2]=4 1873 B12R1.116 C=C=Cc1ccc(cc1)CNC 271570a_100015277604_100000180866 [0,1,0,0,0,0|1,0,2]=4 1874 B12R1.116 C=C=Cc1ccc(cc1)COC 271570a_100015277604_100011493685 [0,1,0,0,0,0|0,0,2]=3 1875 B12R1.116 C=C=Cc1ccc(cc1)NCC 271570a_100015277604_100000219632 [0,1,0,0,0,0|1,0,2]=4 1876 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [0,1,0,0,0,0|0,0,2]=3 1877 B12R1.116 C=C=Cc1ccc(cc1)SCC 271570a_100015277604_200009811893 [0,1,0,0,0,0|0,1,2]=4 1878 B12R1.116 C=C=Cc1ccc(cn1)OCC 271570a_100015277604_100000753957 [0,1,0,0,0,0|1,0,2]=4 1879 B12R1.116 C=C=Cc1ccc(nc1)OCC 271570a_100015277604_100011219444 [0,1,0,0,0,0|1,0,2]=4 1880 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [0,1,0,0,0,0|1,0,0]=2 1881 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,1,0,0,0,0|0,0,0]=1 1882 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,1,0,0,0,0|0,0,0]=1 1883 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,1,0,0,0,0|0,0,0]=1 1884 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,1,0,0,0,0|0,0,0]=1 1885 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [0,1,0,0,0,0|1,1,0]=3 1886 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [0,1,0,0,0,0|1,1,0]=3 1887 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [0,1,0,0,0,0|1,1,0]=3 1888 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [0,1,0,0,0,0|1,1,0]=3 1889 B12R1.116 CC=Cc1ccc(cc1)/C=C/Br 271570a_100016259895_200016255901 [0,1,0,0,0,0|2,0,1]=4 1890 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [0,1,0,0,0,0|1,0,2]=4 1891 B12R1.116 CC=Cc1ccc(cc1)CC#N 271570a_100016259895_100011217881 [0,1,0,0,0,0|2,0,1]=4 1892 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [0,1,0,0,0,0|2,0,0]=3 1893 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [0,1,0,0,0,0|1,0,2]=4 1894 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [0,1,0,0,0,0|1,0,2]=4 1895 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,1,0,0,0,0|1,0,2]=4 1896 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [0,1,0,0,0,0|1,0,2]=4 1897 B12R1.116 CC=Cc1ccc(cc1)CNN 271570a_100016259895_100016993955 [0,1,0,0,0,0|3,0,0]=4 1898 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [0,1,0,0,0,0|0,0,2]=3 1899 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [0,1,0,0,0,0|1,0,2]=4 1900 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,1,0,0,0,0|0,0,2]=3 1901 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [0,1,0,0,0,0|0,1,2]=4 1902 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [0,1,0,0,0,0|1,0,2]=4 1903 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [0,1,0,0,0,0|1,0,2]=4 1904 B12R1.116 CCCc1ccc(cc1)CNC 207a_100102657272_100000229940 [0,1,0,0,0,0|1,0,2]=4 1905 B12R1.116 CCCc1ccc(cc1)CNC 2230a_100020632977_200000210301 [0,1,0,0,0,0|1,0,2]=4 1906 B12R1.116 CCCc1ccc(cc1)CNC 2230a_106832991635_100011982809 [0,1,0,0,0,0|1,0,2]=4 1907 B12R1.116 CCCc1ccc(cc1)CNC 26a_100102657272_100000749406 [0,1,0,0,0,0|1,0,2]=4 1908 B12R1.116 CCCc1ccc(cc1)CNC 270004a_106832991635_100000229940 [0,1,0,0,0,0|1,0,2]=4 1909 B12R1.116 CCCc1ccc(cc1)CNC 34a_100020632977_200000210301 [0,1,0,0,0,0|1,0,2]=4 1910 B12R1.116 CCCc1ccc(cc1)CNC 34a_100102657272_100011982809 [0,1,0,0,0,0|1,0,2]=4 1911 B12R1.116 CCCc1ccc(cc1)CNC 7a_106832991635_100011982809 [0,1,0,0,0,0|1,0,2]=4 1912 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 2230a_100020632977_200025704644 [0,1,0,0,0,0|1,0,2]=4 1913 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 34a_100020632977_200025704644 [0,1,0,0,0,0|1,0,2]=4 1914 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [0,1,0,0,0,0|0,0,2]=3 1915 B12R1.116 CCCc1ccc(cc1)CSC 62a_100011982809_200000210301 [0,1,0,0,0,0|0,1,2]=4 1916 B12R1.116 CCCc1ccc(cc1)CSC 62a_200000210301_100011982809 [0,1,0,0,0,0|0,1,2]=4 1917 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_100011982809_200025704644 [0,1,0,0,0,0|0,1,2]=4 1918 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982809 [0,1,0,0,0,0|0,1,2]=4 1919 B12R1.116 CCCc1ccc(cc1)NCC 2230a_100000211780_100000210202 [0,1,0,0,0,0|1,0,2]=4 1920 B12R1.116 CCCc1ccc(cc1)NCC 34a_100000211780_100000210202 [0,1,0,0,0,0|1,0,2]=4 1921 B12R1.116 CCCc1ccc(cc1)NCF 34a_100000211780_100015361967 [0,1,0,0,0,0|1,0,2]=4 1922 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [0,1,0,0,0,0|0,0,2]=3 1923 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [0,1,0,0,0,0|0,0,2]=3 1924 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [0,1,0,0,0,0|0,0,2]=3 1925 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [0,1,0,0,0,0|0,0,2]=3 1926 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000210202_100000750032 [0,1,0,0,0,0|0,1,2]=4 1927 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000750032_100000210202 [0,1,0,0,0,0|0,1,2]=4 1928 B12R1.116 CCCc1ccc(cc1)SCF 62a_100000750032_100015361967 [0,1,0,0,0,0|0,1,2]=4 1929 B12R1.116 CCCc1ccc(cc1)SCF 62a_100015361967_100000750032 [0,1,0,0,0,0|0,1,2]=4 1930 B12R1.116 CCNc1ccc(cc1)CC#N 34a_100000198999_100000210202 [0,1,0,0,0,0|2,0,1]=4 1931 B12R1.116 CCNc1ccc(cc1)CCO 2230a_100011204434_100000210202 [0,1,0,0,0,0|2,0,1]=4 1932 B12R1.116 CCNc1ccc(cc1)CCO 34a_100011204434_100000210202 [0,1,0,0,0,0|2,0,1]=4 1933 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [0,1,0,0,0,0|1,0,2]=4 1934 B12R1.116 CCNc1ccc(cc1)CSC 2230a_106726388226_100000210202 [0,1,0,0,0,0|2,0,1]=4 1935 B12R1.116 CCNc1ccc(cc1)CSC 34a_106726388226_100000210202 [0,1,0,0,0,0|2,0,1]=4 1936 B12R1.116 CCNc1ccc(cc1)CSC 7a_106726388226_100000210202 [0,1,0,0,0,0|2,0,1]=4 1937 B12R1.116 CCNc1ccc(cc1)OCC 2230a_100000739623_100000210202 [0,1,0,0,0,0|1,0,2]=4 1938 B12R1.116 CCNc1ccc(cc1)OCC 34a_100000739623_100000210202 [0,1,0,0,0,0|1,0,2]=4 1939 B12R1.116 CCNc1ccc(cc1)OCC 34a_100011337800_100000210202 [0,1,0,0,0,0|1,0,2]=4 1940 B12R1.116 CCNc1ccc(cc1)OCC 7a_100011337800_100000210202 [0,1,0,0,0,0|1,0,2]=4 1941 B12R1.116 CCNc1ccc(cc1)OCF 34a_100011337800_100015361967 [0,1,0,0,0,0|1,0,2]=4 1942 B12R1.116 CCNc1ccc(cc1)OCF 7a_100011337800_100015361967 [0,1,0,0,0,0|1,0,2]=4 1943 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [0,1,0,0,0,0|1,0,1]=3 1944 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [0,1,0,0,0,0|1,0,1]=3 1945 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [0,1,0,0,0,0|1,0,1]=3 1946 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [0,1,0,0,0,0|1,0,1]=3 1947 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [0,1,0,0,0,0|1,0,1]=3 1948 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [0,1,0,0,0,0|1,0,1]=3 1949 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [0,1,0,0,0,0|1,0,1]=3 1950 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [0,1,0,0,0,0|1,0,1]=3 1951 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [0,1,0,0,0,0|1,0,1]=3 1952 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [0,1,0,0,0,0|1,0,1]=3 1953 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [0,1,0,0,0,0|1,0,1]=3 1954 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [0,1,0,0,0,0|1,0,1]=3 1955 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [0,1,0,0,0,0|1,0,1]=3 1956 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [0,1,0,0,0,0|1,0,1]=3 1957 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [0,1,0,0,0,0|1,0,1]=3 1958 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [0,1,0,0,0,0|1,0,1]=3 1959 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [0,1,0,0,0,0|1,0,1]=3 1960 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [0,1,0,0,0,0|1,0,1]=3 1961 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [0,1,0,0,0,0|1,0,1]=3 1962 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [0,1,0,0,0,0|1,0,1]=3 1963 B12R1.116 CCOc1ccc(cc1)NCF 34a_100000739623_100015361967 [0,1,0,0,0,0|2,0,1]=4 1964 B12R1.116 CCOc1ccc(cc1)OCC 34a_100000185467_100000210202 [0,1,0,0,0,0|1,0,2]=4 1965 B12R1.116 CCOc1ccc(cc1)OCF 34a_100000185467_100015361967 [0,1,0,0,0,0|1,0,2]=4 1966 B12R1.116 CCOc1ccc(cc1)SCC 62a_100000210202_100000171712 [0,1,0,0,0,0|1,0,2]=4 1967 B12R1.116 CCOc1ccc(cc1)SCF 62a_100015361967_100000171712 [0,1,0,0,0,0|2,0,1]=4 1968 B12R1.116 CCOc1ccc(cn1)CNC 207a_100102657272_100012002837 [0,1,0,0,0,0|2,0,1]=4 1969 B12R1.116 CCOc1ccc(cn1)CNC 2230a_100102710506_200000210301 [0,1,0,0,0,0|2,0,1]=4 1970 B12R1.116 CCOc1ccc(cn1)CNC 270004a_106832991635_100012002837 [0,1,0,0,0,0|2,0,1]=4 1971 B12R1.116 CCOc1ccc(cn1)CN[13CH3] 2230a_100102710506_200025704644 [0,1,0,0,0,0|2,0,1]=4 1972 B12R1.116 CCOc1ccc(nc1)COC 34a_200012645146_200000210301 [0,1,0,0,0,0|2,0,1]=4 1973 B12R1.116 CCOc1ccc(nc1)CO[13CH3] 34a_200012645146_200025704644 [0,1,0,0,0,0|2,0,1]=4 1974 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [0,1,0,0,0,0|1,1,1]=4 1975 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [0,1,0,0,0,0|1,1,1]=4 1976 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100000210202_100011217881 [0,1,0,0,0,0|1,1,1]=4 1977 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100011217881_100000210202 [0,1,0,0,0,0|1,1,1]=4 1978 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,1,0,0,0,0|1,1,0]=3 1979 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,1,0,0,0,0|1,1,0]=3 1980 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000210202_100000755846 [0,1,0,0,0,0|1,1,1]=4 1981 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000755846_100000210202 [0,1,0,0,0,0|1,1,1]=4 1982 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000210202_100000766406 [0,1,0,0,0,0|1,1,1]=4 1983 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000766406_100000210202 [0,1,0,0,0,0|1,1,1]=4 1984 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000180866_100000210202 [0,1,0,0,0,0|1,1,1]=4 1985 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000210202_100000180866 [0,1,0,0,0,0|1,1,1]=4 1986 B12R1.116 CCSc1ccc(cc1)CNN 62a_100000210202_100016993955 [0,1,0,0,0,0|2,1,0]=4 1987 B12R1.116 CCSc1ccc(cc1)CNN 62a_100016993955_100000210202 [0,1,0,0,0,0|2,1,0]=4 1988 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [0,1,0,0,0,0|1,0,2]=4 1989 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [0,1,0,0,0,0|1,0,2]=4 1990 B12R1.116 CNCc1ccc(cc1)CCBr 26a_100102657272_100009816426 [0,1,0,0,0,0|2,0,1]=4 1991 B12R1.116 CNCc1ccc(cc1)CCN 26a_100102657272_100000743037 [0,1,0,0,0,0|2,0,1]=4 1992 B12R1.116 CNCc1ccc(cc1)CCO 26a_100102657272_100011215338 [0,1,0,0,0,0|2,0,1]=4 1993 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [0,1,0,0,0,0|1,0,1]=3 1994 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [0,1,0,0,0,0|1,0,1]=3 1995 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [0,1,0,0,0,0|1,0,1]=3 1996 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [0,1,0,0,0,0|1,0,1]=3 1997 B12R1.116 CNCc1ccc(cc1)SCF 62a_100000180866_100015361967 [0,1,0,0,0,0|1,1,1]=4 1998 B12R1.116 CNCc1ccc(cc1)SCF 62a_100015361967_100000180866 [0,1,0,0,0,0|1,1,1]=4 1999 B12R1.116 COCc1ccc(cc1)CC#N 7a_100000695229_200000210301 [0,1,0,0,0,0|1,0,1]=3 2000 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [0,1,0,0,0,0|1,0,1]=3 2001 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [0,1,0,0,0,0|1,0,1]=3 2002 B12R1.116 COCc1ccc(cc1)NCF 34a_100000694113_100015361967 [0,1,0,0,0,0|2,0,1]=4 2003 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [0,1,0,0,0,0|1,0,1]=3 2004 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [0,1,0,0,0,0|1,0,1]=3 2005 B12R1.116 COCc1ccc(cc1)SCF 62a_100011493685_100015361967 [0,1,0,0,0,0|1,1,1]=4 2006 B12R1.116 COCc1ccc(cc1)SCF 62a_100015361967_100011493685 [0,1,0,0,0,0|1,1,1]=4 2007 B12R1.116 CSCc1ccc(cc1)NCF 34a_106726388226_100015361967 [0,1,0,0,0,0|2,0,1]=4 2008 B12R1.116 CSCc1ccc(cc1)NCF 7a_106726388226_100015361967 [0,1,0,0,0,0|2,0,1]=4 2009 B12R1.116 FCOc1ccc(cc1)CCBr 34a_100009816426_100015361967 [0,1,0,0,0,0|1,0,1]=3 2010 B12R1.116 FCOc1ccc(cc1)CCBr 7a_100009816426_100015361967 [0,1,0,0,0,0|1,0,1]=3 2011 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_100015361967_200016255901 [0,1,0,0,0,0|1,1,1]=4 2012 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_200016255901_100015361967 [0,1,0,0,0,0|1,1,1]=4 2013 B12R1.116 N#CCc1ccc(cc1)NCF 34a_100000198999_100015361967 [0,1,0,0,0,0|2,0,1]=4 2014 B12R1.116 N#CCc1ccc(cc1)OCF 34a_100000198970_100015361967 [0,1,0,0,0,0|1,0,1]=3 2015 B12R1.116 N#CCc1ccc(cc1)OCF 7a_100000198970_100015361967 [0,1,0,0,0,0|1,0,1]=3 2016 B12R1.116 N#CCc1ccc(cc1)SCF 62a_100011217881_100015361967 [0,1,0,0,0,0|1,1,1]=4 2017 B12R1.116 N#CCc1ccc(cc1)SCF 62a_100015361967_100011217881 [0,1,0,0,0,0|1,1,1]=4 2018 B12R1.116 NCCc1ccc(cc1)OCF 34a_100000743037_100015361967 [0,1,0,0,0,0|1,0,1]=3 2019 B12R1.116 NCCc1ccc(cc1)SCF 62a_100000755846_100015361967 [0,1,0,0,0,0|1,1,1]=4 2020 B12R1.116 NCCc1ccc(cc1)SCF 62a_100015361967_100000755846 [0,1,0,0,0,0|1,1,1]=4 2021 B12R1.116 NNCc1ccc(cc1)SCF 62a_100015361967_100016993955 [0,1,0,0,0,0|2,1,0]=4 2022 B12R1.116 NNCc1ccc(cc1)SCF 62a_100016993955_100015361967 [0,1,0,0,0,0|2,1,0]=4 2023 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,1,0,0,0,0|1,1,0]=3 2024 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,1,0,0,0,0|1,1,0]=3 2025 B12R1.116 OCCc1ccc(cc1)NCF 34a_100011204434_100015361967 [0,1,0,0,0,0|2,0,1]=4 2026 B12R1.116 OCCc1ccc(cc1)OCF 34a_100011215338_100015361967 [0,1,0,0,0,0|1,0,1]=3 2027 B12R1.116 OCCc1ccc(cc1)OCF 7a_100011215338_100015361967 [0,1,0,0,0,0|1,0,1]=3 2028 B12R1.116 OCCc1ccc(cc1)SCF 62a_100000766406_100015361967 [0,1,0,0,0,0|1,1,1]=4 2029 B12R1.116 OCCc1ccc(cc1)SCF 62a_100015361967_100000766406 [0,1,0,0,0,0|1,1,1]=4 2030 B12R1.116 [13CH3]OCc1ccc(cc1)CC#N 7a_100000695229_200025704644 [0,1,0,0,0,0|1,0,1]=3 2031 B12R1.288 C=C=Cc1cc(c(cn1)OC)N 271570a_100015277604_100010896307 [0,1,0,0,0,0|1,0,2]=4 2032 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [0,1,0,0,0,0|1,0,2]=4 2033 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [0,1,0,0,0,0|0,0,2]=3 2034 B12R1.288 C=C=Cc1ccc(c(c1)C)NC 271570a_100015277604_100000221803 [0,1,0,0,0,0|1,0,2]=4 2035 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [0,1,0,0,0,0|0,0,2]=3 2036 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [0,1,0,0,0,0|0,0,2]=3 2037 B12R1.288 C=C=Cc1ccc(c(c1)Cl)SC 271570a_100015277604_206447510565 [0,1,0,0,0,0|0,1,2]=4 2038 B12R1.288 C=C=Cc1ccc(c(c1)F)CC 271570a_100015277604_200010071577 [0,1,0,0,0,0|1,0,2]=4 2039 B12R1.288 C=C=Cc1ccc(c(c1)F)NC 271570a_100015277604_100000743884 [0,1,0,0,0,0|1,0,2]=4 2040 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [0,1,0,0,0,0|0,0,2]=3 2041 B12R1.288 C=C=Cc1ccc(c(c1)F)SC 271570a_100015277604_100010161220 [0,1,0,0,0,0|0,1,2]=4 2042 B12R1.288 C=C=Cc1ccc(c(c1)N)CC 271570a_100015277604_100012354963 [0,1,0,0,0,0|1,0,2]=4 2043 B12R1.288 C=C=Cc1ccc(c(c1)N)NC 271570a_100015277604_100000741790 [0,1,0,0,0,0|1,0,2]=4 2044 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [0,1,0,0,0,0|0,0,2]=3 2045 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [0,1,0,0,0,0|0,0,2]=3 2046 B12R1.288 C=C=Cc1ccc(c(n1)Br)OC 271570a_100015277604_100010214827 [0,1,0,0,0,0|1,0,2]=4 2047 B12R1.288 C=C=Cc1ccc(c(n1)C)OC 271570a_100015277604_100010244750 [0,1,0,0,0,0|1,0,2]=4 2048 B12R1.288 C=C=Cc1ccc(c(n1)Cl)OC 271570a_100015277604_100010233546 [0,1,0,0,0,0|1,0,2]=4 2049 B12R1.288 C=C=Cc1ccc(c(n1)F)OC 271570a_100015277604_100010138636 [0,1,0,0,0,0|1,0,2]=4 2050 B12R1.288 C=C=Cc1ccc(c(n1)N)OC 271570a_100015277604_100010192976 [0,1,0,0,0,0|1,0,2]=4 2051 B12R1.288 C=C=Cc1cnc(c(c1)Br)OC 271570a_100015277604_200010988584 [0,1,0,0,0,0|1,0,2]=4 2052 B12R1.288 C=C=Cc1cnc(c(c1)C)OC 271570a_100015277604_100011290809 [0,1,0,0,0,0|1,0,2]=4 2053 B12R1.288 C=C=Cc1cnc(c(c1)F)OC 271570a_100015277604_100011880707 [0,1,0,0,0,0|1,0,2]=4 2054 B12R1.288 C=C=Cc1cnc(c(c1)N)OC 271570a_100015277604_100000748608 [0,1,0,0,0,0|1,0,2]=4 2055 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [0,1,0,0,0,0|1,0,2]=4 2056 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [0,1,0,0,0,0|1,0,2]=4 2057 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [0,1,0,0,0,0|1,0,2]=4 2058 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [0,1,0,0,0,0|0,0,2]=3 2059 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [0,1,0,0,0,0|1,0,2]=4 2060 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [0,1,0,0,0,0|0,0,2]=3 2061 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [0,1,0,0,0,0|0,0,2]=3 2062 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [0,1,0,0,0,0|0,1,2]=4 2063 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [0,1,0,0,0,0|1,0,2]=4 2064 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [0,1,0,0,0,0|1,0,2]=4 2065 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [0,1,0,0,0,0|0,0,2]=3 2066 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [0,1,0,0,0,0|0,1,2]=4 2067 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [0,1,0,0,0,0|1,0,2]=4 2068 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [0,1,0,0,0,0|1,0,2]=4 2069 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [0,1,0,0,0,0|0,0,2]=3 2070 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,1,0,0,0,0|0,0,2]=3 2071 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [0,1,0,0,0,0|1,0,2]=4 2072 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [0,1,0,0,0,0|1,0,2]=4 2073 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [0,1,0,0,0,0|1,0,2]=4 2074 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [0,1,0,0,0,0|1,0,2]=4 2075 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [0,1,0,0,0,0|1,0,2]=4 2076 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [0,1,0,0,0,0|1,0,2]=4 2077 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [0,1,0,0,0,0|1,0,2]=4 2078 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [0,1,0,0,0,0|1,0,2]=4 2079 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [0,1,0,0,0,0|1,0,2]=4 2080 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [0,1,0,0,0,0|1,0,2]=4 2081 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200000210301_200010686677 [0,1,0,0,0,0|0,1,2]=4 2082 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200010686677_200000210301 [0,1,0,0,0,0|0,1,2]=4 2083 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200010686677_200025704644 [0,1,0,0,0,0|0,1,2]=4 2084 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010686677 [0,1,0,0,0,0|0,1,2]=4 2085 B12R1.288 CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210202 [0,1,0,0,0,0|1,0,2]=4 2086 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2087 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2088 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2089 B12R1.288 CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210202 [0,1,0,0,0,0|1,0,2]=4 2090 B12R1.288 CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210202 [0,1,0,0,0,0|1,0,2]=4 2091 B12R1.288 CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210202 [0,1,0,0,0,0|1,0,2]=4 2092 B12R1.288 CCNc1ccc(c(c1)F)OC 34a_100000740183_100000210202 [0,1,0,0,0,0|1,0,2]=4 2093 B12R1.288 CCNc1ccc(c(c1)I)OC 34a_100011356947_100000210202 [0,1,0,0,0,0|1,0,2]=4 2094 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [0,1,0,0,0,0|1,0,2]=4 2095 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [0,1,0,0,0,0|1,0,2]=4 2096 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [0,1,0,0,0,0|1,0,2]=4 2097 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [0,1,0,0,0,0|1,0,2]=4 2098 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [0,1,0,0,0,0|1,0,2]=4 2099 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [0,1,0,0,0,0|1,0,2]=4 2100 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [0,1,0,0,0,0|1,0,2]=4 2101 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [0,1,0,0,0,0|1,0,2]=4 2102 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [0,1,0,0,0,0|1,0,2]=4 2103 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [0,1,0,0,0,0|1,0,2]=4 2104 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [0,1,0,0,0,0|1,0,2]=4 2105 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100000210202_100011249507 [0,1,0,0,0,0|1,0,2]=4 2106 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210202 [0,1,0,0,0,0|1,0,2]=4 2107 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [0,1,0,0,0,0|1,0,2]=4 2108 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [0,1,0,0,0,0|1,0,2]=4 2109 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100000210202_100012355395 [0,1,0,0,0,0|1,0,2]=4 2110 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210202 [0,1,0,0,0,0|1,0,2]=4 2111 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210202 [0,1,0,0,0,0|1,0,2]=4 2112 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000210202_100000171752 [0,1,0,0,0,0|1,0,2]=4 2113 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100000210202_100011249504 [0,1,0,0,0,0|1,0,2]=4 2114 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210202 [0,1,0,0,0,0|1,0,2]=4 2115 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [0,1,0,0,0,0|1,0,2]=4 2116 B12R1.288 CCc1ccc(cc1Cl)CNC 26a_100102657272_100009886192 [0,1,0,0,0,0|2,0,1]=4 2117 B12R1.288 CNCc1cc(=O)c(co1)OC 2230a_106832991635_100000081511 [0,1,0,0,0,0|2,0,1]=4 2118 B12R1.288 CNCc1cc(=O)c(co1)OC 7a_106832991635_100000081511 [0,1,0,0,0,0|2,0,1]=4 2119 B12R1.288 CNCc1cc(c(cn1)OC)Br 207a_100102657272_100010893078 [0,1,0,0,0,0|2,0,1]=4 2120 B12R1.288 CNCc1cc(c(cn1)OC)Br 270004a_106832991635_100010893078 [0,1,0,0,0,0|2,0,1]=4 2121 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [0,1,0,0,0,0|1,0,1]=3 2122 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [0,1,0,0,0,0|1,0,1]=3 2123 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [0,1,0,0,0,0|1,0,1]=3 2124 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [0,1,0,0,0,0|1,0,1]=3 2125 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [0,1,0,0,0,0|1,0,1]=3 2126 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [0,1,0,0,0,0|1,0,1]=3 2127 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [0,1,0,0,0,0|1,0,1]=3 2128 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [0,1,0,0,0,0|1,0,1]=3 2129 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [0,1,0,0,0,0|1,0,1]=3 2130 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [0,1,0,0,0,0|1,0,1]=3 2131 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [0,1,0,0,0,0|1,0,1]=3 2132 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [0,1,0,0,0,0|1,0,1]=3 2133 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [0,1,0,0,0,0|1,0,1]=3 2134 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [0,1,0,0,0,0|1,0,1]=3 2135 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [0,1,0,0,0,0|1,0,1]=3 2136 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [0,1,0,0,0,0|1,0,1]=3 2137 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [0,1,0,0,0,0|1,0,1]=3 2138 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [0,1,0,0,0,0|1,0,1]=3 2139 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [0,1,0,0,0,0|1,0,1]=3 2140 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [0,1,0,0,0,0|1,0,1]=3 2141 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [0,1,0,0,0,0|1,0,1]=3 2142 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [0,1,0,0,0,0|1,0,1]=3 2143 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [0,1,0,0,0,0|1,0,1]=3 2144 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [0,1,0,0,0,0|1,0,1]=3 2145 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [0,1,0,0,0,0|1,0,1]=3 2146 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [0,1,0,0,0,0|1,0,1]=3 2147 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [0,1,0,0,0,0|1,0,1]=3 2148 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [0,1,0,0,0,0|1,0,1]=3 2149 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [0,1,0,0,0,0|1,0,1]=3 2150 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [0,1,0,0,0,0|1,0,1]=3 2151 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [0,1,0,0,0,0|1,0,1]=3 2152 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,1,0,0,0,0|1,0,1]=3 2153 B12R1.288 CNCc1ccc(c(n1)Br)OC 207a_100102657272_100010174741 [0,1,0,0,0,0|2,0,1]=4 2154 B12R1.288 CNCc1ccc(c(n1)Br)OC 270004a_106832991635_100010174741 [0,1,0,0,0,0|2,0,1]=4 2155 B12R1.288 CNCc1cnc(c(c1)Br)OC 207a_100102657272_200010064893 [0,1,0,0,0,0|2,0,1]=4 2156 B12R1.288 CNCc1cnc(c(c1)Br)OC 270004a_106832991635_200010064893 [0,1,0,0,0,0|2,0,1]=4 2157 B12R1.288 CNCc1cnc(c(c1)C)OC 207a_100102657272_100012183433 [0,1,0,0,0,0|2,0,1]=4 2158 B12R1.288 CNCc1cnc(c(c1)C)OC 270004a_106832991635_100012183433 [0,1,0,0,0,0|2,0,1]=4 2159 B12R1.288 CNCc1cnc(c(c1)Cl)OC 207a_100102657272_100000081810 [0,1,0,0,0,0|2,0,1]=4 2160 B12R1.288 CNCc1cnc(c(c1)Cl)OC 270004a_106832991635_100000081810 [0,1,0,0,0,0|2,0,1]=4 2161 B12R1.288 CNCc1cnc(c(c1)F)OC 207a_100102657272_100000081167 [0,1,0,0,0,0|2,0,1]=4 2162 B12R1.288 CNCc1cnc(c(c1)F)OC 270004a_106832991635_100000081167 [0,1,0,0,0,0|2,0,1]=4 2163 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,1,0,0,0,0|1,0,1]=3 2164 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,1,0,0,0,0|1,0,1]=3 2165 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,1,0,0,0,0|1,0,1]=3 2166 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,1,0,0,0,0|1,0,1]=3 2167 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,1,0,0,0,0|1,0,1]=3 2168 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,1,0,0,0,0|1,0,1]=3 2169 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,1,0,0,0,0|1,0,1]=3 2170 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,1,0,0,0,0|1,0,1]=3 2171 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,1,0,0,0,0|1,0,1]=3 2172 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,1,0,0,0,0|1,0,1]=3 2173 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,1,0,0,0,0|1,0,1]=3 2174 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,1,0,0,0,0|1,0,1]=3 2175 B12R1.288 COCc1ccc(c(c1)F)SC 62a_100010177442_200000210301 [0,1,0,0,0,0|1,1,1]=4 2176 B12R1.288 COCc1ccc(c(c1)F)SC 62a_200000210301_100010177442 [0,1,0,0,0,0|1,1,1]=4 2177 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_100010177442_200025704644 [0,1,0,0,0,0|1,1,1]=4 2178 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010177442 [0,1,0,0,0,0|1,1,1]=4 2179 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,1,0,0,0,0|1,0,1]=3 2180 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,1,0,0,0,0|1,0,1]=3 2181 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,1,0,0,0,0|1,0,1]=3 2182 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200000210301_200013033220 [0,1,0,0,0,0|1,1,1]=4 2183 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200013033220_200000210301 [0,1,0,0,0,0|1,1,1]=4 2184 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200013033220_200025704644 [0,1,0,0,0,0|1,1,1]=4 2185 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200025704644_200013033220 [0,1,0,0,0,0|1,1,1]=4 2186 B12R1.288 COCc1ccc(c(n1)Br)OC 34a_100010205416_200000210301 [0,1,0,0,0,0|2,0,1]=4 2187 B12R1.288 COCc1ccc(c(n1)Br)OC 7a_100010205416_200000210301 [0,1,0,0,0,0|2,0,1]=4 2188 B12R1.288 COCc1ccc(c(n1)Cl)OC 34a_100009842956_200000210301 [0,1,0,0,0,0|2,0,1]=4 2189 B12R1.288 COCc1ccc(c(n1)Cl)OC 7a_100009842956_200000210301 [0,1,0,0,0,0|2,0,1]=4 2190 B12R1.288 COCc1cnc(c(c1)Cl)OC 34a_200011438738_200000210301 [0,1,0,0,0,0|2,0,1]=4 2191 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [0,1,0,0,0,0|1,0,1]=3 2192 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,1,0,0,0,0|1,0,1]=3 2193 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,1,0,0,0,0|1,0,1]=3 2194 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [0,1,0,0,0,0|1,0,1]=3 2195 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [0,1,0,0,0,0|1,0,1]=3 2196 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [0,1,0,0,0,0|1,0,1]=3 2197 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [0,1,0,0,0,0|1,0,1]=3 2198 B12R1.288 COc1ccc(cc1Br)NCF 34a_100000187427_100015361967 [0,1,0,0,0,0|2,0,1]=4 2199 B12R1.288 COc1ccc(cc1Br)OCF 34a_100010234764_100015361967 [0,1,0,0,0,0|2,0,1]=4 2200 B12R1.288 COc1ccc(cc1Br)OCF 7a_100010234764_100015361967 [0,1,0,0,0,0|2,0,1]=4 2201 B12R1.288 COc1ccc(cc1Br)SCF 62a_100011249507_100015361967 [0,1,0,0,0,0|2,0,1]=4 2202 B12R1.288 COc1ccc(cc1Br)SCF 62a_100015361967_100011249507 [0,1,0,0,0,0|2,0,1]=4 2203 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [0,1,0,0,0,0|1,0,1]=3 2204 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [0,1,0,0,0,0|1,0,1]=3 2205 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,1,0,0,0,0|1,0,1]=3 2206 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,1,0,0,0,0|1,0,1]=3 2207 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [0,1,0,0,0,0|1,0,1]=3 2208 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [0,1,0,0,0,0|1,0,1]=3 2209 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [0,1,0,0,0,0|1,0,1]=3 2210 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [0,1,0,0,0,0|1,0,1]=3 2211 B12R1.288 COc1ccc(cc1C)NCF 34a_100000743268_100015361967 [0,1,0,0,0,0|2,0,1]=4 2212 B12R1.288 COc1ccc(cc1C)NCF 7a_100000743268_100015361967 [0,1,0,0,0,0|2,0,1]=4 2213 B12R1.288 COc1ccc(cc1C)OCF 34a_100000759738_100015361967 [0,1,0,0,0,0|2,0,1]=4 2214 B12R1.288 COc1ccc(cc1C)OCF 7a_100000759738_100015361967 [0,1,0,0,0,0|2,0,1]=4 2215 B12R1.288 COc1ccc(cc1C)SCF 62a_100011219705_100015361967 [0,1,0,0,0,0|2,0,1]=4 2216 B12R1.288 COc1ccc(cc1C)SCF 62a_100015361967_100011219705 [0,1,0,0,0,0|2,0,1]=4 2217 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [0,1,0,0,0,0|1,0,1]=3 2218 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [0,1,0,0,0,0|1,0,1]=3 2219 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,1,0,0,0,0|1,0,1]=3 2220 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,1,0,0,0,0|1,0,1]=3 2221 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [0,1,0,0,0,0|1,0,1]=3 2222 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [0,1,0,0,0,0|1,0,1]=3 2223 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [0,1,0,0,0,0|1,0,1]=3 2224 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [0,1,0,0,0,0|1,0,1]=3 2225 B12R1.288 COc1ccc(cc1Cl)NCF 34a_100000211044_100015361967 [0,1,0,0,0,0|2,0,1]=4 2226 B12R1.288 COc1ccc(cc1Cl)OCF 34a_200009861682_100015361967 [0,1,0,0,0,0|2,0,1]=4 2227 B12R1.288 COc1ccc(cc1Cl)OCF 7a_200009861682_100015361967 [0,1,0,0,0,0|2,0,1]=4 2228 B12R1.288 COc1ccc(cc1Cl)SCF 62a_100012355395_100015361967 [0,1,0,0,0,0|2,0,1]=4 2229 B12R1.288 COc1ccc(cc1Cl)SCF 62a_100015361967_100012355395 [0,1,0,0,0,0|2,0,1]=4 2230 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [0,1,0,0,0,0|1,0,1]=3 2231 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [0,1,0,0,0,0|1,0,1]=3 2232 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,1,0,0,0,0|1,0,1]=3 2233 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,1,0,0,0,0|1,0,1]=3 2234 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [0,1,0,0,0,0|1,0,1]=3 2235 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [0,1,0,0,0,0|1,0,1]=3 2236 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [0,1,0,0,0,0|1,0,1]=3 2237 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [0,1,0,0,0,0|1,0,1]=3 2238 B12R1.288 COc1ccc(cc1F)NCF 34a_100000740183_100015361967 [0,1,0,0,0,0|2,0,1]=4 2239 B12R1.288 COc1ccc(cc1F)OCF 34a_100000746305_100015361967 [0,1,0,0,0,0|2,0,1]=4 2240 B12R1.288 COc1ccc(cc1F)OCF 7a_100000746305_100015361967 [0,1,0,0,0,0|2,0,1]=4 2241 B12R1.288 COc1ccc(cc1F)SCF 62a_100000171752_100015361967 [0,1,0,0,0,0|2,0,1]=4 2242 B12R1.288 COc1ccc(cc1F)SCF 62a_100015361967_100000171752 [0,1,0,0,0,0|2,0,1]=4 2243 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,1,0,0,0,0|1,0,1]=3 2244 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,1,0,0,0,0|1,0,1]=3 2245 B12R1.288 COc1ccc(cc1I)NCF 34a_100011356947_100015361967 [0,1,0,0,0,0|2,0,1]=4 2246 B12R1.288 COc1ccc(cc1I)OCF 34a_100010084122_100015361967 [0,1,0,0,0,0|2,0,1]=4 2247 B12R1.288 COc1ccc(cc1I)OCF 7a_100010084122_100015361967 [0,1,0,0,0,0|2,0,1]=4 2248 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,1,0,0,0,0|1,0,1]=3 2249 B12R1.288 COc1ccc(cc1N)SCF 62a_100011249504_100015361967 [0,1,0,0,0,0|2,0,1]=4 2250 B12R1.288 COc1ccc(cc1N)SCF 62a_100015361967_100011249504 [0,1,0,0,0,0|2,0,1]=4 2251 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [0,1,0,0,0,0|1,0,1]=3 2252 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,1,0,0,0,0|1,0,1]=3 2253 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,1,0,0,0,0|1,0,1]=3 2254 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,1,0,0,0,0|1,0,1]=3 2255 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [0,1,0,0,0,0|2,0,1]=4 2256 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [0,1,0,0,0,0|2,0,1]=4 2257 B12R1.288 COc1ccc(nc1Br)CO[13CH3] 34a_100010205416_200025704644 [0,1,0,0,0,0|2,0,1]=4 2258 B12R1.288 COc1ccc(nc1Br)CO[13CH3] 7a_100010205416_200025704644 [0,1,0,0,0,0|2,0,1]=4 2259 B12R1.288 COc1ccc(nc1Cl)CO[13CH3] 34a_100009842956_200025704644 [0,1,0,0,0,0|2,0,1]=4 2260 B12R1.288 COc1ccc(nc1Cl)CO[13CH3] 7a_100009842956_200025704644 [0,1,0,0,0,0|2,0,1]=4 2261 B12R1.288 COc1coc(cc1=O)CSC 62a_200000210301_100000081511 [0,1,0,0,0,0|2,0,1]=4 2262 B12R1.288 COc1coc(cc1=O)CS[13CH3] 62a_200025704644_100000081511 [0,1,0,0,0,0|2,0,1]=4 2263 B12R1.288 COc1ncc(cc1Cl)CO[13CH3] 34a_200011438738_200025704644 [0,1,0,0,0,0|2,0,1]=4 2264 B12R1.288 CSc1ccc(cc1C)CC#N 62a_100000726167_200000210301 [0,1,0,0,0,0|1,1,1]=4 2265 B12R1.288 CSc1ccc(cc1C)CC#N 62a_200000210301_100000726167 [0,1,0,0,0,0|1,1,1]=4 2266 B12R1.288 CSc1ccc(cc1F)CC#N 62a_100000691973_200000210301 [0,1,0,0,0,0|1,1,1]=4 2267 B12R1.288 CSc1ccc(cc1F)CC#N 62a_200000210301_100000691973 [0,1,0,0,0,0|1,1,1]=4 2268 B12R1.288 CSc1ccc(cc1F)CCO 62a_100012921202_200000210301 [0,1,0,0,0,0|1,1,1]=4 2269 B12R1.288 CSc1ccc(cc1F)CCO 62a_200000210301_100012921202 [0,1,0,0,0,0|1,1,1]=4 2270 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_100000726167_200025704644 [0,1,0,0,0,0|1,1,1]=4 2271 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100000726167 [0,1,0,0,0,0|1,1,1]=4 2272 B12R1.288 [13CH3]Sc1ccc(cc1F)CC#N 62a_100000691973_200025704644 [0,1,0,0,0,0|1,1,1]=4 2273 B12R1.288 [13CH3]Sc1ccc(cc1F)CC#N 62a_200025704644_100000691973 [0,1,0,0,0,0|1,1,1]=4 2274 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_100012921202_200025704644 [0,1,0,0,0,0|1,1,1]=4 2275 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_200025704644_100012921202 [0,1,0,0,0,0|1,1,1]=4 2276 B10R0.108 C=CCC(=O)C=CC(=CC)C 1458a_100000692105_100000210623 [0,0,1,0,0,0|2,0,1]=4 2277 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,0,1,0,0,0|3,0,0]=4 2278 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [0,0,0,1,0,0|1,0,2]=4 2279 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [0,0,0,1,0,0|1,0,2]=4 2280 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [0,0,0,1,0,0|1,0,2]=4 2281 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,0,0,1,0,0|0,0,2]=3 2282 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,0,0,1,0,0|0,0,2]=3 2283 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,0,0,1,0,0|0,0,2]=3 2284 B12R2.9 COc1ccc(cn1)C2CC2 271570a_100011220607_100000047065 [0,0,0,1,0,0|1,0,2]=4 2285 B12R2.9 COc1ccc(nc1)C2CC2 271570a_100011220607_100000755202 [0,0,0,1,0,0|1,0,2]=4 2286 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [0,0,0,1,0,0|0,1,2]=4 2287 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [0,0,0,1,0,0|0,1,2]=4 2288 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [0,0,0,1,0,0|1,0,2]=4 2289 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,0,0,1,0,0|0,0,2]=3 2290 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,0,0,1,0,0|0,0,2]=3 2291 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [0,0,0,1,0,0|0,1,2]=4 2292 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [0,0,0,1,0,0|2,0,1]=4 2293 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,0,0,1,0,0|1,0,1]=3 2294 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,0,0,1,0,0|2,0,1]=4 2295 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [0,0,0,1,0,0|2,0,1]=4 2296 B12R2.44 CNc1ccc2c(c1)CCC2 2230a_100000211504_200000210301 [0,0,0,1,0,0|1,0,2]=4 2297 B12R2.44 CNc1ccc2c(c1)CCC2 34a_100000211504_200000210301 [0,0,0,1,0,0|1,0,2]=4 2298 B12R2.44 CNc1ccc2c(c1)COC2 2230a_100011728444_200000210301 [0,0,0,1,0,0|2,0,1]=4 2299 B12R2.44 CNc1ccc2c(c1)COC2 34a_100011728444_200000210301 [0,0,0,1,0,0|2,0,1]=4 2300 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,0,0,1,0,0|2,0,1]=4 2301 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,0,0,1,0,0|3,0,0]=4 2302 B12R2.44 CNc1ccc2ncsc2c1 34a_100011215093_200000210301 [0,0,0,1,0,0|3,0,0]=4 2303 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,0,0,1,0,0|2,0,0]=3 2304 B12R2.44 CNc1ccc2ocnc2c1 34a_100011219863_200000210301 [0,0,0,1,0,0|3,0,0]=4 2305 B12R2.44 CNc1ccc2oncc2c1 34a_100000037595_200000210301 [0,0,0,1,0,0|3,0,0]=4 2306 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [0,0,0,1,0,0|2,0,0]=3 2307 B12R2.44 CNc1ccc2sccc2n1 27a_100102657272_100012000956 [0,0,0,1,0,0|3,0,0]=4 2308 B12R2.44 CNc1ccc2scnc2c1 34a_100000047738_200000210301 [0,0,0,1,0,0|3,0,0]=4 2309 B12R2.44 CNc1ccc2sncc2c1 34a_100000077742_200000210301 [0,0,0,1,0,0|3,0,0]=4 2310 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,0,0,1,0,0|1,0,0]=2 2311 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,0,0,1,0,0|0,0,2]=3 2312 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,0,0,1,0,0|0,0,2]=3 2313 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,0,0,1,0,0|1,0,2]=4 2314 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,0,0,1,0,0|1,0,1]=3 2315 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,0,0,1,0,0|1,0,1]=3 2316 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,1,0,0|2,0,1]=4 2317 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,0,0,1,0,0|1,0,1]=3 2318 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,0,0,1,0,0|1,0,1]=3 2319 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,0,0,1,0,0|1,0,1]=3 2320 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,0,0,1,0,0|2,0,1]=4 2321 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,0,0,1,0,0|2,0,1]=4 2322 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,0,0,1,0,0|2,0,0]=3 2323 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,0,0,1,0,0|2,0,0]=3 2324 B12R2.44 COc1ccc2nonc2c1 34a_100000036933_200000210301 [0,0,0,1,0,0|3,0,0]=4 2325 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,0,0,1,0,0|1,0,0]=2 2326 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,0,0,1,0,0|1,0,0]=2 2327 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,0,0,1,0,0|1,0,0]=2 2328 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,0,0,1,0,0|1,0,0]=2 2329 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,0,0,1,0,0|2,0,0]=3 2330 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,0,0,1,0,0|2,0,0]=3 2331 B12R2.44 COc1ccn2ccnc2c1 34a_100009863278_200000210301 [0,0,0,1,0,0|2,0,1]=4 2332 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [0,0,0,1,0,0|2,0,0]=3 2333 B12R2.44 CSc1cc2cc[nH]c2cn1 62a_200000210301_100009864809 [0,0,0,1,0,0|2,1,0]=4 2334 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [0,0,0,1,0,0|1,1,0]=3 2335 B12R2.44 CSc1ccc2[nH]ccc2n1 62a_200000210301_100000087148 [0,0,0,1,0,0|2,1,0]=4 2336 B12R2.44 CSc1ccc2[nH]cnc2c1 62a_200000210301_100011265325 [0,0,0,1,0,0|2,1,0]=4 2337 B12R2.44 CSc1ccc2[nH]ncc2c1 62a_200000210301_100000049815 [0,0,0,1,0,0|2,1,0]=4 2338 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,0,0,1,0,0|0,1,0]=2 2339 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,0,0,1,0,0|0,1,0]=2 2340 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [0,0,0,1,0,0|0,1,2]=4 2341 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [0,0,0,1,0,0|0,1,2]=4 2342 B12R2.44 CSc1ccc2c(c1)CCC2 62a_100000745594_200000210301 [0,0,0,1,0,0|0,1,2]=4 2343 B12R2.44 CSc1ccc2c(c1)CCC2 62a_200000210301_100000745594 [0,0,0,1,0,0|0,1,2]=4 2344 B12R2.44 CSc1ccc2c(c1)CNC2 62a_100000702344_200000210301 [0,0,0,1,0,0|1,1,1]=4 2345 B12R2.44 CSc1ccc2c(c1)CNC2 62a_200000210301_100000702344 [0,0,0,1,0,0|1,1,1]=4 2346 B12R2.44 CSc1ccc2c(c1)COC2 62a_100000698232_200000210301 [0,0,0,1,0,0|1,1,1]=4 2347 B12R2.44 CSc1ccc2c(c1)COC2 62a_200000210301_100000698232 [0,0,0,1,0,0|1,1,1]=4 2348 B12R2.44 CSc1ccc2c(c1)NCC2 62a_100000754641_200000210301 [0,0,0,1,0,0|1,1,1]=4 2349 B12R2.44 CSc1ccc2c(c1)NCC2 62a_200000210301_100000754641 [0,0,0,1,0,0|1,1,1]=4 2350 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,1,0,0|1,1,1]=4 2351 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,1,0,0|1,1,1]=4 2352 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [0,0,0,1,0,0|1,1,1]=4 2353 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,0,0,1,0,0|1,1,1]=4 2354 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [0,0,0,1,0,0|1,1,1]=4 2355 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [0,0,0,1,0,0|1,1,1]=4 2356 B12R2.44 CSc1ccc2nccn2c1 62a_100000746083_200000210301 [0,0,0,1,0,0|2,1,0]=4 2357 B12R2.44 CSc1ccc2nccn2c1 62a_200000210301_100000746083 [0,0,0,1,0,0|2,1,0]=4 2358 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,0,0,1,0,0|2,1,0]=4 2359 B12R2.44 CSc1ccc2ncsc2c1 62a_100009816678_200000210301 [0,0,0,1,0,0|2,1,0]=4 2360 B12R2.44 CSc1ccc2ncsc2c1 62a_200000210301_100009816678 [0,0,0,1,0,0|2,1,0]=4 2361 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,0,0,1,0,0|1,1,0]=3 2362 B12R2.44 CSc1ccc2occc2n1 62a_200000210301_100009851292 [0,0,0,1,0,0|2,1,0]=4 2363 B12R2.44 CSc1ccc2ocnc2c1 62a_200000210301_100009816175 [0,0,0,1,0,0|2,1,0]=4 2364 B12R2.44 CSc1ccc2oncc2c1 62a_200000210301_100009817723 [0,0,0,1,0,0|2,1,0]=4 2365 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [0,0,0,1,0,0|1,1,0]=3 2366 B12R2.44 CSc1ccc2sccc2n1 62a_200000210301_100012000956 [0,0,0,1,0,0|2,1,0]=4 2367 B12R2.44 CSc1ccc2scnc2c1 62a_200000210301_100010005895 [0,0,0,1,0,0|2,1,0]=4 2368 B12R2.44 CSc1ccn2nccc2c1 62a_200000210301_100000763084 [0,0,0,1,0,0|2,1,0]=4 2369 B12R2.44 CSc1cnc2[nH]ccc2c1 62a_200000210301_100000760471 [0,0,0,1,0,0|2,1,0]=4 2370 B12R2.44 CSc1cnc2sccc2c1 62a_200000210301_100010135160 [0,0,0,1,0,0|2,1,0]=4 2371 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 2230a_100000211504_200025704644 [0,0,0,1,0,0|1,0,2]=4 2372 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 34a_100000211504_200025704644 [0,0,0,1,0,0|1,0,2]=4 2373 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 2230a_100011728444_200025704644 [0,0,0,1,0,0|2,0,1]=4 2374 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 34a_100011728444_200025704644 [0,0,0,1,0,0|2,0,1]=4 2375 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,0,0,1,0,0|2,0,1]=4 2376 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,0,0,1,0,0|3,0,0]=4 2377 B12R2.44 [13CH3]Nc1ccc2ncsc2c1 34a_100011215093_200025704644 [0,0,0,1,0,0|3,0,0]=4 2378 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,0,0,1,0,0|2,0,0]=3 2379 B12R2.44 [13CH3]Nc1ccc2ocnc2c1 34a_100011219863_200025704644 [0,0,0,1,0,0|3,0,0]=4 2380 B12R2.44 [13CH3]Nc1ccc2oncc2c1 34a_100000037595_200025704644 [0,0,0,1,0,0|3,0,0]=4 2381 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [0,0,0,1,0,0|2,0,0]=3 2382 B12R2.44 [13CH3]Nc1ccc2scnc2c1 34a_100000047738_200025704644 [0,0,0,1,0,0|3,0,0]=4 2383 B12R2.44 [13CH3]Nc1ccc2sncc2c1 34a_100000077742_200025704644 [0,0,0,1,0,0|3,0,0]=4 2384 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,0,0,1,0,0|1,0,0]=2 2385 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,0,0,1,0,0|0,0,2]=3 2386 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,0,0,1,0,0|0,0,2]=3 2387 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,0,0,1,0,0|1,0,2]=4 2388 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,0,0,1,0,0|1,0,1]=3 2389 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,0,0,1,0,0|1,0,1]=3 2390 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,1,0,0|2,0,1]=4 2391 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,0,0,1,0,0|1,0,1]=3 2392 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,0,0,1,0,0|1,0,1]=3 2393 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,0,0,1,0,0|1,0,1]=3 2394 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,0,0,1,0,0|2,0,1]=4 2395 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,0,0,1,0,0|2,0,1]=4 2396 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,0,0,1,0,0|2,0,0]=3 2397 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,0,0,1,0,0|2,0,0]=3 2398 B12R2.44 [13CH3]Oc1ccc2nonc2c1 34a_100000036933_200025704644 [0,0,0,1,0,0|3,0,0]=4 2399 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,0,0,1,0,0|1,0,0]=2 2400 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,0,0,1,0,0|1,0,0]=2 2401 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,0,0,1,0,0|1,0,0]=2 2402 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,0,0,1,0,0|1,0,0]=2 2403 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,0,0,1,0,0|2,0,0]=3 2404 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,0,0,1,0,0|2,0,0]=3 2405 B12R2.44 [13CH3]Oc1ccn2ccnc2c1 34a_100009863278_200025704644 [0,0,0,1,0,0|2,0,1]=4 2406 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [0,0,0,1,0,0|2,0,0]=3 2407 B12R2.44 [13CH3]Sc1cc2cc[nH]c2cn1 62a_200025704644_100009864809 [0,0,0,1,0,0|2,1,0]=4 2408 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [0,0,0,1,0,0|1,1,0]=3 2409 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2n1 62a_200025704644_100000087148 [0,0,0,1,0,0|2,1,0]=4 2410 B12R2.44 [13CH3]Sc1ccc2[nH]cnc2c1 62a_200025704644_100011265325 [0,0,0,1,0,0|2,1,0]=4 2411 B12R2.44 [13CH3]Sc1ccc2[nH]ncc2c1 62a_200025704644_100000049815 [0,0,0,1,0,0|2,1,0]=4 2412 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,0,0,1,0,0|0,1,0]=2 2413 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,0,0,1,0,0|0,1,0]=2 2414 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [0,0,0,1,0,0|0,1,2]=4 2415 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [0,0,0,1,0,0|0,1,2]=4 2416 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_100000745594_200025704644 [0,0,0,1,0,0|0,1,2]=4 2417 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_200025704644_100000745594 [0,0,0,1,0,0|0,1,2]=4 2418 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_100000702344_200025704644 [0,0,0,1,0,0|1,1,1]=4 2419 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_200025704644_100000702344 [0,0,0,1,0,0|1,1,1]=4 2420 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_100000698232_200025704644 [0,0,0,1,0,0|1,1,1]=4 2421 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_200025704644_100000698232 [0,0,0,1,0,0|1,1,1]=4 2422 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_100000754641_200025704644 [0,0,0,1,0,0|1,1,1]=4 2423 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_200025704644_100000754641 [0,0,0,1,0,0|1,1,1]=4 2424 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,1,0,0|1,1,1]=4 2425 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,1,0,0|1,1,1]=4 2426 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [0,0,0,1,0,0|1,1,1]=4 2427 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,0,0,1,0,0|1,1,1]=4 2428 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [0,0,0,1,0,0|1,1,1]=4 2429 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [0,0,0,1,0,0|1,1,1]=4 2430 B12R2.44 [13CH3]Sc1ccc2nccn2c1 62a_100000746083_200025704644 [0,0,0,1,0,0|2,1,0]=4 2431 B12R2.44 [13CH3]Sc1ccc2nccn2c1 62a_200025704644_100000746083 [0,0,0,1,0,0|2,1,0]=4 2432 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,0,0,1,0,0|2,1,0]=4 2433 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_100009816678_200025704644 [0,0,0,1,0,0|2,1,0]=4 2434 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_200025704644_100009816678 [0,0,0,1,0,0|2,1,0]=4 2435 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,0,0,1,0,0|1,1,0]=3 2436 B12R2.44 [13CH3]Sc1ccc2occc2n1 62a_200025704644_100009851292 [0,0,0,1,0,0|2,1,0]=4 2437 B12R2.44 [13CH3]Sc1ccc2ocnc2c1 62a_200025704644_100009816175 [0,0,0,1,0,0|2,1,0]=4 2438 B12R2.44 [13CH3]Sc1ccc2oncc2c1 62a_200025704644_100009817723 [0,0,0,1,0,0|2,1,0]=4 2439 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [0,0,0,1,0,0|1,1,0]=3 2440 B12R2.44 [13CH3]Sc1ccc2sccc2n1 62a_200025704644_100012000956 [0,0,0,1,0,0|2,1,0]=4 2441 B12R2.44 [13CH3]Sc1ccc2scnc2c1 62a_200025704644_100010005895 [0,0,0,1,0,0|2,1,0]=4 2442 B12R2.44 [13CH3]Sc1ccn2nccc2c1 62a_200025704644_100000763084 [0,0,0,1,0,0|2,1,0]=4 2443 B12R2.44 [13CH3]Sc1cnc2[nH]ccc2c1 62a_200025704644_100000760471 [0,0,0,1,0,0|2,1,0]=4 2444 B12R2.44 [13CH3]Sc1cnc2sccc2c1 62a_200025704644_100010135160 [0,0,0,1,0,0|2,1,0]=4 2445 B12R2.143 C=C=Cc1ccc2c(c1)CC2 271570a_100015277604_100009818592 [0,0,0,1,0,0|1,0,2]=4 2446 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,0,0,1,0,0|1,0,2]=4 2447 B12R2.143 CNCc1ccc2c(c1)CC2 207a_100102657272_100010273998 [0,0,0,1,0,0|2,0,1]=4 2448 B12R2.143 CNCc1ccc2c(c1)CC2 270004a_106832991635_100010273998 [0,0,0,1,0,0|2,0,1]=4 2449 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [0,0,0,1,0,0|2,0,1]=4 2450 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [0,0,0,1,0,0|2,0,1]=4 2451 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [0,0,0,1,0,0|2,0,1]=4 2452 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [0,0,0,1,0,0|2,0,1]=4 2453 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [1,0,1,0,0,0|2,0,0]=4 2454 B9R0.5 C=CCC(=O)C=CCOC 1458a_100016285016_100000210623 [1,0,1,0,0,0|1,0,1]=4 2455 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [2,0,0,0,0,0|1,0,1]=4 2456 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [2,0,0,0,0,0|1,0,1]=4 2457 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|1,0,0]=3 2458 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|0,0,0]=2 2459 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|1,0,0]=3 2460 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|1,0,0]=3 2461 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,0]=3 2462 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,0]=2 2463 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [2,0,0,0,0,0|2,0,0]=4 2464 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|1,0,0]=3 2465 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [2,0,0,0,0,0|2,0,0]=4 2466 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [2,0,0,0,0,0|2,0,0]=4 2467 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [2,0,0,0,0,0|2,0,0]=4 2468 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|1,0,0]=3 2469 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [2,0,0,0,0,0|2,0,0]=4 2470 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|1,0,0]=3 2471 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [2,0,0,0,0,0|2,0,0]=4 2472 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [2,0,0,0,0,0|2,0,0]=4 2473 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [2,0,0,0,0,0|2,0,0]=4 2474 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [2,0,0,0,0,0|2,0,0]=4 2475 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [2,0,0,0,0,0|2,0,0]=4 2476 B9R1.1 C=Cc1cnc(nc1)C 271570a_100011290941_100000686985 [2,0,0,0,0,0|2,0,0]=4 2477 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [2,0,0,0,0,0|2,0,0]=4 2478 B9R1.1 C=Cc1ncc(cn1)O 271570a_100011290941_100000730009 [2,0,0,0,0,0|2,0,0]=4 2479 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,1]=3 2480 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,1]=4 2481 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,1]=4 2482 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2483 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2484 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,0]=3 2485 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2486 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2487 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 2488 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 2489 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,1]=4 2490 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,1]=4 2491 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,0,0,0,0,0|2,0,0]=4 2492 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 2493 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 2494 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|0,0,0]=2 2495 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|0,0,0]=2 2496 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 2497 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 2498 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|1,0,0]=3 2499 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 2500 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 2501 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 2502 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,0]=3 2503 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|1,0,0]=3 2504 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,0,0,0,0,0|2,0,0]=4 2505 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,0,0,0,0,0|2,0,0]=4 2506 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,0,0,0,0,0|2,0,0]=4 2507 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|2,0,0]=4 2508 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2509 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2510 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|1,0,0]=3 2511 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|1,0,0]=3 2512 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 2513 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 2514 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 2515 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 2516 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2517 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2518 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2519 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2520 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|2,0,0]=4 2521 B9R1.1 COc1cnc(nc1)C 34a_100000062939_200000210301 [2,0,0,0,0,0|2,0,0]=4 2522 B9R1.1 COc1cnc(nc1)C 7a_100000062939_200000210301 [2,0,0,0,0,0|2,0,0]=4 2523 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|1,1,0]=4 2524 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|1,1,0]=4 2525 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|0,1,0]=3 2526 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|0,1,0]=3 2527 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|1,1,0]=4 2528 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|1,1,0]=4 2529 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|1,1,0]=4 2530 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|1,1,0]=4 2531 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 2532 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|1,1,0]=4 2533 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,1]=4 2534 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,1]=4 2535 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [2,0,0,0,0,0|1,1,0]=4 2536 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [2,0,0,0,0,0|1,1,0]=4 2537 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [2,0,0,0,0,0|1,1,0]=4 2538 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [2,0,0,0,0,0|1,1,0]=4 2539 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,0]=3 2540 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|0,0,0]=2 2541 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|0,0,0]=2 2542 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|0,1,0]=3 2543 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|0,1,0]=3 2544 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|1,0,0]=3 2545 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|1,0,0]=3 2546 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [2,0,0,0,0,0|1,1,0]=4 2547 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [2,0,0,0,0,0|1,1,0]=4 2548 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|1,0,0]=3 2549 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [2,0,0,0,0,0|1,1,0]=4 2550 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [2,0,0,0,0,0|1,1,0]=4 2551 B9R1.1 Cc1ncc(cn1)O[13CH3] 34a_100000062939_200025704644 [2,0,0,0,0,0|2,0,0]=4 2552 B9R1.1 Cc1ncc(cn1)O[13CH3] 7a_100000062939_200025704644 [2,0,0,0,0,0|2,0,0]=4 2553 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 2554 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,0]=3 2555 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|2,0,0]=4 2556 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|2,0,0]=4 2557 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 2558 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,0]=3 2559 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|2,0,0]=4 2560 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|2,0,0]=4 2561 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,0]=3 2562 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|2,0,0]=4 2563 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|2,0,0]=4 2564 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 2565 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2566 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2567 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2568 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2569 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 2570 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 2571 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,1]=4 2572 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,0,0,0,0,0|2,0,0]=4 2573 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 2574 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 2575 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 2576 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 2577 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|1,0,0]=3 2578 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 2579 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 2580 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 2581 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,0,0,0,0,0|2,0,0]=4 2582 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,0,0,0,0,0|2,0,0]=4 2583 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,0,0,0,0,0|2,0,0]=4 2584 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2585 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2586 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 2587 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 2588 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 2589 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 2590 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2591 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2592 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2593 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2594 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|1,1,0]=4 2595 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|1,1,0]=4 2596 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|1,1,0]=4 2597 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|1,1,0]=4 2598 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|1,1,0]=4 2599 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|1,1,0]=4 2600 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 2601 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|1,1,0]=4 2602 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,1]=4 2603 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|0,0,2]=4 2604 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 2605 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,1]=4 2606 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 2607 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,1]=4 2608 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,1]=4 2609 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 2610 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,1]=4 2611 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,1]=4 2612 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,1]=4 2613 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,1]=4 2614 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,1]=4 2615 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,1]=4 2616 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,1]=4 2617 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 2618 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 2619 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,1]=4 2620 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,1]=4 2621 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,1]=4 2622 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,1]=4 2623 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,1,1,0,0,0|2,0,0]=4 2624 B11R0.70 C=CCNC(=O)C=CC(=O)OC 1626a_100020586998_100016283253 [0,1,1,0,0,0|2,0,0]=4 2625 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [1,1,0,0,0,0|0,0,2]=4 2626 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [1,1,0,0,0,0|0,0,2]=4 2627 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [1,1,0,0,0,0|0,0,2]=4 2628 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [1,1,0,0,0,0|0,0,2]=4 2629 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [1,1,0,0,0,0|0,0,2]=4 2630 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [1,1,0,0,0,0|0,0,2]=4 2631 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [1,1,0,0,0,0|1,0,0]=3 2632 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [1,1,0,0,0,0|1,0,0]=3 2633 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,1,0,0,0,0|0,0,0]=2 2634 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [1,1,0,0,0,0|1,0,0]=3 2635 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [1,1,0,0,0,0|1,0,0]=3 2636 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [1,1,0,0,0,0|1,0,0]=3 2637 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [1,1,0,0,0,0|1,0,0]=3 2638 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,1,0,0,0,0|0,0,0]=2 2639 B11R1.1 C=CCNc1ccc(cn1)Br 27a_100020586998_100000686858 [1,1,0,0,0,0|2,0,0]=4 2640 B11R1.1 C=CCNc1ccc(nn1)C 27a_100020586998_100000744512 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.1 C=CCNc1cnc(cn1)C 27a_100020586998_100000074397 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.1 C=CCNc1ncc(cn1)C 27a_100020586998_100000061069 [1,1,0,0,0,0|2,0,0]=4 2643 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [1,1,0,0,0,0|1,0,1]=4 2644 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [1,1,0,0,0,0|1,0,0]=3 2645 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [1,1,0,0,0,0|1,0,0]=3 2646 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,1,0,0,0,0|0,0,0]=2 2647 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,1,0,0,0,0|0,0,0]=2 2648 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [1,1,0,0,0,0|1,0,0]=3 2649 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [1,1,0,0,0,0|1,0,0]=3 2650 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [1,1,0,0,0,0|1,0,0]=3 2651 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [1,1,0,0,0,0|1,0,0]=3 2652 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [1,1,0,0,0,0|1,0,0]=3 2653 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [1,1,0,0,0,0|1,0,0]=3 2654 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,1,0,0,0,0|0,0,0]=2 2655 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [1,1,0,0,0,0|1,0,0]=3 2656 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [1,1,0,0,0,0|2,0,0]=4 2658 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [1,1,0,0,0,0|1,0,0]=3 2662 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [1,1,0,0,0,0|1,0,0]=3 2663 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [1,1,0,0,0,0|2,0,0]=4 2668 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [1,1,0,0,0,0|2,0,0]=4 2670 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [1,1,0,0,0,0|2,0,0]=4 2671 B11R1.1 C=CCOc1cnc(nc1)C 34a_100000062939_100015514636 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.1 C=CCOc1cnc(nc1)C 7a_100000062939_100015514636 [1,1,0,0,0,0|2,0,0]=4 2673 B11R1.1 C=CCSc1cc[n+](cc1)[O-] 62a_100000210623_100000039755 [1,1,0,0,0,0|1,0,1]=4 2674 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [1,1,0,0,0,0|1,0,1]=4 2675 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [1,1,0,0,0,0|1,0,1]=4 2676 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [1,1,0,0,0,0|1,0,0]=3 2677 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [1,1,0,0,0,0|1,0,0]=3 2678 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,1,0,0,0,0|0,0,0]=2 2679 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,1,0,0,0,0|0,0,0]=2 2680 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [1,1,0,0,0,0|1,0,0]=3 2681 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [1,1,0,0,0,0|1,0,0]=3 2682 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [1,1,0,0,0,0|1,0,0]=3 2683 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [1,1,0,0,0,0|1,0,0]=3 2684 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [1,1,0,0,0,0|1,0,0]=3 2685 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [1,1,0,0,0,0|1,0,0]=3 2686 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,1,0,0,0,0|0,0,0]=2 2687 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000210623_100000686858 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000686858_100000210623 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [1,1,0,0,0,0|1,0,0]=3 2690 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [1,1,0,0,0,0|1,0,0]=3 2691 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000210623_100000744514 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000744514_100000210623 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000210623_100000737798 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000737798_100000210623 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [1,1,0,0,0,0|1,0,0]=3 2698 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [1,1,0,0,0,0|1,0,0]=3 2699 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100000210623_100009814638 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100009814638_100000210623 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000210623_100000751577 [1,1,0,0,0,0|1,0,0]=3 2702 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000751577_100000210623 [1,1,0,0,0,0|1,0,0]=3 2703 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000034144_100000210623 [1,1,0,0,0,0|2,0,0]=4 2704 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000210623_100000034144 [1,1,0,0,0,0|2,0,0]=4 2705 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000042367_100000210623 [1,1,0,0,0,0|2,0,0]=4 2706 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000210623_100000042367 [1,1,0,0,0,0|2,0,0]=4 2707 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000187370_100000210623 [1,1,0,0,0,0|2,0,0]=4 2708 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000210623_100000187370 [1,1,0,0,0,0|2,0,0]=4 2709 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000210623_100000744512 [1,1,0,0,0,0|2,0,0]=4 2710 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000744512_100000210623 [1,1,0,0,0,0|2,0,0]=4 2711 B11R1.1 C=CCSc1cnc(cn1)C 62a_100000210623_100011999403 [1,1,0,0,0,0|2,0,0]=4 2712 B11R1.1 C=CCSc1cnc(cn1)C 62a_100011999403_100000210623 [1,1,0,0,0,0|2,0,0]=4 2713 B11R1.1 C=CCSc1cnc(cn1)O 62a_100000210623_100015839800 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.1 C=CCSc1cnc(cn1)O 62a_100011934580_100000210623 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000210623_100000686985 [1,1,0,0,0,0|2,0,0]=4 2716 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000686985_100000210623 [1,1,0,0,0,0|2,0,0]=4 2717 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000061069_100000210623 [1,1,0,0,0,0|2,0,0]=4 2718 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000210623_100000061069 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000210623_100000092845 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000730009_100000210623 [1,1,0,0,0,0|2,0,0]=4 2721 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|0,0,2]=4 2723 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|0,0,2]=4 2724 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|0,0,2]=4 2725 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|0,0,2]=4 2726 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|0,0,2]=4 2727 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|0,0,2]=4 2728 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|0,0,2]=4 2729 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|0,0,2]=4 2730 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|0,0,2]=4 2731 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|0,0,2]=4 2732 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|0,0,2]=4 2733 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|0,0,2]=4 2734 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|0,0,2]=4 2735 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|0,0,2]=4 2736 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|0,0,2]=4 2737 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|0,0,2]=4 2738 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|0,0,2]=4 2739 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|0,0,2]=4 2740 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|0,0,2]=4 2741 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|0,0,2]=4 2742 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|0,0,2]=4 2743 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|0,0,2]=4 2744 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|0,0,2]=4 2745 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|0,0,2]=4 2746 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|0,0,2]=4 2747 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|0,0,2]=4 2748 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|0,0,2]=4 2749 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|0,0,2]=4 2750 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|0,0,2]=4 2751 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|0,0,2]=4 2752 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|0,0,2]=4 2753 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|0,0,2]=4 2754 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,2]=4 2755 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|0,0,2]=4 2756 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|0,0,2]=4 2757 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|0,0,2]=4 2758 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|0,0,2]=4 2759 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|0,0,2]=4 2760 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|0,0,2]=4 2761 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|1,0,1]=4 2762 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|1,0,1]=4 2763 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|1,0,1]=4 2764 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|1,0,1]=4 2765 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|0,0,2]=4 2766 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|0,0,2]=4 2767 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|0,0,2]=4 2768 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|0,0,2]=4 2769 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|1,0,1]=4 2770 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|1,0,1]=4 2771 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|1,0,1]=4 2772 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|1,0,1]=4 2773 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|1,0,1]=4 2774 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|1,0,1]=4 2775 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|0,0,2]=4 2776 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|0,0,2]=4 2777 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|0,0,2]=4 2778 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|0,0,2]=4 2779 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|0,0,2]=4 2780 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|0,0,2]=4 2781 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|1,0,1]=4 2782 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|1,0,1]=4 2783 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|1,0,1]=4 2784 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|1,0,1]=4 2785 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|1,0,1]=4 2786 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,0]=3 2787 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|1,0,1]=4 2788 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|1,0,1]=4 2789 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [1,1,0,0,0,0|1,0,1]=4 2790 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|1,0,0]=3 2791 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|1,0,0]=3 2792 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|1,0,1]=4 2793 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|1,0,1]=4 2794 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|1,0,1]=4 2795 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|1,0,1]=4 2796 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [1,1,0,0,0,0|1,0,1]=4 2797 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [1,1,0,0,0,0|1,0,1]=4 2798 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|1,0,0]=3 2799 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|1,0,0]=3 2800 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|1,0,1]=4 2801 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|1,0,1]=4 2802 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|1,0,1]=4 2803 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|1,0,1]=4 2804 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [1,1,0,0,0,0|2,0,0]=4 2805 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [1,1,0,0,0,0|2,0,0]=4 2806 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [1,1,0,0,0,0|2,0,0]=4 2807 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [1,1,0,0,0,0|2,0,0]=4 2808 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [1,1,0,0,0,0|2,0,0]=4 2809 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [1,1,0,0,0,0|2,0,0]=4 2810 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [1,1,0,0,0,0|2,0,0]=4 2811 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|0,0,2]=4 2812 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [1,1,0,0,0,0|1,0,1]=4 2813 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [1,1,0,0,0,0|1,0,1]=4 2814 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [1,1,0,0,0,0|1,0,1]=4 2815 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|0,0,2]=4 2816 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|1,0,1]=4 2817 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|1,0,1]=4 2818 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|2,0,0]=4 2819 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|2,0,0]=4 2820 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|2,0,0]=4 2821 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,1]=3 2822 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|2,0,0]=4 2825 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|2,0,0]=4 2826 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,0]=3 2829 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|2,0,0]=4 2833 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|2,0,0]=4 2834 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|2,0,0]=4 2835 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|2,0,0]=4 2838 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|2,0,0]=4 2839 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,0]=3 2843 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [1,1,0,0,0,0|2,0,0]=4 2845 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|0,0,2]=4 2846 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,1]=4 2847 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|1,0,1]=4 2848 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|1,0,1]=4 2849 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 2850 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,0,1]=4 2851 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|1,0,1]=4 2852 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|1,0,1]=4 2853 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,2]=4 2854 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|0,0,2]=4 2855 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|0,0,2]=4 2856 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|0,0,2]=4 2857 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|0,0,2]=4 2858 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,1]=4 2859 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,1]=4 2860 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|0,0,1]=3 2861 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|0,0,1]=3 2862 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,1]=4 2863 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,1]=4 2864 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,1]=4 2865 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,1]=4 2866 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,1]=4 2867 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,1]=4 2868 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|0,0,1]=3 2869 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|0,0,1]=3 2870 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|1,0,1]=4 2871 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|1,0,1]=4 2872 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|1,0,1]=4 2873 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|1,0,1]=4 2874 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|1,0,1]=4 2875 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|1,0,1]=4 2876 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|1,0,1]=4 2877 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|1,0,1]=4 2878 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|1,0,1]=4 2879 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|1,0,1]=4 2880 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|1,0,1]=4 2881 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|1,0,1]=4 2882 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,0|1,0,1]=4 2883 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|0,0,2]=4 2884 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|1,0,1]=4 2885 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|1,0,1]=4 2886 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|1,0,1]=4 2887 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|1,0,1]=4 2888 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|1,0,1]=4 2889 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|0,0,1]=3 2890 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|1,0,1]=4 2891 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|1,0,1]=4 2892 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|1,0,1]=4 2893 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|1,0,1]=4 2894 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|1,0,1]=4 2895 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|1,0,1]=4 2896 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|1,0,1]=4 2897 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|1,0,1]=4 2898 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|1,0,1]=4 2899 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|1,0,1]=4 2900 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|1,0,1]=4 2901 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,0]=3 2902 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,1,0,0,0,0|1,0,1]=4 2906 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,1,0,0,0,0|1,0,1]=4 2907 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,1]=4 2908 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,1]=4 2909 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,1]=4 2910 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,1]=4 2911 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|0,0,1]=3 2912 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|1,0,1]=4 2913 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|0,0,2]=4 2914 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|0,0,2]=4 2915 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|0,0,2]=4 2916 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|1,0,1]=4 2917 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|1,0,1]=4 2918 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|1,0,1]=4 2919 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|1,0,1]=4 2920 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|1,0,1]=4 2921 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|1,0,1]=4 2922 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|1,0,1]=4 2923 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|1,0,1]=4 2924 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,1]=4 2925 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,1]=4 2926 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 2927 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 2928 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|1,0,1]=4 2929 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|1,0,1]=4 2930 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|1,0,1]=4 2931 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|1,0,1]=4 2932 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|1,0,1]=4 2933 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|1,0,1]=4 2934 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|1,0,1]=4 2935 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 2936 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 2937 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,1,0,0,0,0|1,0,1]=4 2938 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,1]=4 2939 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,1]=4 2940 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,1]=4 2941 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,1]=4 2942 B11R1.81 C=C=Cc1ccc(cc1Br)C 271570a_100015277604_100009813563 [1,1,0,0,0,0|0,0,2]=4 2943 B11R1.81 C=C=Cc1ccc(cc1Br)O 271570a_100015277604_100000701344 [1,1,0,0,0,0|0,0,2]=4 2944 B11R1.81 C=C=Cc1ccc(cc1C)C 271570a_100015277604_100011217332 [1,1,0,0,0,0|0,0,2]=4 2945 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [1,1,0,0,0,0|0,0,2]=4 2946 B11R1.81 C=C=Cc1ccc(cc1Cl)C 271570a_100015277604_100011263221 [1,1,0,0,0,0|0,0,2]=4 2947 B11R1.81 C=C=Cc1ccc(cc1Cl)O 271570a_100015277604_100000047559 [1,1,0,0,0,0|0,0,2]=4 2948 B11R1.81 C=C=Cc1ccc(cc1F)C 271570a_100015277604_100011216119 [1,1,0,0,0,0|0,0,2]=4 2949 B11R1.81 C=C=Cc1ccc(cc1F)O 271570a_100015277604_100000755031 [1,1,0,0,0,0|0,0,2]=4 2950 B11R1.81 C=C=Cc1ccc(cc1N)C 271570a_100015277604_100011216686 [1,1,0,0,0,0|0,0,2]=4 2951 B11R1.81 C=C=Cc1ccc(cc1N)O 271570a_100015277604_100011999798 [1,1,0,0,0,0|0,0,2]=4 2952 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [1,1,0,0,0,0|0,0,2]=4 2953 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [1,1,0,0,0,0|0,0,2]=4 2954 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [1,1,0,0,0,0|0,0,2]=4 2955 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,1,0,0,0,0|0,0,2]=4 2956 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [1,1,0,0,0,0|0,0,2]=4 2957 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,1,0,0,0,0|0,0,2]=4 2958 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [1,1,0,0,0,0|0,0,2]=4 2959 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|0,0,2]=4 2960 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [1,1,0,0,0,0|0,0,2]=4 2961 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,1,0,0,0,0|0,0,2]=4 2962 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [1,1,0,0,0,0|0,0,2]=4 2963 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,1,0,0,0,0|0,0,2]=4 2964 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|0,0,2]=4 2965 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|0,0,2]=4 2966 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [1,1,0,0,0,0|1,0,1]=4 2967 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [1,1,0,0,0,0|1,0,1]=4 2968 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [1,1,0,0,0,0|1,0,1]=4 2969 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [1,1,0,0,0,0|1,0,1]=4 2970 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [1,1,0,0,0,0|1,0,1]=4 2971 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [1,1,0,0,0,0|1,0,1]=4 2972 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [1,1,0,0,0,0|1,0,1]=4 2973 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [1,1,0,0,0,0|1,0,1]=4 2974 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [1,1,0,0,0,0|1,0,1]=4 2975 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [1,1,0,0,0,0|1,0,1]=4 2976 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [1,1,0,0,0,0|1,0,1]=4 2977 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [1,1,0,0,0,0|1,0,1]=4 2978 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [1,1,0,0,0,0|1,0,1]=4 2979 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [1,1,0,0,0,0|1,0,1]=4 2980 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [1,1,0,0,0,0|1,0,1]=4 2981 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [1,1,0,0,0,0|1,0,1]=4 2982 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2983 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [1,1,0,0,0,0|1,0,1]=4 2984 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [1,1,0,0,0,0|1,0,1]=4 2985 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [1,1,0,0,0,0|1,0,1]=4 2986 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [1,1,0,0,0,0|1,0,1]=4 2987 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [1,1,0,0,0,0|1,0,1]=4 2988 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [1,1,0,0,0,0|1,0,1]=4 2989 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [1,1,0,0,0,0|1,0,1]=4 2990 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [1,1,0,0,0,0|1,0,1]=4 2991 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [1,1,0,0,0,0|1,0,1]=4 2992 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [1,1,0,0,0,0|1,0,1]=4 2993 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [1,1,0,0,0,0|1,0,1]=4 2994 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [1,1,0,0,0,0|1,0,1]=4 2995 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [1,1,0,0,0,0|1,0,1]=4 2996 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [1,1,0,0,0,0|1,0,1]=4 2997 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [1,1,0,0,0,0|1,0,1]=4 2998 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [1,1,0,0,0,0|1,0,1]=4 2999 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [1,1,0,0,0,0|1,0,1]=4 3000 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [1,1,0,0,0,0|1,0,1]=4 3001 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [1,1,0,0,0,0|1,0,1]=4 3002 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [1,1,0,0,0,0|1,0,1]=4 3003 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,1,0,0,0,0|1,0,1]=4 3004 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,1,0,0,0,0|1,0,1]=4 3005 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [1,1,0,0,0,0|1,0,1]=4 3006 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [1,1,0,0,0,0|1,0,1]=4 3007 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [1,1,0,0,0,0|1,0,1]=4 3008 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [1,1,0,0,0,0|1,0,1]=4 3009 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [1,1,0,0,0,0|1,0,1]=4 3010 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [1,1,0,0,0,0|1,0,1]=4 3011 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [1,1,0,0,0,0|1,0,1]=4 3012 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [1,1,0,0,0,0|1,0,1]=4 3013 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,1,0,0,0,0|1,0,1]=4 3014 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,1,0,0,0,0|1,0,1]=4 3015 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [1,1,0,0,0,0|1,0,1]=4 3016 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [1,1,0,0,0,0|1,0,1]=4 3017 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [1,1,0,0,0,0|1,0,1]=4 3018 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [1,1,0,0,0,0|1,0,1]=4 3019 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [1,1,0,0,0,0|1,0,1]=4 3020 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [1,1,0,0,0,0|1,0,1]=4 3021 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [1,1,0,0,0,0|1,0,1]=4 3022 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [1,1,0,0,0,0|1,0,1]=4 3023 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [1,1,0,0,0,0|1,0,1]=4 3024 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [1,1,0,0,0,0|1,0,1]=4 3025 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [1,1,0,0,0,0|1,0,1]=4 3026 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [1,1,0,0,0,0|1,0,1]=4 3027 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [1,1,0,0,0,0|1,0,1]=4 3028 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|1,0,1]=4 3029 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,1]=4 3030 B11R1.192 C=C=Cc1ccc(c(c1)Br)C 271570a_100015277604_100011847877 [1,1,0,0,0,0|0,0,2]=4 3031 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [1,1,0,0,0,0|0,0,2]=4 3032 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [1,1,0,0,0,0|0,0,2]=4 3033 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,1,0,0,0,0|0,0,2]=4 3034 B11R1.192 C=C=Cc1ccc(c(c1)Cl)C 271570a_100015277604_100011216363 [1,1,0,0,0,0|0,0,2]=4 3035 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [1,1,0,0,0,0|0,0,2]=4 3036 B11R1.192 C=C=Cc1ccc(c(c1)F)C 271570a_100015277604_100000720648 [1,1,0,0,0,0|0,0,2]=4 3037 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [1,1,0,0,0,0|0,0,2]=4 3038 B11R1.192 C=C=Cc1ccc(c(c1)N)C 271570a_100015277604_100000761890 [1,1,0,0,0,0|0,0,2]=4 3039 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [1,1,0,0,0,0|0,0,2]=4 3040 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,1,0,0,0,0|0,0,2]=4 3041 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,1,0,0,0,0|0,0,2]=4 3042 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [1,1,0,0,0,0|0,0,2]=4 3043 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,1,0,0,0,0|0,0,2]=4 3044 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,1,0,0,0,0|0,0,2]=4 3045 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|0,0,2]=4 3046 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [1,1,0,0,0,0|0,0,2]=4 3047 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,1,0,0,0,0|0,0,2]=4 3048 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [1,1,0,0,0,0|0,0,2]=4 3049 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,1,0,0,0,0|0,0,2]=4 3050 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [1,1,0,0,0,0|0,0,2]=4 3051 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,1,0,0,0,0|0,0,2]=4 3052 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|0,0,2]=4 3053 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|0,0,2]=4 3054 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,1,0,0,0,0|0,0,2]=4 3055 B11R1.192 CNCc1ccc(c(c1)Br)C 207a_100102657272_100000695567 [1,1,0,0,0,0|1,0,1]=4 3056 B11R1.192 CNCc1ccc(c(c1)Br)C 2230a_106832991635_100012232412 [1,1,0,0,0,0|1,0,1]=4 3057 B11R1.192 CNCc1ccc(c(c1)Br)C 26a_100102657272_100011380479 [1,1,0,0,0,0|1,0,1]=4 3058 B11R1.192 CNCc1ccc(c(c1)Br)C 270004a_106832991635_100000695567 [1,1,0,0,0,0|1,0,1]=4 3059 B11R1.192 CNCc1ccc(c(c1)Br)C 34a_100102657272_100012232412 [1,1,0,0,0,0|1,0,1]=4 3060 B11R1.192 CNCc1ccc(c(c1)Br)C 7a_106832991635_100012232412 [1,1,0,0,0,0|1,0,1]=4 3061 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,1,0,0,0,0|1,0,1]=4 3062 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,1,0,0,0,0|1,0,1]=4 3063 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,1,0,0,0,0|1,0,1]=4 3064 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,1,0,0,0,0|1,0,1]=4 3065 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,1,0,0,0,0|1,0,1]=4 3066 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,1,0,0,0,0|1,0,1]=4 3067 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,1,0,0,0,0|1,0,1]=4 3068 B11R1.192 CNCc1ccc(c(c1)Cl)C 207a_100102657272_100000760539 [1,1,0,0,0,0|1,0,1]=4 3069 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_102495364989_200000210301 [1,1,0,0,0,0|1,0,1]=4 3070 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_106832991635_100011823929 [1,1,0,0,0,0|1,0,1]=4 3071 B11R1.192 CNCc1ccc(c(c1)Cl)C 26a_100102657272_100011265682 [1,1,0,0,0,0|1,0,1]=4 3072 B11R1.192 CNCc1ccc(c(c1)Cl)C 270004a_106832991635_100000760539 [1,1,0,0,0,0|1,0,1]=4 3073 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_100102657272_100011823929 [1,1,0,0,0,0|1,0,1]=4 3074 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_102495364989_200000210301 [1,1,0,0,0,0|1,0,1]=4 3075 B11R1.192 CNCc1ccc(c(c1)Cl)C 7a_106832991635_100011823929 [1,1,0,0,0,0|1,0,1]=4 3076 B11R1.192 CNCc1ccc(c(c1)F)C 207a_100102657272_100000753222 [1,1,0,0,0,0|1,0,1]=4 3077 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_100102708794_200000210301 [1,1,0,0,0,0|1,0,1]=4 3078 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_106832991635_100011217369 [1,1,0,0,0,0|1,0,1]=4 3079 B11R1.192 CNCc1ccc(c(c1)F)C 270004a_106832991635_100000753222 [1,1,0,0,0,0|1,0,1]=4 3080 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102657272_100011217369 [1,1,0,0,0,0|1,0,1]=4 3081 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102708794_200000210301 [1,1,0,0,0,0|1,0,1]=4 3082 B11R1.192 CNCc1ccc(c(c1)F)C 7a_106832991635_100011217369 [1,1,0,0,0,0|1,0,1]=4 3083 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,1,0,0,0,0|1,0,1]=4 3084 B11R1.192 CNCc1ccc(c(c1)I)C 207a_100102657272_100010197721 [1,1,0,0,0,0|1,0,1]=4 3085 B11R1.192 CNCc1ccc(c(c1)I)C 2230a_106832991635_100010206137 [1,1,0,0,0,0|1,0,1]=4 3086 B11R1.192 CNCc1ccc(c(c1)I)C 270004a_106832991635_100010197721 [1,1,0,0,0,0|1,0,1]=4 3087 B11R1.192 CNCc1ccc(c(c1)I)C 34a_100102657272_100010206137 [1,1,0,0,0,0|1,0,1]=4 3088 B11R1.192 CNCc1ccc(c(c1)I)C 7a_106832991635_100010206137 [1,1,0,0,0,0|1,0,1]=4 3089 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,1]=4 3090 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [1,1,0,0,0,0|1,0,1]=4 3091 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [1,1,0,0,0,0|1,0,1]=4 3092 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [1,1,0,0,0,0|1,0,1]=4 3093 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,1,0,0,0,0|1,0,1]=4 3094 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,1,0,0,0,0|1,0,1]=4 3095 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [1,1,0,0,0,0|1,0,1]=4 3097 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [1,1,0,0,0,0|1,0,1]=4 3098 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [1,1,0,0,0,0|1,0,1]=4 3099 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [1,1,0,0,0,0|1,0,1]=4 3100 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [1,1,0,0,0,0|1,0,1]=4 3101 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [1,1,0,0,0,0|1,0,1]=4 3102 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|1,0,1]=4 3103 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [1,1,0,0,0,0|1,0,1]=4 3104 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [1,1,0,0,0,0|1,0,1]=4 3105 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [1,1,0,0,0,0|1,0,1]=4 3106 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [1,1,0,0,0,0|1,0,1]=4 3107 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|1,0,1]=4 3108 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,1,0,0,0,0|1,0,1]=4 3109 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_100012232412_200000210301 [1,1,0,0,0,0|1,0,1]=4 3110 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_200000210301_100012232412 [1,1,0,0,0,0|1,0,1]=4 3111 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,1,0,0,0,0|1,0,1]=4 3112 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,1,0,0,0,0|1,0,1]=4 3113 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_100011823929_200000210301 [1,1,0,0,0,0|1,0,1]=4 3114 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_200000210301_100011823929 [1,1,0,0,0,0|1,0,1]=4 3115 B11R1.192 CSCc1ccc(c(c1)F)C 62a_100011217369_200000210301 [1,1,0,0,0,0|1,0,1]=4 3116 B11R1.192 CSCc1ccc(c(c1)F)C 62a_200000210301_100011217369 [1,1,0,0,0,0|1,0,1]=4 3117 B11R1.192 CSCc1ccc(c(c1)I)C 62a_100010206137_200000210301 [1,1,0,0,0,0|1,0,1]=4 3118 B11R1.192 CSCc1ccc(c(c1)I)C 62a_200000210301_100010206137 [1,1,0,0,0,0|1,0,1]=4 3119 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|1,0,1]=4 3120 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [1,1,0,0,0,0|1,0,1]=4 3121 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [1,1,0,0,0,0|1,0,1]=4 3122 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_100012232412_200025704644 [1,1,0,0,0,0|1,0,1]=4 3123 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_200025704644_100012232412 [1,1,0,0,0,0|1,0,1]=4 3124 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,1,0,0,0,0|1,0,1]=4 3125 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,1,0,0,0,0|1,0,1]=4 3126 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,1,0,0,0,0|1,0,1]=4 3127 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,1,0,0,0,0|1,0,1]=4 3128 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,1,0,0,0,0|1,0,1]=4 3129 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,1,0,0,0,0|1,0,1]=4 3130 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 2230a_102495364989_200025704644 [1,1,0,0,0,0|1,0,1]=4 3131 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 34a_102495364989_200025704644 [1,1,0,0,0,0|1,0,1]=4 3132 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [1,1,0,0,0,0|1,0,1]=4 3133 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [1,1,0,0,0,0|1,0,1]=4 3134 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_100011823929_200025704644 [1,1,0,0,0,0|1,0,1]=4 3135 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100011823929 [1,1,0,0,0,0|1,0,1]=4 3136 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 2230a_100102708794_200025704644 [1,1,0,0,0,0|1,0,1]=4 3137 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 34a_100102708794_200025704644 [1,1,0,0,0,0|1,0,1]=4 3138 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [1,1,0,0,0,0|1,0,1]=4 3139 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [1,1,0,0,0,0|1,0,1]=4 3140 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_100011217369_200025704644 [1,1,0,0,0,0|1,0,1]=4 3141 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_200025704644_100011217369 [1,1,0,0,0,0|1,0,1]=4 3142 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [1,1,0,0,0,0|1,0,1]=4 3143 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [1,1,0,0,0,0|1,0,1]=4 3144 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_100010206137_200025704644 [1,1,0,0,0,0|1,0,1]=4 3145 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_200025704644_100010206137 [1,1,0,0,0,0|1,0,1]=4 3146 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [1,1,0,0,0,0|1,0,1]=4 3147 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,1,0,0,0,0|1,0,1]=4 3148 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|1,0,1]=4 3149 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,1,0,0,0,0|1,0,1]=4 3150 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,1]=4 3151 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,1,0,0,0,0|1,0,0]=3 3154 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,1,0,0,0,0|1,0,0]=3 3158 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,1,0,0,0,0|0,0,0]=2 3160 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,1,0,0,0,0|0,0,0]=2 3161 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,1,0,0,0,0|0,0,0]=2 3162 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,1,0,0,0,0|0,0,0]=2 3163 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,1,0,0,0,0|0,0,0]=2 3164 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,1,0,0,0,0|0,1,0]=3 3165 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,1,0,0,0,0|0,1,0]=3 3166 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,1,0,0,0,0|0,1,0]=3 3167 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,1,0,0,0,0|0,1,0]=3 3168 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,1,0,0,0,0|0,1,0]=3 3169 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [1,1,0,0,0,0|1,0,0]=3 3172 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [1,1,0,0,0,0|1,1,0]=4 3173 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [1,1,0,0,0,0|1,0,0]=3 3176 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [1,1,0,0,0,0|1,1,0]=4 3177 B11R1.3 C=C(C)c1ccc(nn1)OC 271570a_100000694244_100009819040 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [1,1,0,0,0,0|2,0,0]=4 3179 B11R1.3 C=C(C)c1cnc(nc1)OC 271570a_100000694244_100000686852 [1,1,0,0,0,0|2,0,0]=4 3180 B11R1.3 C=C(C)c1ncc(cn1)OC 271570a_100000694244_100000069167 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [1,1,0,0,0,0|2,0,0]=4 3182 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [1,1,0,0,0,0|1,0,0]=3 3183 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,1,0,0,0,0|1,0,0]=3 3184 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,1,0,0,0,0|1,0,0]=3 3185 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,1,0,0,0,0|1,0,0]=3 3187 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [1,1,0,0,0,0|1,0,0]=3 3188 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,1,0,0,0,0|1,0,0]=3 3189 B11R1.3 C=Cc1ccc(cc1)C(F)F 271570a_100011290941_100010189923 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [1,1,0,0,0,0|1,0,0]=3 3191 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [1,1,0,0,0,0|0,1,0]=3 3192 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [1,1,0,0,0,0|1,0,0]=3 3193 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [1,1,0,0,0,0|1,0,0]=3 3194 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.3 C=Cc1ccc(cn1)C(C)C 271570a_100011290941_200009815286 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.3 C=Cc1ccc(cn1)C(C)O 271570a_100011290941_200010274204 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.3 C=Cc1ccc(cn1)N(C)C 271570a_100011290941_100009992925 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.3 C=Cc1ccc(cn1)[C@H](C)N 271570a_100011290941_100015387476 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.3 C=Cc1ccc(nc1)C(C)N 271570a_100011290941_100000723930 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.3 C=Cc1ccc(nc1)C(C)O 271570a_100011290941_100012353650 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.3 C=Cc1ccc(nc1)N(C)C 271570a_100011290941_100011465347 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|0,0,1]=3 3206 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|0,0,1]=3 3207 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,1,0,0,0,0|0,1,1]=4 3208 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,1,0,0,0,0|0,1,1]=4 3209 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,1,0,0,0,0|1,0,1]=4 3210 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3212 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3213 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3214 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|0,0,1]=3 3215 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|0,0,1]=3 3216 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,1,0,0,0,0|0,1,1]=4 3217 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,1,0,0,0,0|0,1,1]=4 3218 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 3219 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 3220 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|0,0,1]=3 3221 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|0,0,1]=3 3222 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,1,0,0,0,0|0,1,1]=4 3223 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,1,0,0,0,0|0,1,1]=4 3224 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,1,0,0,0,0|1,0,1]=4 3225 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,1,0,0,0,0|1,0,1]=4 3226 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,1,0,0,0,0|1,0,1]=4 3227 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3230 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3231 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3232 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 3233 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 3234 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|0,0,1]=3 3237 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|0,0,1]=3 3238 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|0,0,1]=3 3239 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|1,0,0]=3 3240 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|1,0,0]=3 3241 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|0,0,1]=3 3242 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|0,0,1]=3 3243 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|0,0,1]=3 3244 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|0,0,1]=3 3245 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|0,0,1]=3 3246 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,1,0,0,0,0|1,0,1]=4 3247 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,1,0,0,0,0|1,0,1]=4 3248 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,1,0,0,0,0|1,0,1]=4 3249 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,1,0,0,0,0|1,0,1]=4 3250 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,1,0,0,0,0|1,0,1]=4 3251 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,1,0,0,0,0|1,0,1]=4 3252 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,1,0,0,0,0|1,0,1]=4 3253 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|1,0,1]=4 3254 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|1,0,1]=4 3255 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,1,0,0,0,0|0,0,1]=3 3256 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,1,0,0,0,0|1,0,1]=4 3259 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,1,0,0,0,0|1,0,1]=4 3260 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,1,0,0,0,0|1,0,1]=4 3261 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,1,0,0,0,0|1,0,1]=4 3262 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|1,0,1]=4 3263 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|1,0,1]=4 3264 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,1,0,0,0,0|0,1,1]=4 3265 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,1,0,0,0,0|0,1,1]=4 3266 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,1,0,0,0,0|0,1,1]=4 3267 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,1,0,0,0,0|1,1,0]=4 3268 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,1,0,0,0,0|1,1,0]=4 3269 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,1,0,0,0,0|0,1,1]=4 3270 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,1,0,0,0,0|0,1,1]=4 3271 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,1,0,0,0,0|0,1,1]=4 3272 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,1,0,0,0,0|0,1,1]=4 3273 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,1,0,0,0,0|0,1,1]=4 3274 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [1,1,0,0,0,0|1,1,0]=4 3275 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [1,1,0,0,0,0|1,1,0]=4 3276 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [1,1,0,0,0,0|0,1,1]=4 3277 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [1,1,0,0,0,0|0,1,1]=4 3278 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [1,1,0,0,0,0|0,1,1]=4 3279 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [1,1,0,0,0,0|0,1,1]=4 3280 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [1,1,0,0,0,0|0,1,1]=4 3281 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [1,1,0,0,0,0|0,1,1]=4 3282 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,1,0,0,0,0|0,0,1]=3 3283 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [1,1,0,0,0,0|0,1,1]=4 3284 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [1,1,0,0,0,0|0,1,1]=4 3285 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,1,0,0,0,0|1,0,1]=4 3286 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,1,0,0,0,0|1,0,1]=4 3287 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3288 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3289 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [1,1,0,0,0,0|2,0,0]=4 3290 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|1,0,0]=3 3292 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|1,0,0]=3 3293 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,1,0,0,0,0|2,0,0]=4 3295 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,1,0,0,0,0|1,1,0]=4 3296 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,1,0,0,0,0|1,1,0]=4 3297 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [1,1,0,0,0,0|1,1,0]=4 3298 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [1,1,0,0,0,0|1,1,0]=4 3299 B11R1.279 C=Cc1cc(c(cn1)NC)N 271570a_100011290941_200015721873 [1,1,0,0,0,0|2,0,0]=4 3300 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [1,1,0,0,0,0|1,0,0]=3 3301 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,1,0,0,0,0|1,0,0]=3 3302 B11R1.279 C=Cc1cc(c(nn1)OC)C 271570a_100011290941_100010272851 [1,1,0,0,0,0|2,0,0]=4 3303 B11R1.279 C=Cc1ccc(c(c1)Br)C#N 271570a_100011290941_100012349582 [1,1,0,0,0,0|2,0,0]=4 3304 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|2,0,0]=4 3305 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|2,0,0]=4 3306 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|0,0,0]=2 3307 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [1,1,0,0,0,0|2,0,0]=4 3308 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|2,0,0]=4 3309 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,1,0,0,0,0|2,0,0]=4 3310 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,1,0,0,0,0|2,0,0]=4 3311 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|2,0,0]=4 3312 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,1,0,0,0,0|1,0,0]=3 3313 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|0,0,0]=2 3315 B11R1.279 C=Cc1ccc(c(c1)Cl)C#N 271570a_100011290941_100012349662 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|2,0,0]=4 3317 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|0,0,0]=2 3318 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [1,1,0,0,0,0|0,1,0]=3 3319 B11R1.279 C=Cc1ccc(c(c1)F)C#N 271570a_100011290941_100000037869 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|1,0,0]=3 3322 B11R1.279 C=Cc1ccc(c(c1)F)CN 271570a_100011290941_100000754580 [1,1,0,0,0,0|2,0,0]=4 3323 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|2,0,0]=4 3324 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [1,1,0,0,0,0|1,0,0]=3 3325 B11R1.279 C=Cc1ccc(c(c1)F)NN 271570a_100011290941_100000751572 [1,1,0,0,0,0|2,0,0]=4 3326 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|0,0,0]=2 3327 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [1,1,0,0,0,0|0,1,0]=3 3328 B11R1.279 C=Cc1ccc(c(c1)N)C#N 271570a_100011290941_100000699244 [1,1,0,0,0,0|2,0,0]=4 3329 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|2,0,0]=4 3330 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|1,0,0]=3 3331 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|2,0,0]=4 3332 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [1,1,0,0,0,0|1,0,0]=3 3333 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|0,0,0]=2 3334 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [1,1,0,0,0,0|2,0,0]=4 3335 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|2,0,0]=4 3336 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|2,0,0]=4 3337 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|0,0,0]=2 3338 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [1,1,0,0,0,0|1,0,0]=3 3339 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,1,0,0,0,0|1,0,0]=3 3340 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [1,1,0,0,0,0|1,0,0]=3 3341 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [1,1,0,0,0,0|1,0,0]=3 3342 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [1,1,0,0,0,0|1,0,0]=3 3343 B11R1.279 C=Cc1ccc(cc1Br)C#N 271570a_100011290941_100012356348 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,1,0,0,0,0|1,0,0]=3 3345 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [1,1,0,0,0,0|0,0,0]=2 3346 B11R1.279 C=Cc1ccc(cc1C)C#N 271570a_100011290941_100000212329 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.279 C=Cc1ccc(cc1C)CN 271570a_100011290941_100015205234 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [1,1,0,0,0,0|2,0,0]=4 3350 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [1,1,0,0,0,0|1,0,0]=3 3351 B11R1.279 C=Cc1ccc(cc1C)NN 271570a_100011290941_100000745493 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,1,0,0,0,0|0,0,0]=2 3353 B11R1.279 C=Cc1ccc(cc1Cl)C#N 271570a_100011290941_100012349663 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.279 C=Cc1ccc(cc1F)C#N 271570a_100011290941_100011794375 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,1,0,0,0,0|1,0,0]=3 3358 B11R1.279 C=Cc1ccc(cc1F)CN 271570a_100011290941_100000755036 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [1,1,0,0,0,0|2,0,0]=4 3360 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [1,1,0,0,0,0|1,0,0]=3 3361 B11R1.279 C=Cc1ccc(cc1F)NN 271570a_100011290941_100016992936 [1,1,0,0,0,0|2,0,0]=4 3362 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [1,1,0,0,0,0|0,0,0]=2 3363 B11R1.279 C=Cc1ccc(cc1F)SC 271570a_100011290941_100009816902 [1,1,0,0,0,0|0,1,0]=3 3364 B11R1.279 C=Cc1ccc(cc1F)SC 62a_100011935271_200000210301 [1,1,0,0,0,0|0,1,0]=3 3365 B11R1.279 C=Cc1ccc(cc1F)SC 62a_200000210301_100011935271 [1,1,0,0,0,0|0,1,0]=3 3366 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_100011935271_200025704644 [1,1,0,0,0,0|0,1,0]=3 3367 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100011935271 [1,1,0,0,0,0|0,1,0]=3 3368 B11R1.279 C=Cc1ccc(cc1N)C#N 271570a_100011290941_100012001879 [1,1,0,0,0,0|2,0,0]=4 3369 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [1,1,0,0,0,0|2,0,0]=4 3370 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [1,1,0,0,0,0|0,0,0]=2 3371 B11R1.279 C=Cc1ccc(cc1O)C#N 271570a_100011290941_100000724445 [1,1,0,0,0,0|2,0,0]=4 3372 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|2,0,0]=4 3373 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|2,0,0]=4 3374 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [1,1,0,0,0,0|0,0,0]=2 3375 B11R1.279 C=Cc1ccc(nc1C)OC 271570a_100011290941_100000766551 [1,1,0,0,0,0|1,0,0]=3 3376 B11R1.279 C=Cc1ccc(nc1F)OC 271570a_100011290941_100010067559 [1,1,0,0,0,0|1,0,0]=3 3377 B11R1.279 C=Cc1ccc(nc1N)OC 271570a_100011290941_100010187629 [1,1,0,0,0,0|1,0,0]=3 3378 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [1,1,0,0,0,0|1,0,0]=3 3379 B11R1.279 C=Cc1cnc(c(c1)C)NC 271570a_100011290941_100012357622 [1,1,0,0,0,0|2,0,0]=4 3380 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,1,0,0,0,0|1,0,0]=3 3381 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [1,1,0,0,0,0|1,0,0]=3 3382 B11R1.279 C=Cc1cnc(c(c1)N)NC 271570a_100011290941_100011432983 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [1,1,0,0,0,0|1,0,0]=3 3384 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,1,0,0,0,0|1,0,0]=3 3385 B11R1.279 C=Cc1cnc(cc1C)NC 271570a_100011290941_100012352278 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.279 C=Cc1cnc(cc1C)OC 271570a_100011290941_100011934368 [1,1,0,0,0,0|1,0,0]=3 3387 B11R1.279 C=Cc1cnc(cc1F)OC 271570a_100011290941_100010136277 [1,1,0,0,0,0|1,0,0]=3 3388 B11R1.279 C=Cc1cnc(cc1N)OC 271570a_100011290941_100010254562 [1,1,0,0,0,0|1,0,0]=3 3389 B11R1.279 C=Cc1cnc(cc1O)OC 271570a_100011290941_100010738159 [1,1,0,0,0,0|1,0,0]=3 3390 B11R1.279 C=Cc1cnc(nc1C)OC 271570a_100011290941_100010152497 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.279 C=Cc1cnc(nc1N)OC 271570a_100011290941_100010218985 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.279 C=Cc1ncc(c(n1)C)OC 271570a_100011290941_100010382893 [1,1,0,0,0,0|2,0,0]=4 3393 B11R1.279 C=Cc1ncc(c(n1)N)OC 271570a_100011290941_100009886850 [1,1,0,0,0,0|2,0,0]=4 3394 B11R1.279 C=Cc1ncc(cc1C)OC 271570a_100011290941_200009851512 [1,1,0,0,0,0|1,0,0]=3 3395 B11R1.279 C=Cc1ncc(cc1C)SC 271570a_100011290941_203440288091 [1,1,0,0,0,0|1,1,0]=4 3396 B11R1.279 C=Cc1ncc(cc1F)SC 271570a_100011290941_100010884644 [1,1,0,0,0,0|1,1,0]=4 3397 B11R1.279 C=Cc1ncc(cc1N)OC 271570a_100011290941_100010074831 [1,1,0,0,0,0|1,0,0]=3 3398 B11R1.279 C=Cc1ncc(nc1C)OC 271570a_100011290941_200010730098 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.279 C=Cc1ncc(nc1N)OC 271570a_100011290941_100009955223 [1,1,0,0,0,0|2,0,0]=4 3400 B11R1.279 CCc1ccc(c(c1)Br)NC 2230a_100012339725_200000210301 [1,1,0,0,0,0|1,0,1]=4 3401 B11R1.279 CCc1ccc(c(c1)Br)NC 34a_100012339725_200000210301 [1,1,0,0,0,0|1,0,1]=4 3402 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 2230a_100012339725_200025704644 [1,1,0,0,0,0|1,0,1]=4 3403 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 34a_100012339725_200025704644 [1,1,0,0,0,0|1,0,1]=4 3404 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,1,0,0,0,0|0,0,1]=3 3405 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,1,0,0,0,0|0,0,1]=3 3406 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,1,0,0,0,0|0,0,1]=3 3407 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,1,0,0,0,0|0,0,1]=3 3408 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200000210301_200009997437 [1,1,0,0,0,0|0,1,1]=4 3409 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200009997437_200000210301 [1,1,0,0,0,0|0,1,1]=4 3410 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200009997437_200025704644 [1,1,0,0,0,0|0,1,1]=4 3411 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200009997437 [1,1,0,0,0,0|0,1,1]=4 3412 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,1,0,0,0,0|1,0,1]=4 3413 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,1,0,0,0,0|1,0,1]=4 3414 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,1,0,0,0,0|1,0,1]=4 3415 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,1,0,0,0,0|1,0,1]=4 3416 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,1,0,0,0,0|1,0,1]=4 3417 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,1,0,0,0,0|1,0,1]=4 3418 B11R1.279 CCc1ccc(c(c1)F)NC 2230a_100016177294_200000210301 [1,1,0,0,0,0|1,0,1]=4 3419 B11R1.279 CCc1ccc(c(c1)F)NC 34a_100016177294_200000210301 [1,1,0,0,0,0|1,0,1]=4 3420 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 2230a_100016177294_200025704644 [1,1,0,0,0,0|1,0,1]=4 3421 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 34a_100016177294_200025704644 [1,1,0,0,0,0|1,0,1]=4 3422 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200000210301_200010339503 [1,1,0,0,0,0|0,1,1]=4 3423 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200010339503_200000210301 [1,1,0,0,0,0|0,1,1]=4 3424 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200010339503_200025704644 [1,1,0,0,0,0|0,1,1]=4 3425 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010339503 [1,1,0,0,0,0|0,1,1]=4 3426 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,1,0,0,0,0|0,0,1]=3 3427 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,1,0,0,0,0|0,0,1]=3 3428 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,1,0,0,0,0|0,0,1]=3 3429 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,1,0,0,0,0|0,0,1]=3 3430 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,1,0,0,0,0|1,0,1]=4 3431 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,1,0,0,0,0|1,0,1]=4 3432 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|0,0,1]=3 3433 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [1,1,0,0,0,0|1,0,1]=4 3434 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [1,1,0,0,0,0|1,0,1]=4 3435 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [1,1,0,0,0,0|1,0,1]=4 3436 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [1,1,0,0,0,0|1,0,1]=4 3437 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [1,1,0,0,0,0|1,0,1]=4 3438 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [1,1,0,0,0,0|1,0,1]=4 3439 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [1,1,0,0,0,0|0,0,1]=3 3440 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [1,1,0,0,0,0|0,0,1]=3 3441 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [1,1,0,0,0,0|0,0,1]=3 3442 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [1,1,0,0,0,0|0,0,1]=3 3443 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [1,1,0,0,0,0|0,1,1]=4 3444 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [1,1,0,0,0,0|0,1,1]=4 3445 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [1,1,0,0,0,0|0,1,1]=4 3446 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [1,1,0,0,0,0|0,1,1]=4 3447 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [1,1,0,0,0,0|0,1,1]=4 3448 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [1,1,0,0,0,0|0,1,1]=4 3449 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [1,1,0,0,0,0|0,1,1]=4 3450 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [1,1,0,0,0,0|0,1,1]=4 3451 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [1,1,0,0,0,0|1,0,1]=4 3452 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 3453 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|1,0,1]=4 3454 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|1,0,1]=4 3455 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|1,0,1]=4 3456 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [1,1,0,0,0,0|1,0,1]=4 3458 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [1,1,0,0,0,0|1,0,1]=4 3459 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [1,1,0,0,0,0|1,0,1]=4 3460 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [1,1,0,0,0,0|1,0,1]=4 3461 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [1,1,0,0,0,0|1,0,1]=4 3462 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|1,0,1]=4 3463 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,1]=4 3464 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [1,1,0,0,0,0|1,0,1]=4 3465 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,1,0,0,0,0|1,0,1]=4 3468 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3469 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3470 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3471 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3472 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [1,1,0,0,0,0|1,0,1]=4 3473 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3474 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [1,1,0,0,0,0|1,0,1]=4 3476 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [1,1,0,0,0,0|1,0,1]=4 3477 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [1,1,0,0,0,0|1,0,1]=4 3479 B11R1.279 COc1ccc(c(c1)Br)C#N 34a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3480 B11R1.279 COc1ccc(c(c1)Br)C#N 7a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3481 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 3482 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 3483 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [1,1,0,0,0,0|1,0,1]=4 3484 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [1,1,0,0,0,0|1,0,1]=4 3485 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [1,1,0,0,0,0|1,0,1]=4 3486 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [1,1,0,0,0,0|1,0,1]=4 3487 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [1,1,0,0,0,0|1,0,1]=4 3488 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [1,1,0,0,0,0|1,0,1]=4 3489 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [1,1,0,0,0,0|1,0,1]=4 3490 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [1,1,0,0,0,0|1,0,1]=4 3491 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [1,1,0,0,0,0|1,0,1]=4 3492 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [1,1,0,0,0,0|1,0,1]=4 3493 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [1,1,0,0,0,0|1,0,1]=4 3494 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 3495 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 3496 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,1,0,0,0,0|1,0,1]=4 3497 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|1,0,1]=4 3498 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|1,0,1]=4 3499 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|1,0,1]=4 3500 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|1,0,1]=4 3501 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|1,0,1]=4 3502 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|1,0,1]=4 3503 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,1,0,0,0,0|1,0,1]=4 3504 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,1,0,0,0,0|1,0,1]=4 3505 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,1,0,0,0,0|1,0,1]=4 3506 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,1,0,0,0,0|1,0,1]=4 3507 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,1,0,0,0,0|1,0,1]=4 3508 B11R1.279 COc1ccc(c(c1)Cl)C#N 34a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 3509 B11R1.279 COc1ccc(c(c1)Cl)C#N 7a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 3510 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,0]=3 3511 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [1,1,0,0,0,0|1,0,0]=3 3512 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [1,1,0,0,0,0|1,0,0]=3 3513 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [1,1,0,0,0,0|1,0,1]=4 3514 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [1,1,0,0,0,0|1,0,1]=4 3515 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [1,1,0,0,0,0|1,0,1]=4 3516 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [1,1,0,0,0,0|1,0,1]=4 3517 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [1,1,0,0,0,0|1,0,1]=4 3518 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [1,1,0,0,0,0|1,0,1]=4 3519 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [1,1,0,0,0,0|1,0,1]=4 3520 B11R1.279 COc1ccc(c(c1)F)C#N 34a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 3521 B11R1.279 COc1ccc(c(c1)F)C#N 7a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 3522 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [1,1,0,0,0,0|1,0,0]=3 3523 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [1,1,0,0,0,0|1,0,0]=3 3524 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [1,1,0,0,0,0|1,0,1]=4 3525 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [1,1,0,0,0,0|1,0,1]=4 3526 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [1,1,0,0,0,0|1,0,1]=4 3527 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [1,1,0,0,0,0|1,0,1]=4 3528 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [1,1,0,0,0,0|1,0,1]=4 3529 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [1,1,0,0,0,0|1,0,1]=4 3530 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [1,1,0,0,0,0|1,0,1]=4 3531 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [1,1,0,0,0,0|1,0,1]=4 3532 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [1,1,0,0,0,0|1,0,1]=4 3533 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [1,1,0,0,0,0|1,0,1]=4 3534 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [1,1,0,0,0,0|1,0,1]=4 3535 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [1,1,0,0,0,0|1,0,1]=4 3536 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [1,1,0,0,0,0|1,0,1]=4 3537 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [1,1,0,0,0,0|1,0,1]=4 3538 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|1,0,1]=4 3539 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [1,1,0,0,0,0|1,0,1]=4 3540 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [1,1,0,0,0,0|1,0,1]=4 3541 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [1,1,0,0,0,0|1,0,1]=4 3542 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [1,1,0,0,0,0|1,0,1]=4 3543 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [1,1,0,0,0,0|1,0,1]=4 3544 B11R1.279 COc1ccc(c(c1)O)C#N 271570a_203496583355_100012355471 [1,1,0,0,0,0|1,0,1]=4 3545 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|1,0,0]=3 3546 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|1,0,0]=3 3547 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [1,1,0,0,0,0|1,0,1]=4 3548 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|1,0,1]=4 3549 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [1,1,0,0,0,0|1,0,1]=4 3550 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [1,1,0,0,0,0|1,0,1]=4 3551 B11R1.279 COc1ccc(c(n1)O)C=O 271570a_203496583355_100012351648 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.279 COc1ccc(c(n1)O)CO 271570a_203496583355_100009885603 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 3554 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 3555 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 3556 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 3557 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [1,1,0,0,0,0|1,0,1]=4 3558 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [1,1,0,0,0,0|1,0,1]=4 3559 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [1,1,0,0,0,0|1,0,1]=4 3560 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [1,1,0,0,0,0|1,0,1]=4 3561 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [1,1,0,0,0,0|1,0,1]=4 3562 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [1,1,0,0,0,0|1,0,1]=4 3563 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [1,1,0,0,0,0|1,0,1]=4 3564 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 3565 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 3566 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 3567 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 3568 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3569 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3570 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3571 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|1,0,1]=4 3572 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|1,0,1]=4 3573 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|1,0,1]=4 3574 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|1,0,1]=4 3575 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|1,0,1]=4 3576 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|1,0,1]=4 3577 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 3578 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 3579 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [1,1,0,0,0,0|1,0,1]=4 3580 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [1,1,0,0,0,0|1,0,1]=4 3581 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3582 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3583 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [1,1,0,0,0,0|1,0,1]=4 3584 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [1,1,0,0,0,0|1,0,1]=4 3585 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [1,1,0,0,0,0|1,0,1]=4 3586 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [1,1,0,0,0,0|1,0,1]=4 3587 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 3588 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 3589 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3590 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [1,1,0,0,0,0|1,0,1]=4 3591 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [1,1,0,0,0,0|1,0,1]=4 3592 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [1,1,0,0,0,0|1,0,1]=4 3593 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [1,1,0,0,0,0|1,0,1]=4 3594 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [1,1,0,0,0,0|1,0,1]=4 3595 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [1,1,0,0,0,0|1,0,1]=4 3596 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [1,1,0,0,0,0|1,0,1]=4 3597 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [1,1,0,0,0,0|1,0,1]=4 3598 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 3599 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 3600 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [1,1,0,0,0,0|1,0,1]=4 3601 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [1,1,0,0,0,0|1,0,1]=4 3602 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [1,1,0,0,0,0|1,0,1]=4 3603 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 3604 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 3605 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,0]=3 3606 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [1,1,0,0,0,0|1,0,1]=4 3607 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [1,1,0,0,0,0|1,0,1]=4 3608 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [1,1,0,0,0,0|1,0,1]=4 3609 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [1,1,0,0,0,0|1,0,1]=4 3610 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 3611 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|1,0,0]=3 3612 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,0]=3 3613 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|1,0,0]=3 3614 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,1]=4 3615 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|1,0,1]=4 3616 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|1,0,1]=4 3617 B11R1.279 COc1ccc(nc1Br)CO 34a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.279 COc1ccc(nc1Br)CO 7a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.279 COc1ccc(nc1Cl)CO 34a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.279 COc1ccc(nc1Cl)CO 7a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,1,0,0,0,0|2,0,0]=4 3623 B11R1.279 COc1cnc(c(c1)O)C=O 271570a_203496583355_200010135874 [1,1,0,0,0,0|2,0,0]=4 3624 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|2,0,0]=4 3625 B11R1.279 COc1coc(cc1=O)CCl 34a_100000010605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3626 B11R1.279 COc1coc(cc1=O)CO 34a_100000211585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3627 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [1,1,0,0,0,0|1,1,0]=4 3629 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [1,1,0,0,0,0|1,1,0]=4 3630 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_100010240206_200000210301 [1,1,0,0,0,0|1,1,0]=4 3631 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_200000210301_100010240206 [1,1,0,0,0,0|1,1,0]=4 3632 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,1,0,0,0,0|1,1,0]=4 3633 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,1,0,0,0,0|1,1,0]=4 3634 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [1,1,0,0,0,0|1,1,0]=4 3635 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [1,1,0,0,0,0|1,1,0]=4 3636 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [1,1,0,0,0,0|1,1,0]=4 3637 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [1,1,0,0,0,0|1,1,0]=4 3638 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|1,1,0]=4 3639 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|1,1,0]=4 3640 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [1,1,0,0,0,0|1,1,0]=4 3641 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [1,1,0,0,0,0|1,1,0]=4 3642 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [1,1,0,0,0,0|1,1,0]=4 3643 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [1,1,0,0,0,0|1,1,0]=4 3644 B11R1.279 CSc1ccc(c(c1)F)CN 62a_100000754580_200000210301 [1,1,0,0,0,0|1,1,0]=4 3645 B11R1.279 CSc1ccc(c(c1)F)CN 62a_200000210301_100000754580 [1,1,0,0,0,0|1,1,0]=4 3646 B11R1.279 CSc1ccc(c(c1)F)CO 62a_100011191541_200000210301 [1,1,0,0,0,0|1,1,0]=4 3647 B11R1.279 CSc1ccc(c(c1)F)CO 62a_200000210301_100011191541 [1,1,0,0,0,0|1,1,0]=4 3648 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [1,1,0,0,0,0|1,1,0]=4 3649 B11R1.279 CSc1ccc(c(c1)N)CO 62a_100000718831_200000210301 [1,1,0,0,0,0|1,1,0]=4 3650 B11R1.279 CSc1ccc(c(c1)N)CO 62a_200000210301_100000718831 [1,1,0,0,0,0|1,1,0]=4 3651 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [1,1,0,0,0,0|1,1,0]=4 3652 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [1,1,0,0,0,0|1,1,0]=4 3653 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|1,1,0]=4 3654 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|1,1,0]=4 3655 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|1,1,0]=4 3656 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|1,1,0]=4 3657 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,1,0,0,0,0|1,1,0]=4 3658 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,1,0,0,0,0|1,1,0]=4 3659 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,1,0,0,0,0|1,1,0]=4 3660 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,1,0,0,0,0|1,1,0]=4 3661 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,1,0,0,0,0|1,0,1]=4 3662 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [1,1,0,0,0,0|1,1,0]=4 3663 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [1,1,0,0,0,0|1,1,0]=4 3664 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|1,1,0]=4 3665 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|1,1,0]=4 3666 B11R1.279 CSc1ccc(cc1F)CN 62a_100000755036_200000210301 [1,1,0,0,0,0|1,1,0]=4 3667 B11R1.279 CSc1ccc(cc1F)CN 62a_200000210301_100000755036 [1,1,0,0,0,0|1,1,0]=4 3668 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [1,1,0,0,0,0|1,1,0]=4 3669 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [1,1,0,0,0,0|1,1,0]=4 3670 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [1,1,0,0,0,0|1,1,0]=4 3671 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [1,1,0,0,0,0|1,1,0]=4 3672 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|1,1,0]=4 3673 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|1,1,0]=4 3674 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|1,1,0]=4 3675 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|1,1,0]=4 3676 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 3677 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 3678 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,1,0,0,0,0|1,1,0]=4 3679 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,1,0,0,0,0|1,1,0]=4 3680 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [1,1,0,0,0,0|1,1,0]=4 3681 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [1,1,0,0,0,0|1,1,0]=4 3682 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [1,1,0,0,0,0|1,1,0]=4 3683 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [1,1,0,0,0,0|1,1,0]=4 3684 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|1,1,0]=4 3686 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|1,1,0]=4 3687 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,1,0,0,0,0|2,0,0]=4 3688 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,1,0,0,0,0|2,0,0]=4 3689 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 3690 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 3691 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 3692 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 3693 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|1,1,0]=4 3694 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|1,1,0]=4 3695 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,1,0,0,0,0|1,1,0]=4 3696 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,1,0,0,0,0|1,1,0]=4 3697 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,1,0,0,0,0|1,1,0]=4 3698 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,1,0,0,0,0|1,1,0]=4 3699 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3701 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3702 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 34a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3703 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 7a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3704 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 3705 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 3706 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 34a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 3707 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 7a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 3708 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,0]=3 3709 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [1,1,0,0,0,0|1,0,0]=3 3710 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [1,1,0,0,0,0|1,0,0]=3 3711 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 34a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 3712 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 7a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 3713 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [1,1,0,0,0,0|1,0,0]=3 3714 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [1,1,0,0,0,0|1,0,0]=3 3715 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 3716 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 3717 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 3718 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 3719 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 3720 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 3721 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 3722 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 3723 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3724 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 3725 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 3726 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3727 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3728 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,0]=3 3729 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 34a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 3730 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 7a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 3731 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 34a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3732 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 7a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3733 B11R1.279 [13CH3]Oc1coc(cc1=O)CCl 34a_100000010605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3734 B11R1.279 [13CH3]Oc1coc(cc1=O)CO 34a_100000211585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3735 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [1,1,0,0,0,0|1,1,0]=4 3736 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [1,1,0,0,0,0|1,1,0]=4 3737 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_100010240206_200025704644 [1,1,0,0,0,0|1,1,0]=4 3738 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_200025704644_100010240206 [1,1,0,0,0,0|1,1,0]=4 3739 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [1,1,0,0,0,0|1,1,0]=4 3740 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [1,1,0,0,0,0|1,1,0]=4 3741 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [1,1,0,0,0,0|1,1,0]=4 3742 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [1,1,0,0,0,0|1,1,0]=4 3743 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_100000754580_200025704644 [1,1,0,0,0,0|1,1,0]=4 3744 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_200025704644_100000754580 [1,1,0,0,0,0|1,1,0]=4 3745 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_100011191541_200025704644 [1,1,0,0,0,0|1,1,0]=4 3746 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_200025704644_100011191541 [1,1,0,0,0,0|1,1,0]=4 3747 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [1,1,0,0,0,0|1,1,0]=4 3748 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_100000718831_200025704644 [1,1,0,0,0,0|1,1,0]=4 3749 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_200025704644_100000718831 [1,1,0,0,0,0|1,1,0]=4 3750 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [1,1,0,0,0,0|1,1,0]=4 3751 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [1,1,0,0,0,0|1,1,0]=4 3752 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|1,1,0]=4 3753 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|1,1,0]=4 3754 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [1,1,0,0,0,0|1,1,0]=4 3755 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [1,1,0,0,0,0|1,1,0]=4 3756 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|1,1,0]=4 3757 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|1,1,0]=4 3758 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_100000755036_200025704644 [1,1,0,0,0,0|1,1,0]=4 3759 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_200025704644_100000755036 [1,1,0,0,0,0|1,1,0]=4 3760 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [1,1,0,0,0,0|1,1,0]=4 3761 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [1,1,0,0,0,0|1,1,0]=4 3762 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [1,1,0,0,0,0|1,1,0]=4 3763 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [1,1,0,0,0,0|1,1,0]=4 3764 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|1,1,0]=4 3765 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|1,1,0]=4 3766 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|1,1,0]=4 3767 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|1,1,0]=4 3768 B11R1.214 C=CCSc1ccc(s1)CC 62a_100000210623_100009844052 [0,1,0,0,1,0|2,0,0]=4 3769 B11R1.214 C=CCSc1ccc(s1)CC 62a_100009844052_100000210623 [0,1,0,0,1,0|2,0,0]=4 3770 B11R1.214 C=CCSc1cnc(s1)OC 62a_100000210623_100000729428 [0,1,0,0,1,0|2,0,0]=4 3771 B11R1.214 C=CCSc1cnc(s1)OC 62a_100000729428_100000210623 [0,1,0,0,1,0|2,0,0]=4 3772 B11R1.214 C=CCSc1csc(c1)CC 62a_100000210623_100009846239 [0,1,0,0,1,0|2,0,0]=4 3773 B11R1.214 C=CCSc1csc(c1)CC 62a_100009846239_100000210623 [0,1,0,0,1,0|2,0,0]=4 3774 B11R1.214 C=CCSc1csc(c1)SC 62a_100000210623_200010256830 [0,1,0,0,1,0|1,1,0]=4 3775 B11R1.214 C=CCSc1csc(c1)SC 62a_200010256830_100000210623 [0,1,0,0,1,0|1,1,0]=4 3776 B11R1.214 C=CCSc1csc(n1)OC 62a_100000210623_100000727839 [0,1,0,0,1,0|2,0,0]=4 3777 B11R1.214 C=CCSc1csc(n1)OC 62a_100000727839_100000210623 [0,1,0,0,1,0|2,0,0]=4 3778 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,2,0,0,0,0|1,0,1]=4 3779 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,2,0,0,0,0|0,1,1]=4 3780 B13R1.5 C#CC(=O)Cc1ccc(cn1)OC 1458a_100000211873_200000757186 [0,2,0,0,0,0|1,0,1]=4 3781 B13R1.5 C#CC(=O)Cc1ccc(nc1)OC 1458a_100000211873_100020631284 [0,2,0,0,0,0|1,0,1]=4 3782 B13R1.5 C#CC(C)Nc1ccc(cc1)OC 34a_100000184247_200000035995 [0,2,0,0,0,0|0,0,2]=4 3783 B13R1.5 C#CC(C)Oc1ccc(cc1)OC 34a_100000210503_200000035995 [0,2,0,0,0,0|0,0,2]=4 3784 B13R1.5 C#CC(C)Sc1ccc(cc1)OC 62a_200000035995_100000171711 [0,2,0,0,0,0|0,0,2]=4 3785 B13R1.5 C#Cc1ccc(cc1)CC(=O)C=C 1458a_100000185746_100000140223 [0,2,0,0,0,0|1,0,1]=4 3786 B13R1.5 C=CC(=O)Cc1ccc(cc1)C#N 1458a_100000185746_100000184898 [0,2,0,0,0,0|2,0,0]=4 3787 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=C 1458a_100000185746_100000034074 [0,2,0,0,0,0|1,0,1]=4 3788 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=O 1458a_100000185746_100000075337 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,2,0,0,0,0|1,0,0]=3 3790 B13R1.5 C=CC(=O)Cc1ccc(cc1)CO 1458a_100000185746_100000067286 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,2,0,0,0,0|0,1,0]=3 3792 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,2,0,0,0,0|1,0,0]=3 3793 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,2,0,0,0,0|1,0,0]=3 3794 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,2,0,0,0,0|1,0,1]=4 3795 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,2,0,0,0,0|1,0,1]=4 3796 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,2,0,0,0,0|0,0,1]=3 3797 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,2,0,0,0,0|0,0,1]=3 3798 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,2,0,0,0,0|0,0,1]=3 3799 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,2,0,0,0,0|0,0,1]=3 3800 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,2,0,0,0,0|0,1,1]=4 3801 B13R1.5 C=CC(C)Sc1ccc(cc1)C#N 62a_100011215867_100000184291 [0,2,0,0,0,0|2,0,0]=4 3802 B13R1.5 C=CC(C)Sc1ccc(cc1)C=O 62a_100011215867_100000188517 [0,2,0,0,0,0|2,0,0]=4 3803 B13R1.5 C=CC(C)Sc1ccc(cc1)CC 62a_100011215867_100011215824 [0,2,0,0,0,0|1,0,0]=3 3804 B13R1.5 C=CC(C)Sc1ccc(cc1)CF 62a_100011215867_100010268989 [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.5 C=CC(C)Sc1ccc(cc1)CN 62a_100011215867_100016989417 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.5 C=CC(C)Sc1ccc(cc1)CO 62a_100011215867_100000690907 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.5 C=CC(C)Sc1ccc(cc1)NC 62a_100011215867_100000743151 [0,2,0,0,0,0|1,0,0]=3 3808 B13R1.5 C=CC(C)Sc1ccc(cc1)NN 62a_100011215867_100016988836 [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,2,0,0,0,0|0,0,0]=2 3810 B13R1.5 C=CC(C)Sc1ccc(cc1)SC 62a_100011215867_100011263217 [0,2,0,0,0,0|0,1,0]=3 3811 B13R1.5 C=CC(C)Sc1ccc(cn1)CC 62a_100011215867_100009843584 [0,2,0,0,0,0|2,0,0]=4 3812 B13R1.5 C=CC(C)Sc1ccc(cn1)NC 62a_100011215867_100000764248 [0,2,0,0,0,0|2,0,0]=4 3813 B13R1.5 C=CC(C)Sc1ccc(cn1)OC 62a_100011215867_100000744180 [0,2,0,0,0,0|1,0,0]=3 3814 B13R1.5 C=CC(C)Sc1ccc(cn1)SC 62a_100011215867_100009820866 [0,2,0,0,0,0|1,1,0]=4 3815 B13R1.5 C=CC(C)Sc1ccc(nc1)CC 62a_100011215867_100009820025 [0,2,0,0,0,0|2,0,0]=4 3816 B13R1.5 C=CC(C)Sc1ccc(nc1)NC 62a_100011215867_100000741341 [0,2,0,0,0,0|2,0,0]=4 3817 B13R1.5 C=CC(C)Sc1ccc(nc1)OC 62a_100011215867_100000047065 [0,2,0,0,0,0|1,0,0]=3 3818 B13R1.5 C=CC(C)Sc1ccc(nc1)SC 62a_100011215867_100011408404 [0,2,0,0,0,0|1,1,0]=4 3819 B13R1.5 C=CC(C)Sc1ccc(nn1)OC 62a_100011215867_100009819040 [0,2,0,0,0,0|2,0,0]=4 3820 B13R1.5 C=CC(C)Sc1cnc(cn1)OC 62a_100011215867_100011998698 [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.5 C=CC(C)Sc1cnc(nc1)OC 62a_100011215867_100000686852 [0,2,0,0,0,0|2,0,0]=4 3822 B13R1.5 C=CC(C)Sc1ncc(cn1)OC 62a_100011215867_100000069167 [0,2,0,0,0,0|2,0,0]=4 3823 B13R1.5 C=Cc1ccc(cc1)SC(C)C=C 62a_100011215867_100000748128 [0,2,0,0,0,0|1,0,1]=4 3824 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,2,0,0,0,0|1,0,1]=4 3825 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,2,0,0,0,0|1,0,1]=4 3826 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,2,0,0,0,0|0,0,1]=3 3827 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,2,0,0,0,0|0,1,1]=4 3828 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,2,0,0,0,0|0,1,1]=4 3829 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,2,0,0,0,0|1,0,1]=4 3830 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,2,0,0,0,0|1,0,1]=4 3831 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,2,0,0,0,0|1,0,1]=4 3832 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,2,0,0,0,0|1,0,1]=4 3833 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,2,0,0,0,0|1,0,1]=4 3834 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,2,0,0,0,0|1,0,1]=4 3835 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,2,0,0,0,0|1,0,1]=4 3836 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,2,0,0,0,0|1,0,1]=4 3837 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,2,0,0,0,0|1,0,1]=4 3838 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,2,0,0,0,0|1,0,1]=4 3839 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,2,0,0,0,0|1,0,1]=4 3840 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,2,0,0,0,0|1,0,1]=4 3841 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,2,0,0,0,0|0,0,2]=4 3842 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,2,0,0,0,0|0,0,2]=4 3843 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,2,0,0,0,0|0,0,2]=4 3844 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000210202 [0,2,0,0,0,0|0,0,2]=4 3845 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000225621_100000742318 [0,2,0,0,0,0|0,0,2]=4 3846 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000741509_200000210301 [0,2,0,0,0,0|0,0,2]=4 3847 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000204670 [0,2,0,0,0,0|0,0,2]=4 3848 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000225621_100000742318 [0,2,0,0,0,0|0,0,2]=4 3849 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000741509_200000210301 [0,2,0,0,0,0|0,0,2]=4 3850 B13R1.5 CCN(C)Cc1ccc(cc1)OC 26a_100000225621_100000210503 [0,2,0,0,0,0|0,0,2]=4 3851 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 2230a_100000741509_200025704644 [0,2,0,0,0,0|0,0,2]=4 3852 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 269982a_100000741509_200025704644 [0,2,0,0,0,0|0,0,2]=4 3853 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,2,0,0,0,0|1,0,1]=4 3854 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,2,0,0,0,0|1,0,1]=4 3855 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,2,0,0,0,0|1,0,1]=4 3856 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 3857 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 3858 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 3859 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,2,0,0,0,0|1,0,1]=4 3860 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,2,0,0,0,0|1,0,1]=4 3861 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,2,0,0,0,0|1,0,1]=4 3862 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,2,0,0,0,0|1,0,1]=4 3863 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,2,0,0,0,0|0,0,1]=3 3864 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,2,0,0,0,0|0,0,1]=3 3865 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,2,0,0,0,0|0,0,1]=3 3866 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,2,0,0,0,0|0,0,1]=3 3867 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,2,0,0,0,0|0,0,1]=3 3868 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,2,0,0,0,0|0,1,1]=4 3869 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,2,0,0,0,0|0,1,1]=4 3870 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,2,0,0,0,0|0,1,1]=4 3871 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,2,0,0,0,0|0,1,1]=4 3872 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,2,0,0,0,0|0,1,1]=4 3873 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,2,0,0,0,0|0,1,1]=4 3874 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,2,0,0,0,0|0,1,1]=4 3875 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,2,0,0,0,0|0,1,1]=4 3876 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,2,0,0,0,0|1,0,1]=4 3877 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,2,0,0,0,0|1,0,1]=4 3878 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,2,0,0,0,0|1,0,1]=4 3879 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,2,0,0,0,0|1,0,1]=4 3880 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,2,0,0,0,0|1,0,1]=4 3881 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,2,0,0,0,0|1,0,1]=4 3882 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,2,0,0,0,0|1,0,1]=4 3883 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,2,0,0,0,0|0,0,2]=4 3884 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,2,0,0,0,0|0,0,1]=3 3885 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,2,0,0,0,0|0,0,1]=3 3886 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,2,0,0,0,0|0,1,1]=4 3887 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,2,0,0,0,0|0,1,1]=4 3888 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,2,0,0,0,0|0,1,1]=4 3889 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,2,0,0,0,0|0,1,1]=4 3890 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,2,0,0,0,0|1,0,1]=4 3891 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,2,0,0,0,0|1,0,1]=4 3892 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,2,0,0,0,0|0,0,1]=3 3893 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,2,0,0,0,0|1,0,0]=3 3894 B13R1.5 COc1ccc(cc1)CN(C)CF 269982a_100000184145_100015361967 [0,2,0,0,0,0|1,0,1]=4 3895 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,2,0,0,0,0|0,0,2]=4 3896 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,2,0,0,0,0|1,0,1]=4 3897 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,2,0,0,0,0|1,0,1]=4 3898 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,2,0,0,0,0|1,0,1]=4 3899 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,2,0,0,0,0|1,0,1]=4 3900 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,2,0,0,0,0|1,0,1]=4 3901 B13R1.5 COc1ccc(cc1)SC(C)C#N 62a_100000703298_100000171711 [0,2,0,0,0,0|1,0,1]=4 3902 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,2,0,0,0,0|1,0,1]=4 3903 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,2,0,0,0,0|1,0,1]=4 3904 B13R1.5 COc1ccc(cc1)SC(F)C#N 62a_200000117898_100000171711 [0,2,0,0,0,0|1,0,1]=4 3905 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,2,0,0,0,0|1,0,1]=4 3906 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,2,0,0,0,0|1,0,1]=4 3907 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,2,0,0,0,0|1,0,1]=4 3908 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,2,0,0,0,0|1,0,1]=4 3909 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,2,0,0,0,0|1,0,1]=4 3910 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,2,0,0,0,0|0,1,1]=4 3911 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,2,0,0,0,0|0,1,1]=4 3912 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,2,0,0,0,0|1,0,0]=3 3913 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,2,0,0,0,0|0,0,2]=4 3914 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,2,0,0,0,0|1,0,1]=4 3915 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,2,0,0,0,0|0,0,1]=3 3916 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,2,0,0,0,0|0,0,1]=3 3917 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,2,0,0,0,0|0,0,1]=3 3918 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,2,0,0,0,0|0,0,1]=3 3919 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,2,0,0,0,0|0,0,1]=3 3920 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,2,0,0,0,0|0,0,1]=3 3921 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,2,0,0,0,0|1,0,1]=4 3922 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,2,0,0,0,0|1,0,1]=4 3923 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,2,0,0,0,0|1,0,1]=4 3924 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,2,0,0,0,0|1,0,1]=4 3925 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [0,2,0,0,0,0|0,0,2]=4 3926 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,2,0,0,0,0|0,0,1]=3 3927 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,2,0,0,0,0|0,0,1]=3 3928 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,2,0,0,0,0|0,0,1]=3 3929 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,2,0,0,0,0|0,0,1]=3 3930 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,2,0,0,0,0|0,0,1]=3 3931 B13R1.35 COc1ccc(cc1Br)CN(C)C 2230a_100102631434_200011397701 [0,2,0,0,0,0|1,0,1]=4 3932 B13R1.35 COc1ccc(cc1Br)CN(C)C 269982a_100102631434_200011397701 [0,2,0,0,0,0|1,0,1]=4 3933 B13R1.35 COc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000173361 [0,2,0,0,0,0|1,0,1]=4 3934 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,2,0,0,0,0|1,0,1]=4 3935 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,2,0,0,0,0|1,0,1]=4 3936 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,2,0,0,0,0|1,0,1]=4 3937 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,2,0,0,0,0|1,0,1]=4 3938 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,2,0,0,0,0|0,0,2]=4 3939 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,2,0,0,0,0|0,0,1]=3 3940 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,2,0,0,0,0|0,0,1]=3 3941 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,2,0,0,0,0|0,0,1]=3 3942 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,2,0,0,0,0|0,0,1]=3 3943 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,2,0,0,0,0|0,0,1]=3 3944 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100000241087_200000210301 [0,2,0,0,0,0|1,0,1]=4 3945 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100102631434_200011290836 [0,2,0,0,0,0|1,0,1]=4 3946 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100000241087_200000210301 [0,2,0,0,0,0|1,0,1]=4 3947 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100102631434_200011290836 [0,2,0,0,0,0|1,0,1]=4 3948 B13R1.35 COc1ccc(cc1C)CN(C)C 270004a_100102631434_100000239718 [0,2,0,0,0,0|1,0,1]=4 3949 B13R1.35 COc1ccc(cc1C)CN(C)C 34a_100000241087_200000210301 [0,2,0,0,0,0|1,0,1]=4 3950 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 2230a_100000241087_200025704644 [0,2,0,0,0,0|1,0,1]=4 3951 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 269982a_100000241087_200025704644 [0,2,0,0,0,0|1,0,1]=4 3952 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 34a_100000241087_200025704644 [0,2,0,0,0,0|1,0,1]=4 3953 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,2,0,0,0,0|1,0,1]=4 3954 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,2,0,0,0,0|1,0,1]=4 3955 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,2,0,0,0,0|1,0,1]=4 3956 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,2,0,0,0,0|1,0,1]=4 3957 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,2,0,0,0,0|1,0,1]=4 3958 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,2,0,0,0,0|1,0,1]=4 3959 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [0,2,0,0,0,0|0,0,2]=4 3960 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,2,0,0,0,0|0,0,1]=3 3961 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,2,0,0,0,0|0,0,1]=3 3962 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,2,0,0,0,0|0,0,1]=3 3963 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,2,0,0,0,0|0,0,1]=3 3964 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,2,0,0,0,0|0,0,1]=3 3965 B13R1.35 COc1ccc(cc1Cl)CN(C)C 2230a_100102631434_100000693707 [0,2,0,0,0,0|1,0,1]=4 3966 B13R1.35 COc1ccc(cc1Cl)CN(C)C 269982a_100102631434_100000693707 [0,2,0,0,0,0|1,0,1]=4 3967 B13R1.35 COc1ccc(cc1Cl)CN(C)C 270004a_100102631434_100000186747 [0,2,0,0,0,0|1,0,1]=4 3968 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,2,0,0,0,0|1,0,1]=4 3969 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,2,0,0,0,0|1,0,1]=4 3970 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,2,0,0,0,0|1,0,1]=4 3971 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,2,0,0,0,0|1,0,1]=4 3972 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,2,0,0,0,0|1,0,1]=4 3973 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,2,0,0,0,0|1,0,1]=4 3974 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [0,2,0,0,0,0|0,0,2]=4 3975 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,2,0,0,0,0|0,0,1]=3 3976 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,2,0,0,0,0|0,0,1]=3 3977 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,2,0,0,0,0|0,0,1]=3 3978 B13R1.35 COc1ccc(cc1F)CN(C)C 2230a_100102631434_100000189595 [0,2,0,0,0,0|1,0,1]=4 3979 B13R1.35 COc1ccc(cc1F)CN(C)C 269982a_100102631434_100000189595 [0,2,0,0,0,0|1,0,1]=4 3980 B13R1.35 COc1ccc(cc1F)CN(C)C 270004a_100102631434_100000204617 [0,2,0,0,0,0|1,0,1]=4 3981 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,2,0,0,0,0|1,0,1]=4 3982 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,2,0,0,0,0|1,0,1]=4 3983 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,2,0,0,0,0|1,0,1]=4 3984 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,2,0,0,0,0|1,0,1]=4 3985 B13R1.35 COc1ccc(cc1I)CN(C)C 270004a_100102631434_100009827998 [0,2,0,0,0,0|1,0,1]=4 3986 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,2,0,0,0,0|1,0,1]=4 3987 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,2,0,0,0,0|1,0,1]=4 3988 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,2,0,0,0,0|1,0,1]=4 3989 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,2,0,0,0,0|1,0,1]=4 3990 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [0,2,0,0,0,0|0,0,2]=4 3991 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,2,0,0,0,0|0,0,2]=4 3992 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,2,0,0,0,0|0,0,1]=3 3993 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,2,0,0,0,0|0,0,1]=3 3994 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,2,0,0,0,0|0,0,1]=3 3995 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [0,2,0,0,0,0|1,0,1]=4 3996 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [0,2,0,0,0,0|1,0,1]=4 3997 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [0,2,0,0,0,0|1,0,1]=4 3998 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [0,2,0,0,0,0|1,0,1]=4 3999 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,2,0,0,0,0|1,0,1]=4 4000 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,2,0,0,0,0|1,0,1]=4 4001 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,2,0,0,0,0|1,0,1]=4 4002 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,2,0,0,0,0|1,0,1]=4 4003 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,2,0,0,0,0|0,0,2]=4 4004 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,2,0,0,0,0|0,0,1]=3 4005 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,2,0,0,0,0|0,0,1]=3 4006 B13R1.36 COc1ccc(cc1)C(C)N(C)C 2230a_100000736477_200000210301 [0,2,0,0,0,0|1,0,1]=4 4007 B13R1.36 COc1ccc(cc1)C(C)N(C)C 269982a_100000736477_200000210301 [0,2,0,0,0,0|1,0,1]=4 4008 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 2230a_100000736477_200025704644 [0,2,0,0,0,0|1,0,1]=4 4009 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 269982a_100000736477_200025704644 [0,2,0,0,0,0|1,0,1]=4 4010 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|0,0,1]=3 4011 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|0,0,1]=3 4012 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,2,0,0,0,0|1,0,1]=4 4013 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,2,0,0,0,0|1,0,1]=4 4014 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,2,0,0,0,0|1,0,1]=4 4015 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,2,0,0,0,0|1,0,1]=4 4016 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,2,0,0,0,0|1,0,1]=4 4017 B13R1.142 C=C=Cc1ccc(cc1)OC(=O)C 271570a_100015277604_100000002173 [0,2,0,0,0,0|0,0,2]=4 4018 B13R1.142 C=C=Cc1ccc(cc1)OC(=S)C 271570a_100015277604_200009816735 [0,2,0,0,0,0|0,0,2]=4 4019 B13R1.142 C=C=Cc1ccc(cc1)OC(C)C 271570a_100015277604_100000169947 [0,2,0,0,0,0|0,0,2]=4 4020 B13R1.142 C=C=Cc1ccc(cc1)OC(F)F 271570a_100015277604_100000179047 [0,2,0,0,0,0|0,0,2]=4 4021 B13R1.142 C=CCc1ccc(cc1)OC(C)C 34a_100000078792_100000210206 [0,2,0,0,0,0|0,0,0]=2 4022 B13R1.142 C=CCc1ccc(cc1)OC(C)C 7a_100000078792_100000210206 [0,2,0,0,0,0|0,0,0]=2 4023 B13R1.142 C=COc1ccc(cc1)SC(C)C 62a_100000210206_100000704263 [0,2,0,0,0,0|1,1,0]=4 4024 B13R1.142 C=COc1ccc(cc1)SC(C)C 62a_100000704263_100000210206 [0,2,0,0,0,0|1,1,0]=4 4025 B13R1.142 CC(=Cc1ccc(cc1)CC=O)C 271570a_100102525489_100011361690 [0,2,0,0,0,0|2,0,0]=4 4026 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,2,0,0,0,0|0,0,1]=3 4027 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,2,0,0,0,0|0,0,1]=3 4028 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,2,0,0,0,0|0,1,1]=4 4029 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,2,0,0,0,0|0,1,1]=4 4030 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,2,0,0,0,0|1,0,1]=4 4031 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,2,0,0,0,0|1,0,1]=4 4032 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,2,0,0,0,0|1,0,1]=4 4033 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,2,0,0,0,0|1,0,1]=4 4034 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [0,2,0,0,0,0|1,0,1]=4 4035 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 34a_200011266444_200025704644 [0,2,0,0,0,0|0,0,2]=4 4036 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 7a_200011266444_200025704644 [0,2,0,0,0,0|0,0,2]=4 4037 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 34a_100000198970_100000210206 [0,2,0,0,0,0|1,0,1]=4 4038 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 7a_100000198970_100000210206 [0,2,0,0,0,0|1,0,1]=4 4039 B13R1.142 CC(C)Oc1ccc(cc1)CCBr 34a_100009816426_100000210206 [0,2,0,0,0,0|1,0,1]=4 4040 B13R1.142 CC(C)Oc1ccc(cc1)CCBr 7a_100009816426_100000210206 [0,2,0,0,0,0|1,0,1]=4 4041 B13R1.142 CC(C)Oc1ccc(cc1)CCN 34a_100000743037_100000210206 [0,2,0,0,0,0|1,0,1]=4 4042 B13R1.142 CC(C)Oc1ccc(cc1)CCO 34a_100011215338_100000210206 [0,2,0,0,0,0|1,0,1]=4 4043 B13R1.142 CC(C)Oc1ccc(cc1)CCO 7a_100011215338_100000210206 [0,2,0,0,0,0|1,0,1]=4 4044 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 2230a_100020586559_200025704644 [0,2,0,0,0,0|1,0,1]=4 4045 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 34a_100020586559_200025704644 [0,2,0,0,0,0|1,0,1]=4 4046 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 34a_100000173089_200025704644 [0,2,0,0,0,0|1,0,1]=4 4047 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 7a_100000173089_200025704644 [0,2,0,0,0,0|1,0,1]=4 4048 B13R1.142 CC(C)Sc1ccc(cc1)CC=O 62a_100000210206_100011361690 [0,2,0,0,0,0|1,1,0]=4 4049 B13R1.142 CC(C)Sc1ccc(cc1)CC=O 62a_100011361690_100000210206 [0,2,0,0,0,0|1,1,0]=4 4050 B13R1.142 CC(N)Cc1ccc(cc1)OCF 34a_100102634573_100015361967 [0,2,0,0,0,0|0,0,2]=4 4051 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [0,2,0,0,0,0|1,0,1]=4 4052 B13R1.142 CC=Cc1ccc(cc1)CC(=O)N 271570a_100016259895_100000162331 [0,2,0,0,0,0|2,0,0]=4 4053 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [0,2,0,0,0,0|0,0,2]=4 4054 B13R1.142 CC=Cc1ccc(cc1)OC(=S)C 271570a_100016259895_200009816735 [0,2,0,0,0,0|0,0,2]=4 4055 B13R1.142 CC=Cc1ccc(cc1)OC(C)C 271570a_100016259895_100000169947 [0,2,0,0,0,0|0,0,2]=4 4056 B13R1.142 CC=Cc1ccc(cc1)OC(F)F 271570a_100016259895_100000179047 [0,2,0,0,0,0|0,0,2]=4 4057 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,2,0,0,0,0|1,0,1]=4 4058 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,2,0,0,0,0|1,0,1]=4 4059 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,2,0,0,0,0|1,0,1]=4 4060 B13R1.142 CCCc1ccc(cc1)OC(C)C 34a_100000749406_100000210206 [0,2,0,0,0,0|0,0,2]=4 4061 B13R1.142 CCCc1ccc(cc1)OC(C)C 7a_100000749406_100000210206 [0,2,0,0,0,0|0,0,2]=4 4062 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210202 [0,2,0,0,0,0|2,0,0]=4 4063 B13R1.142 CCNc1ccc(cc1)CC(=O)N 34a_100000738315_100000210202 [0,2,0,0,0,0|2,0,0]=4 4064 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [0,2,0,0,0,0|0,0,2]=4 4065 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,2,0,0,0,0|0,0,1]=3 4066 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,2,0,0,0,0|0,0,1]=3 4067 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,2,0,0,0,0|0,0,1]=3 4068 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,2,0,0,0,0|1,0,0]=3 4069 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,2,0,0,0,0|0,0,1]=3 4070 B13R1.142 CCOc1ccc(cc1)CC(C)N 34a_100102634573_100000210202 [0,2,0,0,0,0|0,0,2]=4 4071 B13R1.142 CCOc1ccc(cc1)CN(C)C 2230a_100000180828_200000210301 [0,2,0,0,0,0|1,0,1]=4 4072 B13R1.142 CCOc1ccc(cc1)CN(C)C 269982a_100000180828_200000210301 [0,2,0,0,0,0|1,0,1]=4 4073 B13R1.142 CCOc1ccc(cc1)CN(C)C 270004a_100102631434_100000169836 [0,2,0,0,0,0|1,0,1]=4 4074 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 2230a_100000180828_200025704644 [0,2,0,0,0,0|1,0,1]=4 4075 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 269982a_100000180828_200025704644 [0,2,0,0,0,0|1,0,1]=4 4076 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,2,0,0,0,0|1,0,1]=4 4077 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,2,0,0,0,0|1,0,1]=4 4078 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,2,0,0,0,0|1,0,1]=4 4079 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,2,0,0,0,0|1,0,1]=4 4080 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,2,0,0,0,0|1,0,1]=4 4081 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,2,0,0,0,0|1,0,1]=4 4082 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,2,0,0,0,0|0,1,1]=4 4083 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,2,0,0,0,0|0,1,1]=4 4084 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000210202 [0,2,0,0,0,0|1,1,0]=4 4085 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000210202_100000162331 [0,2,0,0,0,0|1,1,0]=4 4086 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,2,0,0,0,0|2,0,0]=4 4087 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [0,2,0,0,0,0|1,0,1]=4 4088 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [0,2,0,0,0,0|1,0,1]=4 4089 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [0,2,0,0,0,0|1,0,1]=4 4090 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [0,2,0,0,0,0|1,0,1]=4 4091 B13R1.142 CNCc1ccc(cc1)OC(C)C 207a_100102657272_100000169837 [0,2,0,0,0,0|1,0,1]=4 4092 B13R1.142 CNCc1ccc(cc1)OC(C)C 2230a_100020586559_200000210301 [0,2,0,0,0,0|1,0,1]=4 4093 B13R1.142 CNCc1ccc(cc1)OC(C)C 26a_100102657272_100000757185 [0,2,0,0,0,0|1,0,1]=4 4094 B13R1.142 CNCc1ccc(cc1)OC(C)C 270004a_106832991635_100000169837 [0,2,0,0,0,0|1,0,1]=4 4095 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100000207500_100000210206 [0,2,0,0,0,0|1,0,1]=4 4096 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100020586559_200000210301 [0,2,0,0,0,0|1,0,1]=4 4097 B13R1.142 CNCc1ccc(cc1)OC(F)F 207a_100102657272_100000179041 [0,2,0,0,0,0|1,0,1]=4 4098 B13R1.142 CNCc1ccc(cc1)OC(F)F 2230a_100000181771_200000210301 [0,2,0,0,0,0|1,0,1]=4 4099 B13R1.142 CNCc1ccc(cc1)OC(F)F 2230a_106832991635_100011217905 [0,2,0,0,0,0|1,0,1]=4 4100 B13R1.142 CNCc1ccc(cc1)OC(F)F 270004a_106832991635_100000179041 [0,2,0,0,0,0|1,0,1]=4 4101 B13R1.142 CNCc1ccc(cc1)OC(F)F 34a_100000181771_200000210301 [0,2,0,0,0,0|1,0,1]=4 4102 B13R1.142 CNCc1ccc(cc1)OC(F)F 34a_100102657272_100011217905 [0,2,0,0,0,0|1,0,1]=4 4103 B13R1.142 CNCc1ccc(cc1)OC(F)F 7a_106832991635_100011217905 [0,2,0,0,0,0|1,0,1]=4 4104 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [0,2,0,0,0,0|0,0,2]=4 4105 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,2,0,0,0,0|0,0,1]=3 4106 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,2,0,0,0,0|0,0,1]=3 4107 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_100138415774_100011982790 [0,2,0,0,0,0|0,0,2]=4 4108 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_200011266444_200000210301 [0,2,0,0,0,0|0,0,2]=4 4109 B13R1.142 COCc1ccc(cc1)CC(C)C 7a_200011266444_200000210301 [0,2,0,0,0,0|0,0,2]=4 4110 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,2,0,0,0,0|1,0,1]=4 4111 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,2,0,0,0,0|1,0,1]=4 4112 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,2,0,0,0,0|1,0,1]=4 4113 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,2,0,0,0,0|1,0,1]=4 4114 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,2,0,0,0,0|1,0,1]=4 4115 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,2,0,0,0,0|1,0,1]=4 4116 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,2,0,0,0,0|1,0,1]=4 4117 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_100000173089_200000210301 [0,2,0,0,0,0|1,0,1]=4 4118 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_200011995677_100000210206 [0,2,0,0,0,0|1,0,1]=4 4119 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_100000173089_200000210301 [0,2,0,0,0,0|1,0,1]=4 4120 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_200011995677_100000210206 [0,2,0,0,0,0|1,0,1]=4 4121 B13R1.142 COCc1ccc(cc1)OC(F)F 34a_100000742319_200000210301 [0,2,0,0,0,0|1,0,1]=4 4122 B13R1.142 COCc1ccc(cc1)OC(F)F 34a_100138415774_100011217905 [0,2,0,0,0,0|1,0,1]=4 4123 B13R1.142 COCc1ccc(cc1)OC(F)F 7a_100000742319_200000210301 [0,2,0,0,0,0|1,0,1]=4 4124 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [0,2,0,0,0,0|1,0,1]=4 4125 B13R1.142 CSCc1ccc(cc1)OC(F)F 62a_100011217905_200000210301 [0,2,0,0,0,0|1,0,1]=4 4126 B13R1.142 CSCc1ccc(cc1)OC(F)F 62a_200000210301_100011217905 [0,2,0,0,0,0|1,0,1]=4 4127 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 34a_100000738315_100015361967 [0,2,0,0,0,0|2,0,0]=4 4128 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,2,0,0,0,0|1,0,0]=3 4129 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100000162331_100015361967 [0,2,0,0,0,0|1,1,0]=4 4130 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000162331 [0,2,0,0,0,0|1,1,0]=4 4131 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,2,0,0,0,0|2,0,0]=4 4132 B13R1.142 [13CH3]NCc1ccc(cc1)OC(F)F 2230a_100000181771_200025704644 [0,2,0,0,0,0|1,0,1]=4 4133 B13R1.142 [13CH3]NCc1ccc(cc1)OC(F)F 34a_100000181771_200025704644 [0,2,0,0,0,0|1,0,1]=4 4134 B13R1.142 [13CH3]OCc1ccc(cc1)OC(F)F 34a_100000742319_200025704644 [0,2,0,0,0,0|1,0,1]=4 4135 B13R1.142 [13CH3]OCc1ccc(cc1)OC(F)F 7a_100000742319_200025704644 [0,2,0,0,0,0|1,0,1]=4 4136 B13R1.142 [13CH3]SCc1ccc(cc1)OC(F)F 62a_100011217905_200025704644 [0,2,0,0,0,0|1,0,1]=4 4137 B13R1.142 [13CH3]SCc1ccc(cc1)OC(F)F 62a_200025704644_100011217905 [0,2,0,0,0,0|1,0,1]=4 4138 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,2,0,0,0,0|1,0,1]=4 4139 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)N 271570a_100000694244_100000162331 [0,2,0,0,0,0|2,0,0]=4 4140 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,2,0,0,0,0|1,0,1]=4 4141 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,2,0,0,0,0|1,0,1]=4 4142 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,2,0,0,0,0|1,0,1]=4 4143 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,2,0,0,0,0|1,0,1]=4 4144 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,2,0,0,0,0|1,0,1]=4 4145 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,2,0,0,0,0|1,0,1]=4 4146 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,2,0,0,0,0|0,0,1]=3 4147 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,2,0,0,0,0|0,0,1]=3 4148 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,2,0,0,0,0|0,0,2]=4 4149 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,2,0,0,0,0|0,0,1]=3 4150 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,2,0,0,0,0|0,0,1]=3 4151 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,2,0,0,0,0|0,0,1]=3 4152 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 2230a_100102631434_100011982828 [0,2,0,0,0,0|1,0,1]=4 4153 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 269982a_100102631434_100011982828 [0,2,0,0,0,0|1,0,1]=4 4154 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000723261 [0,2,0,0,0,0|1,0,1]=4 4155 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,2,0,0,0,0|1,0,1]=4 4156 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,2,0,0,0,0|1,0,1]=4 4157 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,2,0,0,0,0|1,0,1]=4 4158 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,2,0,0,0,0|1,0,1]=4 4159 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,2,0,0,0,0|0,0,2]=4 4160 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,2,0,0,0,0|0,0,1]=3 4161 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,2,0,0,0,0|0,0,1]=3 4162 B13R1.653 COc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100011214997 [0,2,0,0,0,0|1,0,1]=4 4163 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,2,0,0,0,0|1,0,1]=4 4164 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,2,0,0,0,0|1,0,1]=4 4165 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,2,0,0,0,0|1,0,1]=4 4166 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,2,0,0,0,0|1,0,1]=4 4167 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,2,0,0,0,0|0,0,1]=3 4168 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,2,0,0,0,0|0,0,1]=3 4169 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,2,0,0,0,0|0,0,1]=3 4170 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,2,0,0,0,0|0,0,1]=3 4171 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,2,0,0,0,0|0,0,1]=3 4172 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_200011830453 [0,2,0,0,0,0|1,0,1]=4 4173 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_200011830453 [0,2,0,0,0,0|1,0,1]=4 4174 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100000235372 [0,2,0,0,0,0|1,0,1]=4 4175 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,2,0,0,0,0|1,0,1]=4 4176 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,2,0,0,0,0|1,0,1]=4 4177 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,2,0,0,0,0|1,0,1]=4 4178 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,2,0,0,0,0|1,0,1]=4 4179 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,2,0,0,0,0|0,0,2]=4 4180 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,2,0,0,0,0|0,0,1]=3 4181 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,2,0,0,0,0|0,0,1]=3 4182 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,2,0,0,0,0|0,0,1]=3 4183 B13R1.653 COc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011260761 [0,2,0,0,0,0|1,0,1]=4 4184 B13R1.653 COc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011260761 [0,2,0,0,0,0|1,0,1]=4 4185 B13R1.653 COc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011216087 [0,2,0,0,0,0|1,0,1]=4 4186 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,2,0,0,0,0|1,0,1]=4 4187 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,2,0,0,0,0|1,0,1]=4 4188 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,2,0,0,0,0|1,0,1]=4 4189 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,2,0,0,0,0|1,0,1]=4 4190 B13R1.653 COc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010159643 [0,2,0,0,0,0|1,0,1]=4 4191 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,2,0,0,0,0|1,0,1]=4 4192 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,2,0,0,0,0|1,0,1]=4 4193 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,2,0,0,0,0|1,0,1]=4 4194 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,2,0,0,0,0|1,0,1]=4 4195 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,2,0,0,0,0|0,0,2]=4 4196 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,2,0,0,0,0|0,0,2]=4 4197 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,2,0,0,0,0|1,0,1]=4 4198 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,2,0,0,0,0|1,0,1]=4 4199 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,2,0,0,0,0|0,0,2]=4 4200 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,2,0,0,0,0|0,0,2]=4 4201 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,2,0,0,0,0|0,0,2]=4 4202 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,2,0,0,0,0|0,0,2]=4 4203 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,2,0,0,0,0|0,0,2]=4 4204 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|0,0,2]=4 4205 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|0,0,2]=4 4206 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|0,0,2]=4 4207 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|0,0,2]=4 4208 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|1,0,1]=4 4209 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|1,0,1]=4 4210 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 4211 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 4212 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 4213 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 4214 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|1,0,1]=4 4215 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|1,0,1]=4 4216 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|1,0,1]=4 4217 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|1,0,1]=4 4218 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,2,0,0,0,0|1,0,1]=4 4219 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,2,0,0,0,0|1,0,1]=4 4220 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,2,0,0,0,0|1,0,1]=4 4221 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,2,0,0,0,0|1,0,1]=4 4222 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|1,0,1]=4 4223 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,2,0,0,0,0|1,0,1]=4 4224 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,2,0,0,0,0|1,0,1]=4 4225 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,2,0,0,0,0|1,0,1]=4 4226 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,2,0,0,0,0|1,0,1]=4 4227 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|1,0,1]=4 4228 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|1,0,1]=4 4229 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|1,0,1]=4 4230 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|1,0,1]=4 4231 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,2,0,0,0,0|1,0,1]=4 4232 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,2,0,0,0,0|1,0,1]=4 4233 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,2,0,0,0,0|1,0,1]=4 4234 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,2,0,0,0,0|1,0,1]=4 4235 B13R1.139 C=C=Cc1ccc(cc1)C(=O)OC 271570a_100015277604_100000150774 [0,2,0,0,0,0|0,0,2]=4 4236 B13R1.139 C=C=Cc1ccc(cc1)C(C)OC 271570a_100015277604_100010254937 [0,2,0,0,0,0|0,0,2]=4 4237 B13R1.139 CC(CN)c1ccc(cc1)OCF 34a_200015188644_100015361967 [0,2,0,0,0,0|1,0,1]=4 4238 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,2,0,0,0,0|0,0,2]=4 4239 B13R1.139 CC=Cc1ccc(cc1)C(C)OC 271570a_100016259895_100010254937 [0,2,0,0,0,0|0,0,2]=4 4240 B13R1.139 CCC(C)c1ccc(cc1)OCF 34a_100000211540_100015361967 [0,2,0,0,0,0|0,0,2]=4 4241 B13R1.139 CCC(C)c1ccc(cc1)OCF 7a_100000211540_100015361967 [0,2,0,0,0,0|0,0,2]=4 4242 B13R1.139 CCC(N)c1ccc(cc1)OCF 34a_100015187210_100015361967 [0,2,0,0,0,0|0,0,2]=4 4243 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [0,2,0,0,0,0|0,0,2]=4 4244 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [0,2,0,0,0,0|0,0,2]=4 4245 B13R1.139 CCOc1ccc(cc1)C(C)CN 34a_200015188644_100000210202 [0,2,0,0,0,0|1,0,1]=4 4246 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [0,2,0,0,0,0|1,0,1]=4 4247 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [0,2,0,0,0,0|1,0,1]=4 4248 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [0,2,0,0,0,0|1,0,1]=4 4249 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,2,0,0,0,0|1,0,1]=4 4250 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,2,0,0,0,0|1,0,1]=4 4251 B13R1.139 CCOc1ccc(cc1)C(N)CC 34a_100015187210_100000210202 [0,2,0,0,0,0|0,0,2]=4 4252 B13R1.139 CCOc1ccc(cc1)C(O)CN 34a_100000067596_100000210202 [0,2,0,0,0,0|1,0,1]=4 4253 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,2,0,0,0,0|1,0,1]=4 4254 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,2,0,0,0,0|1,0,1]=4 4255 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,2,0,0,0,0|1,0,1]=4 4256 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,2,0,0,0,0|1,0,1]=4 4257 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,2,0,0,0,0|1,0,1]=4 4258 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,2,0,0,0,0|1,0,1]=4 4259 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,2,0,0,0,0|1,0,1]=4 4260 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,2,0,0,0,0|1,0,1]=4 4261 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,2,0,0,0,0|1,0,1]=4 4262 B13R1.139 CNCc1ccc(cc1)C(C)OC 26a_100102657272_200010658654 [0,2,0,0,0,0|1,0,1]=4 4263 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|1,0,1]=4 4264 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|1,0,1]=4 4265 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,2,0,0,0,0|1,0,1]=4 4266 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,2,0,0,0,0|1,0,1]=4 4267 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,2,0,0,0,0|1,0,1]=4 4268 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,2,0,0,0,0|1,0,1]=4 4269 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,2,0,0,0,0|1,0,1]=4 4270 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,2,0,0,0,0|1,0,1]=4 4271 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|1,0,1]=4 4272 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|1,0,1]=4 4273 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|1,0,1]=4 4274 B13R1.139 NCC(O)c1ccc(cc1)OCF 34a_100000067596_100015361967 [0,2,0,0,0,0|1,0,1]=4 4275 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 34a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 4276 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 7a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 4277 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_100010228009_200025704644 [0,2,0,0,0,0|1,1,0]=4 4278 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010228009 [0,2,0,0,0,0|1,1,0]=4 4279 B13R1.187 CCC(C)(C)c1ccc(cc1)OC 7a_100000211029_200000210301 [0,2,0,0,0,0|0,0,2]=4 4280 B13R1.187 CCC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000211029_200025704644 [0,2,0,0,0,0|0,0,2]=4 4281 B13R1.187 CNC(C)(C)c1ccc(cc1)OC 2230a_200015186604_200000210301 [0,2,0,0,0,0|1,0,1]=4 4282 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 34a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 4283 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 7a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 4284 B13R1.187 COc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200015186604_200025704644 [0,2,0,0,0,0|1,0,1]=4 4285 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|1,0,1]=4 4286 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|1,0,1]=4 4287 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|1,0,1]=4 4288 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|1,0,1]=4 4289 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_100010228009_200000210301 [0,2,0,0,0,0|1,1,0]=4 4290 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_200000210301_100010228009 [0,2,0,0,0,0|1,1,0]=4 4291 B13R1.452 C#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000184674 [0,2,0,0,0,0|0,0,2]=4 4292 B13R1.452 C#CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000038162 [0,2,0,0,0,0|0,0,2]=4 4293 B13R1.452 C#CCN(C)c1ccc(cc1)OC 34a_100000220023_100000184674 [0,2,0,0,0,0|0,0,2]=4 4294 B13R1.452 C#Cc1ccc(cc1)C(=O)CC=C 1458a_100011217615_100000210623 [0,2,0,0,0,0|1,0,1]=4 4295 B13R1.452 C=CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210623 [0,2,0,0,0,0|2,0,0]=4 4296 B13R1.452 C=CCC(=O)c1ccc(cc1)C=C 1458a_100000687532_100000210623 [0,2,0,0,0,0|1,0,1]=4 4297 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,2,0,0,0,0|1,0,0]=3 4298 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,2,0,0,0,0|2,0,0]=4 4299 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,2,0,0,0,0|0,0,0]=2 4300 B13R1.452 C=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210623 [0,2,0,0,0,0|0,1,0]=3 4301 B13R1.452 C=CCC(O)c1ccc(cc1)C=C 271570a_100011290941_100011466436 [0,2,0,0,0,0|1,0,1]=4 4302 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_100011466436_200000210301 [0,2,0,0,0,0|0,1,0]=3 4303 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_200000210301_100011466436 [0,2,0,0,0,0|0,1,0]=3 4304 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_100011466436_200025704644 [0,2,0,0,0,0|0,1,0]=3 4305 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011466436 [0,2,0,0,0,0|0,1,0]=3 4306 B13R1.452 C=CCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000210623 [0,2,0,0,0,0|2,0,0]=4 4307 B13R1.452 C=CCN(C)c1ccc(cc1)C#N 34a_100000739737_100015514636 [0,2,0,0,0,0|2,0,0]=4 4308 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,2,0,0,0,0|0,0,0]=2 4309 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,2,0,0,0,0|0,0,0]=2 4310 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,2,0,0,0,0|0,0,0]=2 4311 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,2,0,0,0,0|0,0,2]=4 4312 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,2,0,0,0,0|0,0,2]=4 4313 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,2,0,0,0,0|0,0,2]=4 4314 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,2,0,0,0,0|0,0,2]=4 4315 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,2,0,0,0,0|0,0,2]=4 4316 B13R1.452 CCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210303 [0,2,0,0,0,0|0,0,2]=4 4317 B13R1.452 CCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210303 [0,2,0,0,0,0|0,0,2]=4 4318 B13R1.452 CCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210303 [0,2,0,0,0,0|0,0,2]=4 4319 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,2,0,0,0,0|0,0,2]=4 4320 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,2,0,0,0,0|0,0,2]=4 4321 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|0,0,2]=4 4322 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|0,0,2]=4 4323 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,2,0,0,0,0|1,0,1]=4 4324 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,2,0,0,0,0|1,0,1]=4 4325 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 4326 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 4327 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|0,0,2]=4 4328 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|0,0,2]=4 4329 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|1,0,1]=4 4330 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|1,0,1]=4 4331 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|1,0,1]=4 4332 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|1,0,1]=4 4333 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|0,0,2]=4 4334 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,2,0,0,0,0|1,0,1]=4 4335 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,2,0,0,0,0|1,0,1]=4 4336 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,2,0,0,0,0|1,0,1]=4 4337 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,2,0,0,0,0|1,0,1]=4 4338 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,2,0,0,0,0|1,0,1]=4 4339 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,2,0,0,0,0|1,0,1]=4 4340 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|1,0,1]=4 4341 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,2,0,0,0,0|1,0,1]=4 4342 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,2,0,0,0,0|1,0,1]=4 4343 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,2,0,0,0,0|1,0,1]=4 4344 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,2,0,0,0,0|1,0,1]=4 4345 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,2,0,0,0,0|1,0,1]=4 4346 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,2,0,0,0,0|1,0,1]=4 4347 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|0,0,2]=4 4348 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 4349 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 4350 B13R1.452 COc1ccc(cc1)N(C)CC#N 2230a_100000220023_100011215382 [0,2,0,0,0,0|1,0,1]=4 4351 B13R1.452 COc1ccc(cc1)N(C)CC#N 269982a_100000220023_100011214920 [0,2,0,0,0,0|1,0,1]=4 4352 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,2,0,0,0,0|1,0,0]=3 4353 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,2,0,0,0,0|1,0,0]=3 4354 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,2,0,0,0,0|1,0,0]=3 4355 B13R1.452 COc1ccc(cc1)N(C)CCF 2230a_100000220023_100011217306 [0,2,0,0,0,0|1,0,1]=4 4356 B13R1.452 COc1ccc(cc1)N(C)CCF 269982a_100000220023_100011217306 [0,2,0,0,0,0|1,0,1]=4 4357 B13R1.452 COc1ccc(cc1)N(C)CCF 34a_100000220023_100011217306 [0,2,0,0,0,0|1,0,1]=4 4358 B13R1.452 COc1ccc(cc1)N(C)CCO 2230a_100000220023_100000211926 [0,2,0,0,0,0|1,0,1]=4 4359 B13R1.452 COc1ccc(cc1)N(C)CCO 269982a_100000220023_100000211926 [0,2,0,0,0,0|1,0,1]=4 4360 B13R1.452 COc1ccc(cc1)N(C)CCO 34a_100000220023_100000211926 [0,2,0,0,0,0|1,0,1]=4 4361 B13R1.452 COc1ccc(cc1)N(C)CSC 2230a_100000220023_100011218213 [0,2,0,0,0,0|1,0,1]=4 4362 B13R1.452 COc1ccc(cc1)N(C)CSC 269982a_100000220023_100011218213 [0,2,0,0,0,0|1,0,1]=4 4363 B13R1.452 COc1ccc(cc1)N(C)CSC 34a_100000220023_100011218213 [0,2,0,0,0,0|1,0,1]=4 4364 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200000210301_200020603514 [0,2,0,0,0,0|0,1,1]=4 4365 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200000210301 [0,2,0,0,0,0|0,1,1]=4 4366 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,2,0,0,0,0|1,0,1]=4 4367 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,2,0,0,0,0|1,0,1]=4 4368 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200025704644 [0,2,0,0,0,0|0,1,1]=4 4369 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200025704644_200020603514 [0,2,0,0,0,0|0,1,1]=4 4370 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [0,2,0,0,0,0|1,0,1]=4 4371 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [0,2,0,0,0,0|1,0,1]=4 4372 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [0,2,0,0,0,0|1,0,1]=4 4373 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [0,2,0,0,0,0|1,0,1]=4 4374 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [0,2,0,0,0,0|1,0,1]=4 4375 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [0,2,0,0,0,0|1,0,1]=4 4376 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [0,2,0,0,0,0|1,0,1]=4 4377 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [0,2,0,0,0,0|1,0,1]=4 4378 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [0,2,0,0,0,0|1,0,1]=4 4379 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,2,0,0,0,0|1,0,1]=4 4380 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,2,0,0,0,0|1,0,1]=4 4381 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,2,0,0,0,0|1,0,1]=4 4382 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,2,0,0,0,0|1,0,1]=4 4383 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,2,0,0,0,0|1,0,1]=4 4384 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [0,2,0,0,0,0|1,0,1]=4 4385 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [0,2,0,0,0,0|1,0,1]=4 4386 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [0,2,0,0,0,0|1,0,1]=4 4387 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [0,2,0,0,0,0|1,0,1]=4 4388 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,2,0,0,0,0|1,0,1]=4 4389 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,2,0,0,0,0|1,0,1]=4 4390 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,2,0,0,0,0|1,0,1]=4 4391 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,2,0,0,0,0|1,0,1]=4 4392 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,2,0,0,0,0|1,0,1]=4 4393 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,2,0,0,0,0|1,0,1]=4 4394 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,2,0,0,0,0|1,0,1]=4 4395 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,2,0,0,0,0|1,0,1]=4 4396 B13R1.3 C#Cc1ccc(cc1)NCC(=C)C 34a_100011215031_100000748629 [0,2,0,0,0,0|1,0,1]=4 4397 B13R1.3 C#Cc1ccc(cc1)NCC(=C)F 34a_100011215031_100009893438 [0,2,0,0,0,0|1,0,1]=4 4398 B13R1.3 C=C(C)CNc1ccc(cc1)C#N 34a_100000185469_100000748629 [0,2,0,0,0,0|2,0,0]=4 4399 B13R1.3 C=C(C)CNc1ccc(cc1)CC 2230a_100000211069_100000748629 [0,2,0,0,0,0|1,0,0]=3 4400 B13R1.3 C=C(C)CNc1ccc(cc1)CC 34a_100000211069_100000748629 [0,2,0,0,0,0|1,0,0]=3 4401 B13R1.3 C=C(C)CNc1ccc(cc1)CO 2230a_100011215238_100000748629 [0,2,0,0,0,0|2,0,0]=4 4402 B13R1.3 C=C(C)CNc1ccc(cc1)CO 34a_100011215238_100000748629 [0,2,0,0,0,0|2,0,0]=4 4403 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,2,0,0,0,0|0,0,0]=2 4404 B13R1.3 C=C(C)CNc1ccc(cc1)SC 34a_100000212337_100000748629 [0,2,0,0,0,0|0,1,0]=3 4405 B13R1.3 C=C(C)CNc1ccc(cn1)SC 27a_100000765925_100009820866 [0,2,0,0,0,0|1,1,0]=4 4406 B13R1.3 C=C(C)CNc1ccc(nn1)OC 27a_100000765925_100010231723 [0,2,0,0,0,0|2,0,0]=4 4407 B13R1.3 C=C(C)CNc1ncc(cn1)OC 27a_100000765925_100000069167 [0,2,0,0,0,0|2,0,0]=4 4408 B13R1.3 C=C(C)COc1ccc(cc1)C#N 34a_100000210344_100000748629 [0,2,0,0,0,0|2,0,0]=4 4409 B13R1.3 C=C(C)COc1ccc(cc1)C#N 7a_100000210344_100000748629 [0,2,0,0,0,0|2,0,0]=4 4410 B13R1.3 C=C(C)COc1ccc(cc1)CC 34a_100000211359_100000748629 [0,2,0,0,0,0|1,0,0]=3 4411 B13R1.3 C=C(C)COc1ccc(cc1)CC 7a_100000211359_100000748629 [0,2,0,0,0,0|1,0,0]=3 4412 B13R1.3 C=C(C)COc1ccc(cc1)CN 34a_100000185549_100000748629 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.3 C=C(C)COc1ccc(cc1)CO 34a_100000211755_100000748629 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.3 C=C(C)COc1ccc(cc1)NC 2230a_200015186533_200000210301 [0,2,0,0,0,0|1,0,0]=3 4415 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_100000182112_100000748629 [0,2,0,0,0,0|1,0,0]=3 4416 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_200015186533_200000210301 [0,2,0,0,0,0|1,0,0]=3 4417 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 2230a_200015186533_200025704644 [0,2,0,0,0,0|1,0,0]=3 4418 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 34a_200015186533_200025704644 [0,2,0,0,0,0|1,0,0]=3 4419 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,2,0,0,0,0|0,0,0]=2 4420 B13R1.3 C=C(C)COc1ccc(cc1)SC 34a_100000211864_100000748629 [0,2,0,0,0,0|0,1,0]=3 4421 B13R1.3 C=C(C)COc1ccc(cn1)OC 34a_100012002028_100000748629 [0,2,0,0,0,0|1,0,0]=3 4422 B13R1.3 C=C(C)COc1ccc(nc1)OC 34a_100011934560_100000748629 [0,2,0,0,0,0|1,0,0]=3 4423 B13R1.3 C=C(C)COc1cnc(nc1)OC 34a_100000099601_100000748629 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.3 C=C(C)COc1cnc(nc1)OC 7a_100000099601_100000748629 [0,2,0,0,0,0|2,0,0]=4 4425 B13R1.3 C=C(C)CSc1ccc(cc1)C#N 62a_100000748629_100000184291 [0,2,0,0,0,0|2,0,0]=4 4426 B13R1.3 C=C(C)CSc1ccc(cc1)C=O 62a_100000188517_100000211660 [0,2,0,0,0,0|2,0,0]=4 4427 B13R1.3 C=C(C)CSc1ccc(cc1)C=O 62a_100000748629_100000188517 [0,2,0,0,0,0|2,0,0]=4 4428 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100000748629_100011215824 [0,2,0,0,0,0|1,0,0]=3 4429 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100011215824_100000211660 [0,2,0,0,0,0|1,0,0]=3 4430 B13R1.3 C=C(C)CSc1ccc(cc1)CF 62a_100000748629_100010268989 [0,2,0,0,0,0|2,0,0]=4 4431 B13R1.3 C=C(C)CSc1ccc(cc1)CF 62a_100010268989_100000211660 [0,2,0,0,0,0|2,0,0]=4 4432 B13R1.3 C=C(C)CSc1ccc(cc1)CN 62a_100000748629_100016989417 [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.3 C=C(C)CSc1ccc(cc1)CN 62a_100016989417_100000211660 [0,2,0,0,0,0|2,0,0]=4 4434 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000690907_100000211660 [0,2,0,0,0,0|2,0,0]=4 4435 B13R1.3 C=C(C)CSc1ccc(cc1)CO 62a_100000748629_100000690907 [0,2,0,0,0,0|2,0,0]=4 4436 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000743151_100000211660 [0,2,0,0,0,0|1,0,0]=3 4437 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000748629_100000743151 [0,2,0,0,0,0|1,0,0]=3 4438 B13R1.3 C=C(C)CSc1ccc(cc1)NN 62a_100000748629_100016988836 [0,2,0,0,0,0|2,0,0]=4 4439 B13R1.3 C=C(C)CSc1ccc(cc1)NN 62a_100016988836_100000211660 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,2,0,0,0,0|0,0,0]=2 4441 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100000748629_100011263217 [0,2,0,0,0,0|0,1,0]=3 4442 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100011263217_100000211660 [0,2,0,0,0,0|0,1,0]=3 4443 B13R1.3 C=C(C)CSc1ccc(cn1)CC 62a_100000748629_100009843584 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.3 C=C(C)CSc1ccc(cn1)CC 62a_100009843584_100000211660 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.3 C=C(C)CSc1ccc(cn1)NC 62a_100000748629_100000764248 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.3 C=C(C)CSc1ccc(cn1)NC 62a_100000764248_100000211660 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000748629_100000744180 [0,2,0,0,0,0|1,0,0]=3 4448 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000755202_100000211660 [0,2,0,0,0,0|1,0,0]=3 4449 B13R1.3 C=C(C)CSc1ccc(cn1)SC 62a_100000748629_100009820866 [0,2,0,0,0,0|1,1,0]=4 4450 B13R1.3 C=C(C)CSc1ccc(cn1)SC 62a_100009820866_100000211660 [0,2,0,0,0,0|1,1,0]=4 4451 B13R1.3 C=C(C)CSc1ccc(nc1)CC 62a_100000748629_100009820025 [0,2,0,0,0,0|2,0,0]=4 4452 B13R1.3 C=C(C)CSc1ccc(nc1)CC 62a_100009820025_100000211660 [0,2,0,0,0,0|2,0,0]=4 4453 B13R1.3 C=C(C)CSc1ccc(nc1)NC 62a_100000741341_100000211660 [0,2,0,0,0,0|2,0,0]=4 4454 B13R1.3 C=C(C)CSc1ccc(nc1)NC 62a_100000748629_100000741341 [0,2,0,0,0,0|2,0,0]=4 4455 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000047065_100000211660 [0,2,0,0,0,0|1,0,0]=3 4456 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000748629_100000047065 [0,2,0,0,0,0|1,0,0]=3 4457 B13R1.3 C=C(C)CSc1ccc(nc1)SC 62a_100000748629_100011408404 [0,2,0,0,0,0|1,1,0]=4 4458 B13R1.3 C=C(C)CSc1ccc(nc1)SC 62a_100011408404_100000211660 [0,2,0,0,0,0|1,1,0]=4 4459 B13R1.3 C=C(C)CSc1ccc(nn1)OC 62a_100000748629_100009819040 [0,2,0,0,0,0|2,0,0]=4 4460 B13R1.3 C=C(C)CSc1ccc(nn1)OC 62a_100009819040_100000211660 [0,2,0,0,0,0|2,0,0]=4 4461 B13R1.3 C=C(C)CSc1cnc(cn1)OC 62a_100000748629_100011998698 [0,2,0,0,0,0|2,0,0]=4 4462 B13R1.3 C=C(C)CSc1cnc(cn1)OC 62a_100011998698_100000211660 [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.3 C=C(C)CSc1cnc(nc1)OC 62a_100000686852_100000211660 [0,2,0,0,0,0|2,0,0]=4 4464 B13R1.3 C=C(C)CSc1cnc(nc1)OC 62a_100000748629_100000686852 [0,2,0,0,0,0|2,0,0]=4 4465 B13R1.3 C=C(C)CSc1ncc(cn1)OC 62a_100000069167_100000211660 [0,2,0,0,0,0|2,0,0]=4 4466 B13R1.3 C=C(C)CSc1ncc(cn1)OC 62a_100000748629_100000069167 [0,2,0,0,0,0|2,0,0]=4 4467 B13R1.3 C=C(F)CNc1ccc(cc1)C#N 34a_100000185469_100009893438 [0,2,0,0,0,0|2,0,0]=4 4468 B13R1.3 C=C(F)CNc1ccc(cc1)CC 2230a_100000211069_100009893438 [0,2,0,0,0,0|1,0,0]=3 4469 B13R1.3 C=C(F)CNc1ccc(cc1)CC 34a_100000211069_100009893438 [0,2,0,0,0,0|1,0,0]=3 4470 B13R1.3 C=C(F)CNc1ccc(cc1)CO 2230a_100011215238_100009893438 [0,2,0,0,0,0|2,0,0]=4 4471 B13R1.3 C=C(F)CNc1ccc(cc1)CO 34a_100011215238_100009893438 [0,2,0,0,0,0|2,0,0]=4 4472 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,2,0,0,0,0|0,0,0]=2 4473 B13R1.3 C=C(F)CNc1ccc(cc1)SC 34a_100000212337_100009893438 [0,2,0,0,0,0|0,1,0]=3 4474 B13R1.3 C=C(F)COc1ccc(cc1)C#N 34a_100000210344_100009893438 [0,2,0,0,0,0|2,0,0]=4 4475 B13R1.3 C=C(F)COc1ccc(cc1)C#N 7a_100000210344_100000042424 [0,2,0,0,0,0|2,0,0]=4 4476 B13R1.3 C=C(F)COc1ccc(cc1)CC 34a_100000211359_100009893438 [0,2,0,0,0,0|1,0,0]=3 4477 B13R1.3 C=C(F)COc1ccc(cc1)CC 7a_100000211359_100000042424 [0,2,0,0,0,0|1,0,0]=3 4478 B13R1.3 C=C(F)COc1ccc(cc1)CN 34a_100000185549_100009893438 [0,2,0,0,0,0|2,0,0]=4 4479 B13R1.3 C=C(F)COc1ccc(cc1)CO 34a_100000211755_100009893438 [0,2,0,0,0,0|2,0,0]=4 4480 B13R1.3 C=C(F)COc1ccc(cc1)NC 34a_100000182112_100009893438 [0,2,0,0,0,0|1,0,0]=3 4481 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,2,0,0,0,0|0,0,0]=2 4482 B13R1.3 C=C(F)COc1ccc(cc1)SC 34a_100000211864_100009893438 [0,2,0,0,0,0|0,1,0]=3 4483 B13R1.3 C=C(F)COc1ccc(cn1)OC 34a_100012002028_100009893438 [0,2,0,0,0,0|1,0,0]=3 4484 B13R1.3 C=C(F)COc1ccc(nc1)OC 34a_100011934560_100009893438 [0,2,0,0,0,0|1,0,0]=3 4485 B13R1.3 C=C(F)COc1cnc(nc1)OC 34a_100000099601_100009893438 [0,2,0,0,0,0|2,0,0]=4 4486 B13R1.3 C=C(F)COc1cnc(nc1)OC 7a_100000099601_100000042424 [0,2,0,0,0,0|2,0,0]=4 4487 B13R1.3 C=C(F)CSc1ccc(cc1)C#N 62a_100000042424_100000184291 [0,2,0,0,0,0|2,0,0]=4 4488 B13R1.3 C=C(F)CSc1ccc(cc1)C=O 62a_100000042424_100000188517 [0,2,0,0,0,0|2,0,0]=4 4489 B13R1.3 C=C(F)CSc1ccc(cc1)C=O 62a_100000188517_100000042424 [0,2,0,0,0,0|2,0,0]=4 4490 B13R1.3 C=C(F)CSc1ccc(cc1)CC 62a_100000042424_100011215824 [0,2,0,0,0,0|1,0,0]=3 4491 B13R1.3 C=C(F)CSc1ccc(cc1)CC 62a_100011215824_100000042424 [0,2,0,0,0,0|1,0,0]=3 4492 B13R1.3 C=C(F)CSc1ccc(cc1)CF 62a_100000042424_100010268989 [0,2,0,0,0,0|2,0,0]=4 4493 B13R1.3 C=C(F)CSc1ccc(cc1)CF 62a_100010268989_100000042424 [0,2,0,0,0,0|2,0,0]=4 4494 B13R1.3 C=C(F)CSc1ccc(cc1)CN 62a_100000042424_100016989417 [0,2,0,0,0,0|2,0,0]=4 4495 B13R1.3 C=C(F)CSc1ccc(cc1)CN 62a_100016989417_100000042424 [0,2,0,0,0,0|2,0,0]=4 4496 B13R1.3 C=C(F)CSc1ccc(cc1)CO 62a_100000042424_100000690907 [0,2,0,0,0,0|2,0,0]=4 4497 B13R1.3 C=C(F)CSc1ccc(cc1)CO 62a_100000690907_100000042424 [0,2,0,0,0,0|2,0,0]=4 4498 B13R1.3 C=C(F)CSc1ccc(cc1)NC 62a_100000042424_100000743151 [0,2,0,0,0,0|1,0,0]=3 4499 B13R1.3 C=C(F)CSc1ccc(cc1)NC 62a_100000743151_100000042424 [0,2,0,0,0,0|1,0,0]=3 4500 B13R1.3 C=C(F)CSc1ccc(cc1)NN 62a_100000042424_100016988836 [0,2,0,0,0,0|2,0,0]=4 4501 B13R1.3 C=C(F)CSc1ccc(cc1)NN 62a_100016988836_100000042424 [0,2,0,0,0,0|2,0,0]=4 4502 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,2,0,0,0,0|0,0,0]=2 4503 B13R1.3 C=C(F)CSc1ccc(cc1)SC 62a_100000042424_100011263217 [0,2,0,0,0,0|0,1,0]=3 4504 B13R1.3 C=C(F)CSc1ccc(cc1)SC 62a_100011263217_100000042424 [0,2,0,0,0,0|0,1,0]=3 4505 B13R1.3 C=C(F)CSc1ccc(cn1)CC 62a_100000042424_100009843584 [0,2,0,0,0,0|2,0,0]=4 4506 B13R1.3 C=C(F)CSc1ccc(cn1)CC 62a_100009843584_100000042424 [0,2,0,0,0,0|2,0,0]=4 4507 B13R1.3 C=C(F)CSc1ccc(cn1)NC 62a_100000042424_100000764248 [0,2,0,0,0,0|2,0,0]=4 4508 B13R1.3 C=C(F)CSc1ccc(cn1)NC 62a_100000764248_100000042424 [0,2,0,0,0,0|2,0,0]=4 4509 B13R1.3 C=C(F)CSc1ccc(cn1)OC 62a_100000042424_100000744180 [0,2,0,0,0,0|1,0,0]=3 4510 B13R1.3 C=C(F)CSc1ccc(cn1)OC 62a_100000755202_100000042424 [0,2,0,0,0,0|1,0,0]=3 4511 B13R1.3 C=C(F)CSc1ccc(cn1)SC 62a_100000042424_100009820866 [0,2,0,0,0,0|1,1,0]=4 4512 B13R1.3 C=C(F)CSc1ccc(cn1)SC 62a_100009820866_100000042424 [0,2,0,0,0,0|1,1,0]=4 4513 B13R1.3 C=C(F)CSc1ccc(nc1)CC 62a_100000042424_100009820025 [0,2,0,0,0,0|2,0,0]=4 4514 B13R1.3 C=C(F)CSc1ccc(nc1)CC 62a_100009820025_100000042424 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.3 C=C(F)CSc1ccc(nc1)NC 62a_100000042424_100000741341 [0,2,0,0,0,0|2,0,0]=4 4516 B13R1.3 C=C(F)CSc1ccc(nc1)NC 62a_100000741341_100000042424 [0,2,0,0,0,0|2,0,0]=4 4517 B13R1.3 C=C(F)CSc1ccc(nc1)OC 62a_100000042424_100000047065 [0,2,0,0,0,0|1,0,0]=3 4518 B13R1.3 C=C(F)CSc1ccc(nc1)OC 62a_100000047065_100000042424 [0,2,0,0,0,0|1,0,0]=3 4519 B13R1.3 C=C(F)CSc1ccc(nc1)SC 62a_100000042424_100011408404 [0,2,0,0,0,0|1,1,0]=4 4520 B13R1.3 C=C(F)CSc1ccc(nc1)SC 62a_100011408404_100000042424 [0,2,0,0,0,0|1,1,0]=4 4521 B13R1.3 C=C(F)CSc1ccc(nn1)OC 62a_100000042424_100009819040 [0,2,0,0,0,0|2,0,0]=4 4522 B13R1.3 C=C(F)CSc1ccc(nn1)OC 62a_100009819040_100000042424 [0,2,0,0,0,0|2,0,0]=4 4523 B13R1.3 C=C(F)CSc1cnc(cn1)OC 62a_100000042424_100011998698 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.3 C=C(F)CSc1cnc(cn1)OC 62a_100011998698_100000042424 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.3 C=C(F)CSc1cnc(nc1)OC 62a_100000042424_100000686852 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.3 C=C(F)CSc1cnc(nc1)OC 62a_100000686852_100000042424 [0,2,0,0,0,0|2,0,0]=4 4527 B13R1.3 C=C(F)CSc1ncc(cn1)OC 62a_100000042424_100000069167 [0,2,0,0,0,0|2,0,0]=4 4528 B13R1.3 C=C(F)CSc1ncc(cn1)OC 62a_100000069167_100000042424 [0,2,0,0,0,0|2,0,0]=4 4529 B13R1.3 C=Cc1ccc(cc1)NCC(=C)C 34a_100011218248_100000748629 [0,2,0,0,0,0|1,0,1]=4 4530 B13R1.3 C=Cc1ccc(cc1)NCC(=C)F 34a_100011218248_100009893438 [0,2,0,0,0,0|1,0,1]=4 4531 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 34a_100000189437_100000748629 [0,2,0,0,0,0|1,0,1]=4 4532 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 7a_100000189437_100000748629 [0,2,0,0,0,0|1,0,1]=4 4533 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F 34a_100000189437_100009893438 [0,2,0,0,0,0|1,0,1]=4 4534 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F 7a_100000189437_100000042424 [0,2,0,0,0,0|1,0,1]=4 4535 B13R1.3 C=Cc1ccc(cc1)SCC(=C)C 62a_100000748128_100000211660 [0,2,0,0,0,0|1,0,1]=4 4536 B13R1.3 C=Cc1ccc(cc1)SCC(=C)C 62a_100000748629_100000748128 [0,2,0,0,0,0|1,0,1]=4 4537 B13R1.3 C=Cc1ccc(cc1)SCC(=C)F 62a_100000042424_100000748128 [0,2,0,0,0,0|1,0,1]=4 4538 B13R1.3 C=Cc1ccc(cc1)SCC(=C)F 62a_100000748128_100000042424 [0,2,0,0,0,0|1,0,1]=4 4539 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,2,0,0,0,0|0,0,1]=3 4540 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,2,0,0,0,0|0,1,1]=4 4541 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,2,0,0,0,0|0,1,1]=4 4542 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,2,0,0,0,0|0,0,1]=3 4543 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,2,0,0,0,0|0,0,1]=3 4544 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,2,0,0,0,0|0,1,1]=4 4545 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,2,0,0,0,0|0,1,1]=4 4546 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,2,0,0,0,0|1,0,1]=4 4547 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,2,0,0,0,0|0,1,1]=4 4548 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,2,0,0,0,0|0,1,1]=4 4549 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,2,0,0,0,0|0,0,2]=4 4550 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,2,0,0,0,0|0,0,2]=4 4551 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,2,0,0,0,0|1,0,1]=4 4552 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,2,0,0,0,0|1,0,1]=4 4553 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,2,0,0,0,0|1,0,1]=4 4554 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,2,0,0,0,0|1,0,1]=4 4555 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,2,0,0,0,0|1,0,1]=4 4556 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,2,0,0,0,0|1,0,1]=4 4557 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,2,0,0,0,0|1,0,1]=4 4558 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,2,0,0,0,0|1,0,1]=4 4559 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,2,0,0,0,0|2,0,0]=4 4560 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,2,0,0,0,0|2,0,0]=4 4561 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,2,0,0,0,0|2,0,0]=4 4562 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,2,0,0,0,0|1,0,1]=4 4563 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,2,0,0,0,0|2,0,0]=4 4564 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,2,0,0,0,0|2,0,0]=4 4565 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,2,0,0,0,0|1,0,1]=4 4566 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,2,0,0,0,0|2,0,0]=4 4567 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,2,0,0,0,0|2,0,0]=4 4568 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,2,0,0,0,0|2,0,0]=4 4569 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,2,0,0,0,0|2,0,0]=4 4570 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,2,0,0,0,0|2,0,0]=4 4571 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,2,0,0,0,0|1,0,1]=4 4572 B13R1.3 CNc1ccc(cc1)CNC(=O)N 34a_100000747042_200000210301 [0,2,0,0,0,0|2,0,0]=4 4573 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,2,0,0,0,0|2,0,0]=4 4574 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,2,0,0,0,0|2,0,0]=4 4575 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,2,0,0,0,0|2,0,0]=4 4576 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,2,0,0,0,0|2,0,0]=4 4577 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,2,0,0,0,0|2,0,0]=4 4578 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,2,0,0,0,0|2,0,0]=4 4579 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,2,0,0,0,0|2,0,0]=4 4580 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,2,0,0,0,0|2,0,0]=4 4581 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,2,0,0,0,0|0,0,1]=3 4582 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,2,0,0,0,0|1,0,1]=4 4583 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,2,0,0,0,0|0,0,2]=4 4584 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,2,0,0,0,0|0,0,2]=4 4585 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,2,0,0,0,0|0,0,1]=3 4586 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,2,0,0,0,0|0,0,1]=3 4587 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,2,0,0,0,0|0,0,2]=4 4588 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,2,0,0,0,0|0,0,2]=4 4589 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,2,0,0,0,0|0,0,1]=3 4590 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,2,0,0,0,0|0,0,1]=3 4591 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,2,0,0,0,0|0,0,1]=3 4592 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,2,0,0,0,0|0,0,1]=3 4593 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,2,0,0,0,0|0,0,1]=3 4594 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,2,0,0,0,0|0,0,2]=4 4595 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,2,0,0,0,0|0,0,2]=4 4596 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100000225672_200000210301 [0,2,0,0,0,0|0,0,2]=4 4597 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713689 [0,2,0,0,0,0|0,0,2]=4 4598 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100000225672_200000210301 [0,2,0,0,0,0|0,0,2]=4 4599 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100102631434_100000184700 [0,2,0,0,0,0|0,0,2]=4 4600 B13R1.3 COc1ccc(cc1)CCN(C)C 270004a_100102631434_100011242372 [0,2,0,0,0,0|0,0,2]=4 4601 B13R1.3 COc1ccc(cc1)CCN(C)C 34a_100000225672_200000210301 [0,2,0,0,0,0|0,0,2]=4 4602 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 2230a_100000225672_200025704644 [0,2,0,0,0,0|0,0,2]=4 4603 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 269982a_100000225672_200025704644 [0,2,0,0,0,0|0,0,2]=4 4604 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 34a_100000225672_200025704644 [0,2,0,0,0,0|0,0,2]=4 4605 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,2,0,0,0,0|0,0,1]=3 4606 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,2,0,0,0,0|0,0,1]=3 4607 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,2,0,0,0,0|0,0,1]=3 4608 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,2,0,0,0,0|0,0,1]=3 4609 B13R1.3 COc1ccc(cc1)CNC(C)C 207a_100138425928_100000169835 [0,2,0,0,0,0|0,0,2]=4 4610 B13R1.3 COc1ccc(cc1)CNC(C)C 2230a_100138425928_100000742318 [0,2,0,0,0,0|0,0,2]=4 4611 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100000185587_100000210206 [0,2,0,0,0,0|0,0,2]=4 4612 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100138425928_100000742318 [0,2,0,0,0,0|0,0,2]=4 4613 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000173359_100000210206 [0,2,0,0,0,0|0,0,2]=4 4614 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000212225_100000742318 [0,2,0,0,0,0|0,0,2]=4 4615 B13R1.3 COc1ccc(cc1)CSC(C)C 62a_100000210206_100000742318 [0,2,0,0,0,0|0,0,2]=4 4616 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,2,0,0,0,0|1,0,0]=3 4617 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,2,0,0,0,0|1,0,0]=3 4618 B13R1.3 COc1ccc(cc1)NCC(C)C 34a_100000184247_100000210624 [0,2,0,0,0,0|0,0,2]=4 4619 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,2,0,0,0,0|0,0,2]=4 4620 B13R1.3 COc1ccc(cc1)NCC(F)F 34a_100000184247_100011934356 [0,2,0,0,0,0|1,0,1]=4 4621 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,2,0,0,0,0|0,0,2]=4 4622 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,2,0,0,0,0|2,0,0]=4 4623 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,2,0,0,0,0|1,0,1]=4 4624 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,2,0,0,0,0|0,0,1]=3 4625 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,2,0,0,0,0|1,0,0]=3 4626 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,2,0,0,0,0|0,0,1]=3 4627 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,2,0,0,0,0|1,0,0]=3 4628 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,2,0,0,0,0|0,0,2]=4 4629 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,2,0,0,0,0|0,0,2]=4 4630 B13R1.3 COc1ccc(cc1)OCC(F)F 34a_100000210503_100011934356 [0,2,0,0,0,0|1,0,1]=4 4631 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,2,0,0,0,0|0,0,2]=4 4632 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,2,0,0,0,0|2,0,0]=4 4633 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,2,0,0,0,0|0,0,1]=3 4634 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,2,0,0,0,0|1,0,0]=3 4635 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,2,0,0,0,0|0,0,1]=3 4636 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,2,0,0,0,0|1,0,0]=3 4637 B13R1.3 COc1ccc(cc1)SCC(C)C 62a_100000210624_100000171711 [0,2,0,0,0,0|0,0,2]=4 4638 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,2,0,0,0,0|0,0,2]=4 4639 B13R1.3 COc1ccc(cc1)SCC(F)F 62a_100011934356_100000171711 [0,2,0,0,0,0|1,0,1]=4 4640 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,2,0,0,0,0|0,0,2]=4 4641 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,2,0,0,0,0|1,0,1]=4 4642 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,2,0,0,0,0|1,0,1]=4 4643 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,2,0,0,0,0|1,0,1]=4 4644 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,2,0,0,0,0|1,0,1]=4 4645 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,2,0,0,0,0|2,0,0]=4 4646 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,2,0,0,0,0|2,0,0]=4 4647 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000047065_100000747473 [0,2,0,0,0,0|2,0,0]=4 4648 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000747473_100000047065 [0,2,0,0,0,0|2,0,0]=4 4649 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100000047065_100020667443 [0,2,0,0,0,0|2,0,0]=4 4650 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000047065 [0,2,0,0,0,0|2,0,0]=4 4651 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,2,0,0,0,0|1,0,1]=4 4652 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,2,0,0,0,0|1,0,1]=4 4653 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,2,0,0,0,0|1,0,1]=4 4654 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,2,0,0,0,0|1,0,1]=4 4655 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,2,0,0,0,0|2,0,0]=4 4656 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,2,0,0,0,0|2,0,0]=4 4657 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000747473_100000744180 [0,2,0,0,0,0|2,0,0]=4 4658 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000755202_100000747473 [0,2,0,0,0,0|2,0,0]=4 4659 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100000755202_100020667443 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000744180 [0,2,0,0,0,0|2,0,0]=4 4661 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,2,0,0,0,0|0,1,1]=4 4662 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,2,0,0,0,0|0,1,1]=4 4663 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,2,0,0,0,0|0,1,1]=4 4664 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,2,0,0,0,0|0,1,1]=4 4665 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,2,0,0,0,0|0,1,1]=4 4666 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,2,0,0,0,0|0,1,1]=4 4667 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,2,0,0,0,0|0,1,1]=4 4668 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,2,0,0,0,0|0,1,1]=4 4669 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,2,0,0,0,0|0,1,1]=4 4670 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,2,0,0,0,0|0,1,1]=4 4671 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,2,0,0,0,0|0,1,1]=4 4672 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,2,0,0,0,0|0,1,1]=4 4673 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,2,0,0,0,0|0,1,1]=4 4674 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,2,0,0,0,0|0,1,1]=4 4675 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,2,0,0,0,0|0,1,1]=4 4676 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,2,0,0,0,0|1,1,0]=4 4677 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,2,0,0,0,0|1,1,0]=4 4678 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,2,0,0,0,0|1,1,0]=4 4679 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,2,0,0,0,0|1,1,0]=4 4680 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,2,0,0,0,0|1,1,0]=4 4681 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,2,0,0,0,0|1,1,0]=4 4682 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,2,0,0,0,0|1,1,0]=4 4683 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,2,0,0,0,0|1,1,0]=4 4684 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,2,0,0,0,0|1,1,0]=4 4685 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,2,0,0,0,0|1,1,0]=4 4686 B13R1.3 [13CH3]Nc1ccc(cc1)CNC(=O)N 34a_100000747042_200025704644 [0,2,0,0,0,0|2,0,0]=4 4687 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,2,0,0,0,0|2,0,0]=4 4689 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,2,0,0,0,0|1,0,1]=4 4690 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,2,0,0,0,0|0,1,1]=4 4691 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,2,0,0,0,0|0,1,1]=4 4692 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,2,0,0,0,0|1,1,0]=4 4693 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,2,0,0,0,0|1,1,0]=4 4694 B13R1.74 C=C(C)c1ccc(cc1)CCC=O 271570a_100000694244_100011361538 [0,2,0,0,0,0|1,0,1]=4 4695 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 34a_100009880102_200009817547 [0,2,0,0,0,0|2,0,0]=4 4696 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 7a_100009880102_200015260668 [0,2,0,0,0,0|2,0,0]=4 4697 B13R1.74 C=C(C)c1ccc(cc1)SCC=O 62a_100000185454_200015260668 [0,2,0,0,0,0|2,0,0]=4 4698 B13R1.74 C=C(C)c1ccc(cc1)SCC=O 62a_200015260668_100000185454 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 27a_100020586998_100000162191 [0,2,0,0,0,0|2,0,0]=4 4700 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 34a_100000210537_100015514636 [0,2,0,0,0,0|2,0,0]=4 4701 B13R1.74 C=CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210623 [0,2,0,0,0,0|1,0,0]=3 4702 B13R1.74 C=CCNc1ccc(cc1)C(C)C 34a_100000210773_100015514636 [0,2,0,0,0,0|1,0,0]=3 4703 B13R1.74 C=CCNc1ccc(cc1)C(C)C 7a_100000210773_100015514636 [0,2,0,0,0,0|1,0,0]=3 4704 B13R1.74 C=CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210623 [0,2,0,0,0,0|1,0,0]=3 4705 B13R1.74 C=CCNc1ccc(cc1)C(C)O 34a_100011216399_100015514636 [0,2,0,0,0,0|1,0,0]=3 4706 B13R1.74 C=CCNc1ccc(cc1)C(F)F 34a_100020620101_100015514636 [0,2,0,0,0,0|2,0,0]=4 4707 B13R1.74 C=CCNc1ccc(cc1)C(F)F 7a_100020620101_100015514636 [0,2,0,0,0,0|2,0,0]=4 4708 B13R1.74 C=CCNc1ccc(cc1)N(C)C 34a_100016997997_100015514636 [0,2,0,0,0,0|1,0,0]=3 4709 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210623 [0,2,0,0,0,0|2,0,0]=4 4710 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100015514636 [0,2,0,0,0,0|2,0,0]=4 4711 B13R1.74 C=CCNc1ccc(cn1)C(=O)C 27a_100020586998_100000690552 [0,2,0,0,0,0|2,0,0]=4 4712 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 271570a_100000694244_100000172055 [0,2,0,0,0,0|1,0,0]=3 4713 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 34a_100009880102_100015514636 [0,2,0,0,0,0|1,0,0]=3 4714 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 7a_100009880102_100015514636 [0,2,0,0,0,0|1,0,0]=3 4715 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 1458a_100000216320_200000210301 [0,2,0,0,0,0|1,0,0]=3 4716 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100015514636 [0,2,0,0,0,0|1,0,0]=3 4717 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100015514636 [0,2,0,0,0,0|1,0,0]=3 4718 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 34a_100000746352_100015514636 [0,2,0,0,0,0|2,0,0]=4 4719 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 7a_100000746352_100015514636 [0,2,0,0,0,0|2,0,0]=4 4720 B13R1.74 C=CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000216320_200025704644 [0,2,0,0,0,0|1,0,0]=3 4721 B13R1.74 C=CCOc1ccc(cc1)C(C)C 34a_100000181308_100015514636 [0,2,0,0,0,0|1,0,0]=3 4722 B13R1.74 C=CCOc1ccc(cc1)C(C)C 7a_100000181308_100015514636 [0,2,0,0,0,0|1,0,0]=3 4723 B13R1.74 C=CCOc1ccc(cc1)C(C)O 34a_100000754508_100015514636 [0,2,0,0,0,0|1,0,0]=3 4724 B13R1.74 C=CCOc1ccc(cc1)C(C)O 7a_100000754508_100015514636 [0,2,0,0,0,0|1,0,0]=3 4725 B13R1.74 C=CCOc1ccc(cc1)N(C)C 34a_100000718910_100015514636 [0,2,0,0,0,0|1,0,0]=3 4726 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 34a_200000064373_100015514636 [0,2,0,0,0,0|0,1,0]=3 4727 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 7a_200000064373_100015514636 [0,2,0,0,0,0|0,1,0]=3 4728 B13R1.74 C=CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100015514636 [0,2,0,0,0,0|1,0,0]=3 4729 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015514636 [0,2,0,0,0,0|2,0,0]=4 4730 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015514636 [0,2,0,0,0,0|2,0,0]=4 4731 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100015514636 [0,2,0,0,0,0|0,1,0]=3 4732 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100015514636 [0,2,0,0,0,0|0,1,0]=3 4733 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 34a_100012001710_100015514636 [0,2,0,0,0,0|2,0,0]=4 4734 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 7a_100012001710_100015514636 [0,2,0,0,0,0|2,0,0]=4 4735 B13R1.74 C=CCSc1ccc(cc1)B(O)O 62a_100000210623_100000754493 [0,2,0,0,0,0|2,0,0]=4 4736 B13R1.74 C=CCSc1ccc(cc1)B(O)O 62a_100000754493_100000210623 [0,2,0,0,0,0|2,0,0]=4 4737 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000185454_100000210623 [0,2,0,0,0,0|1,0,0]=3 4738 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000210623_100000185454 [0,2,0,0,0,0|1,0,0]=3 4739 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210623 [0,2,0,0,0,0|1,0,0]=3 4740 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000210623_100000185465 [0,2,0,0,0,0|1,0,0]=3 4741 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210623 [0,2,0,0,0,0|2,0,0]=4 4742 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000210623_100000162191 [0,2,0,0,0,0|2,0,0]=4 4743 B13R1.74 C=CCSc1ccc(cc1)C(C)C 62a_100000210623_100000750031 [0,2,0,0,0,0|1,0,0]=3 4744 B13R1.74 C=CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210623 [0,2,0,0,0,0|1,0,0]=3 4745 B13R1.74 C=CCSc1ccc(cc1)C(C)O 62a_100000210623_100000745893 [0,2,0,0,0,0|1,0,0]=3 4746 B13R1.74 C=CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210623 [0,2,0,0,0,0|1,0,0]=3 4747 B13R1.74 C=CCSc1ccc(cc1)C(F)F 62a_100000210623_100000687661 [0,2,0,0,0,0|2,0,0]=4 4748 B13R1.74 C=CCSc1ccc(cc1)C(F)F 62a_100000687661_100000210623 [0,2,0,0,0,0|2,0,0]=4 4749 B13R1.74 C=CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210623 [0,2,0,0,0,0|1,0,0]=3 4750 B13R1.74 C=CCSc1ccc(cc1)N(C)C 62a_100000210623_100000210421 [0,2,0,0,0,0|1,0,0]=3 4751 B13R1.74 C=CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210623 [0,2,0,0,0,0|0,1,0]=3 4752 B13R1.74 C=CCSc1ccc(cc1)[C@@H](C)N 62a_100000210623_100000720352 [0,2,0,0,0,0|1,0,0]=3 4753 B13R1.74 C=CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210623 [0,2,0,0,0,0|1,0,0]=3 4754 B13R1.74 C=CCSc1ccc(cc1)[C@H](C)N 62a_100000210623_100000753911 [0,2,0,0,0,0|1,0,0]=3 4755 B13R1.74 C=CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210623 [0,2,0,0,0,0|1,0,0]=3 4756 B13R1.74 C=CCSc1ccc(cn1)C(=O)C 62a_100000210623_100000684857 [0,2,0,0,0,0|2,0,0]=4 4757 B13R1.74 C=CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210623 [0,2,0,0,0,0|2,0,0]=4 4758 B13R1.74 C=CCSc1ccc(cn1)C(C)C 62a_100000210623_200009815286 [0,2,0,0,0,0|2,0,0]=4 4759 B13R1.74 C=CCSc1ccc(cn1)C(C)C 62a_200009815286_100000210623 [0,2,0,0,0,0|2,0,0]=4 4760 B13R1.74 C=CCSc1ccc(cn1)C(C)O 62a_100000210623_200010274204 [0,2,0,0,0,0|2,0,0]=4 4761 B13R1.74 C=CCSc1ccc(cn1)C(C)O 62a_200010274204_100000210623 [0,2,0,0,0,0|2,0,0]=4 4762 B13R1.74 C=CCSc1ccc(cn1)N(C)C 62a_100000210623_100009992925 [0,2,0,0,0,0|2,0,0]=4 4763 B13R1.74 C=CCSc1ccc(cn1)N(C)C 62a_100009992925_100000210623 [0,2,0,0,0,0|2,0,0]=4 4764 B13R1.74 C=CCSc1ccc(cn1)[C@H](C)N 62a_100000210623_100015387476 [0,2,0,0,0,0|2,0,0]=4 4765 B13R1.74 C=CCSc1ccc(cn1)[C@H](C)N 62a_100015387476_100000210623 [0,2,0,0,0,0|2,0,0]=4 4766 B13R1.74 C=CCSc1ccc(nc1)C(=O)C 62a_100000210623_100000686046 [0,2,0,0,0,0|2,0,0]=4 4767 B13R1.74 C=CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210623 [0,2,0,0,0,0|2,0,0]=4 4768 B13R1.74 C=CCSc1ccc(nc1)C(C)C 62a_100000210623_100010255768 [0,2,0,0,0,0|2,0,0]=4 4769 B13R1.74 C=CCSc1ccc(nc1)C(C)C 62a_100010255768_100000210623 [0,2,0,0,0,0|2,0,0]=4 4770 B13R1.74 C=CCSc1ccc(nc1)C(C)N 62a_100000210623_100000723930 [0,2,0,0,0,0|2,0,0]=4 4771 B13R1.74 C=CCSc1ccc(nc1)C(C)N 62a_100000723930_100000210623 [0,2,0,0,0,0|2,0,0]=4 4772 B13R1.74 C=CCSc1ccc(nc1)C(C)O 62a_100000210623_100012353650 [0,2,0,0,0,0|2,0,0]=4 4773 B13R1.74 C=CCSc1ccc(nc1)C(C)O 62a_100012353650_100000210623 [0,2,0,0,0,0|2,0,0]=4 4774 B13R1.74 C=CCSc1ccc(nc1)N(C)C 62a_100000210623_100011465347 [0,2,0,0,0,0|2,0,0]=4 4775 B13R1.74 C=CCSc1ccc(nc1)N(C)C 62a_100011465347_100000210623 [0,2,0,0,0,0|2,0,0]=4 4776 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,2,0,0,0,0|2,0,0]=4 4777 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,2,0,0,0,0|2,0,0]=4 4778 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_100000185465_200015260668 [0,2,0,0,0,0|2,0,0]=4 4779 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000185465 [0,2,0,0,0,0|2,0,0]=4 4780 B13R1.74 CC(C)c1ccc(cc1)NCC=O 2230a_100000210773_200015260668 [0,2,0,0,0,0|2,0,0]=4 4781 B13R1.74 CC(C)c1ccc(cc1)NCC=O 34a_100000210773_200009817547 [0,2,0,0,0,0|2,0,0]=4 4782 B13R1.74 CC(C)c1ccc(cc1)NCC=O 7a_100000210773_200015260668 [0,2,0,0,0,0|2,0,0]=4 4783 B13R1.74 CC(C)c1ccc(cc1)OCC=O 34a_100000181308_200009817547 [0,2,0,0,0,0|2,0,0]=4 4784 B13R1.74 CC(C)c1ccc(cc1)OCC=O 7a_100000181308_200015260668 [0,2,0,0,0,0|2,0,0]=4 4785 B13R1.74 CC(C)c1ccc(cc1)SCC=O 62a_100000750031_200015260668 [0,2,0,0,0,0|2,0,0]=4 4786 B13R1.74 CC(C)c1ccc(cc1)SCC=O 62a_200015260668_100000750031 [0,2,0,0,0,0|2,0,0]=4 4787 B13R1.74 CC(O)c1ccc(cc1)NCC=O 2230a_100011216399_200015260668 [0,2,0,0,0,0|2,0,0]=4 4788 B13R1.74 CC(O)c1ccc(cc1)NCC=O 34a_100011216399_200009817547 [0,2,0,0,0,0|2,0,0]=4 4789 B13R1.74 CC(O)c1ccc(cc1)OCC=O 34a_100000754508_200009817547 [0,2,0,0,0,0|2,0,0]=4 4790 B13R1.74 CC(O)c1ccc(cc1)OCC=O 7a_100000754508_200015260668 [0,2,0,0,0,0|2,0,0]=4 4791 B13R1.74 CC(O)c1ccc(cc1)SCC=O 62a_100000745893_200015260668 [0,2,0,0,0,0|2,0,0]=4 4792 B13R1.74 CC(O)c1ccc(cc1)SCC=O 62a_200015260668_100000745893 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.74 CN(C)c1ccc(cc1)NCC=O 34a_100016997997_200009817547 [0,2,0,0,0,0|2,0,0]=4 4794 B13R1.74 CN(C)c1ccc(cc1)OCC=O 34a_100000718910_200009817547 [0,2,0,0,0,0|2,0,0]=4 4795 B13R1.74 CN(C)c1ccc(cc1)SCC=O 62a_100000210421_200015260668 [0,2,0,0,0,0|2,0,0]=4 4796 B13R1.74 CN(C)c1ccc(cc1)SCC=O 62a_200015260668_100000210421 [0,2,0,0,0,0|2,0,0]=4 4797 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 34a_200000064373_200009817547 [0,2,0,0,0,0|1,1,0]=4 4798 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 7a_200000064373_200015260668 [0,2,0,0,0,0|1,1,0]=4 4799 B13R1.74 CS(=O)c1ccc(cc1)SCC=O 62a_100009816266_200015260668 [0,2,0,0,0,0|1,1,0]=4 4800 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC=O 62a_100000720352_200015260668 [0,2,0,0,0,0|2,0,0]=4 4801 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC=O 62a_200015260668_100000720352 [0,2,0,0,0,0|2,0,0]=4 4802 B13R1.74 C[C@H](N)c1ccc(cc1)OCC=O 34a_100161106496_200009817547 [0,2,0,0,0,0|2,0,0]=4 4803 B13R1.74 C[C@H](N)c1ccc(cc1)SCC=O 62a_100000753911_200015260668 [0,2,0,0,0,0|2,0,0]=4 4804 B13R1.74 C[C@H](N)c1ccc(cc1)SCC=O 62a_200015260668_100000753911 [0,2,0,0,0,0|2,0,0]=4 4805 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 34a_100010188728_200009817547 [0,2,0,0,0,0|1,1,0]=4 4806 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 7a_100010188728_200015260668 [0,2,0,0,0,0|1,1,0]=4 4807 B13R1.75 C#CCNc1ccc(cc1Br)OC 34a_100015195136_100000184674 [0,2,0,0,0,0|0,0,2]=4 4808 B13R1.75 C#CCNc1ccc(cc1C)OC 34a_100000750285_100000184674 [0,2,0,0,0,0|0,0,2]=4 4809 B13R1.75 C#CCNc1ccc(cc1Cl)OC 34a_100000747055_100000184674 [0,2,0,0,0,0|0,0,2]=4 4810 B13R1.75 C#CCNc1ccc(cc1F)OC 34a_100011299463_100000184674 [0,2,0,0,0,0|0,0,2]=4 4811 B13R1.75 C#CCNc1ccc(cc1I)OC 34a_100000049804_100000184674 [0,2,0,0,0,0|0,0,2]=4 4812 B13R1.75 C#CCNc1ccc(cc1O)OC 34a_100016989039_100000184674 [0,2,0,0,0,0|0,0,2]=4 4813 B13R1.75 C#CCOc1ccc(cc1Br)OC 34a_100000685887_100000184674 [0,2,0,0,0,0|0,0,2]=4 4814 B13R1.75 C#CCOc1ccc(cc1Br)OC 7a_100000685887_100000038162 [0,2,0,0,0,0|0,0,2]=4 4815 B13R1.75 C#CCOc1ccc(cc1C)OC 34a_100012002223_100000184674 [0,2,0,0,0,0|0,0,2]=4 4816 B13R1.75 C#CCOc1ccc(cc1C)OC 7a_100012002223_100000038162 [0,2,0,0,0,0|0,0,2]=4 4817 B13R1.75 C#CCOc1ccc(cc1Cl)OC 34a_100000038596_100000184674 [0,2,0,0,0,0|0,0,2]=4 4818 B13R1.75 C#CCOc1ccc(cc1Cl)OC 7a_100000038596_100000038162 [0,2,0,0,0,0|0,0,2]=4 4819 B13R1.75 C#CCOc1ccc(cc1F)OC 34a_100000036999_100000184674 [0,2,0,0,0,0|0,0,2]=4 4820 B13R1.75 C#CCOc1ccc(cc1F)OC 7a_100000036999_100000038162 [0,2,0,0,0,0|0,0,2]=4 4821 B13R1.75 C#CCOc1ccc(cc1N)OC 34a_100000188146_100000184674 [0,2,0,0,0,0|0,0,2]=4 4822 B13R1.75 C#CCSc1ccc(cc1Br)OC 62a_100000038162_100012349170 [0,2,0,0,0,0|0,0,2]=4 4823 B13R1.75 C#CCSc1ccc(cc1C)OC 62a_100000038162_100000759875 [0,2,0,0,0,0|0,0,2]=4 4824 B13R1.75 C#CCSc1ccc(cc1F)OC 62a_100000038162_100000753793 [0,2,0,0,0,0|0,0,2]=4 4825 B13R1.75 C#CCSc1ccc(cc1N)OC 62a_100000038162_100000748021 [0,2,0,0,0,0|0,0,2]=4 4826 B13R1.75 C#CCSc1ccc(cc1O)OC 62a_100000038162_100000719091 [0,2,0,0,0,0|0,0,2]=4 4827 B13R1.75 C=CCNc1ccc(cc1Br)C#N 34a_100000736769_100015514636 [0,2,0,0,0,0|2,0,0]=4 4828 B13R1.75 C=CCNc1ccc(cc1Br)C#N 7a_100000736769_100015514636 [0,2,0,0,0,0|2,0,0]=4 4829 B13R1.75 C=CCNc1ccc(cc1Br)CC 2230a_100012339725_100000210623 [0,2,0,0,0,0|1,0,0]=3 4830 B13R1.75 C=CCNc1ccc(cc1Br)CC 34a_100012339725_100015514636 [0,2,0,0,0,0|1,0,0]=3 4831 B13R1.75 C=CCNc1ccc(cc1Br)OC 34a_100015195136_100015514636 [0,2,0,0,0,0|0,0,0]=2 4832 B13R1.75 C=CCNc1ccc(cc1C)C#N 34a_100011216260_100015514636 [0,2,0,0,0,0|2,0,0]=4 4833 B13R1.75 C=CCNc1ccc(cc1C)C#N 7a_100011216260_100015514636 [0,2,0,0,0,0|2,0,0]=4 4834 B13R1.75 C=CCNc1ccc(cc1C)CC 2230a_100011226020_100000210623 [0,2,0,0,0,0|1,0,0]=3 4835 B13R1.75 C=CCNc1ccc(cc1C)CC 34a_100011226020_100015514636 [0,2,0,0,0,0|1,0,0]=3 4836 B13R1.75 C=CCNc1ccc(cc1C)CC 7a_100011226020_100015514636 [0,2,0,0,0,0|1,0,0]=3 4837 B13R1.75 C=CCNc1ccc(cc1C)CO 2230a_200011997030_100000210623 [0,2,0,0,0,0|2,0,0]=4 4838 B13R1.75 C=CCNc1ccc(cc1C)CO 34a_200011997030_100015514636 [0,2,0,0,0,0|2,0,0]=4 4839 B13R1.75 C=CCNc1ccc(cc1C)OC 34a_100000750285_100015514636 [0,2,0,0,0,0|0,0,0]=2 4840 B13R1.75 C=CCNc1ccc(cc1Cl)C#N 34a_100000690208_100015514636 [0,2,0,0,0,0|2,0,0]=4 4841 B13R1.75 C=CCNc1ccc(cc1Cl)C#N 7a_100000690208_100015514636 [0,2,0,0,0,0|2,0,0]=4 4842 B13R1.75 C=CCNc1ccc(cc1Cl)OC 34a_100000747055_100015514636 [0,2,0,0,0,0|0,0,0]=2 4843 B13R1.75 C=CCNc1ccc(cc1F)C#N 34a_100000760432_100015514636 [0,2,0,0,0,0|2,0,0]=4 4844 B13R1.75 C=CCNc1ccc(cc1F)C#N 7a_100000760432_100015514636 [0,2,0,0,0,0|2,0,0]=4 4845 B13R1.75 C=CCNc1ccc(cc1F)CC 2230a_100016177294_100000210623 [0,2,0,0,0,0|1,0,0]=3 4846 B13R1.75 C=CCNc1ccc(cc1F)CC 34a_100016177294_100015514636 [0,2,0,0,0,0|1,0,0]=3 4847 B13R1.75 C=CCNc1ccc(cc1F)CO 2230a_100011217239_100000210623 [0,2,0,0,0,0|2,0,0]=4 4848 B13R1.75 C=CCNc1ccc(cc1F)CO 34a_100011217239_100015514636 [0,2,0,0,0,0|2,0,0]=4 4849 B13R1.75 C=CCNc1ccc(cc1F)OC 34a_100011299463_100015514636 [0,2,0,0,0,0|0,0,0]=2 4850 B13R1.75 C=CCNc1ccc(cc1F)SC 34a_100012056844_100015514636 [0,2,0,0,0,0|0,1,0]=3 4851 B13R1.75 C=CCNc1ccc(cc1I)C#N 7a_100000067503_100015514636 [0,2,0,0,0,0|2,0,0]=4 4852 B13R1.75 C=CCNc1ccc(cc1I)OC 34a_100000049804_100015514636 [0,2,0,0,0,0|0,0,0]=2 4853 B13R1.75 C=CCNc1ccc(cc1O)C#N 34a_100011997735_100015514636 [0,2,0,0,0,0|2,0,0]=4 4854 B13R1.75 C=CCNc1ccc(cc1O)CC 34a_100000124328_100015514636 [0,2,0,0,0,0|1,0,0]=3 4855 B13R1.75 C=CCNc1ccc(cc1O)OC 34a_100016989039_100015514636 [0,2,0,0,0,0|0,0,0]=2 4856 B13R1.75 C=CCNc1ncc(cc1C)SC 27a_100020586998_203440288091 [0,2,0,0,0,0|1,1,0]=4 4857 B13R1.75 C=CCOc1ccc(cc1Br)C#N 34a_100011216086_100015514636 [0,2,0,0,0,0|2,0,0]=4 4858 B13R1.75 C=CCOc1ccc(cc1Br)C#N 7a_100011216086_100015514636 [0,2,0,0,0,0|2,0,0]=4 4859 B13R1.75 C=CCOc1ccc(cc1Br)CC 34a_100012339963_100015514636 [0,2,0,0,0,0|1,0,0]=3 4860 B13R1.75 C=CCOc1ccc(cc1Br)CC 7a_100012339963_100015514636 [0,2,0,0,0,0|1,0,0]=3 4861 B13R1.75 C=CCOc1ccc(cc1Br)CO 34a_100011191544_100015514636 [0,2,0,0,0,0|2,0,0]=4 4862 B13R1.75 C=CCOc1ccc(cc1Br)CO 7a_100011191544_100015514636 [0,2,0,0,0,0|2,0,0]=4 4863 B13R1.75 C=CCOc1ccc(cc1Br)OC 34a_100000685887_100015514636 [0,2,0,0,0,0|0,0,0]=2 4864 B13R1.75 C=CCOc1ccc(cc1Br)OC 7a_100000685887_100015514636 [0,2,0,0,0,0|0,0,0]=2 4865 B13R1.75 C=CCOc1ccc(cc1C)C#N 34a_100000749339_100015514636 [0,2,0,0,0,0|2,0,0]=4 4866 B13R1.75 C=CCOc1ccc(cc1C)C#N 7a_100000749339_100015514636 [0,2,0,0,0,0|2,0,0]=4 4867 B13R1.75 C=CCOc1ccc(cc1C)CO 34a_100000075815_100015514636 [0,2,0,0,0,0|2,0,0]=4 4868 B13R1.75 C=CCOc1ccc(cc1C)CO 7a_100000075815_100015514636 [0,2,0,0,0,0|2,0,0]=4 4869 B13R1.75 C=CCOc1ccc(cc1C)OC 34a_100012002223_100015514636 [0,2,0,0,0,0|0,0,0]=2 4870 B13R1.75 C=CCOc1ccc(cc1C)OC 7a_100012002223_100015514636 [0,2,0,0,0,0|0,0,0]=2 4871 B13R1.75 C=CCOc1ccc(cc1Cl)C#N 34a_100000205955_100015514636 [0,2,0,0,0,0|2,0,0]=4 4872 B13R1.75 C=CCOc1ccc(cc1Cl)C#N 7a_100000205955_100015514636 [0,2,0,0,0,0|2,0,0]=4 4873 B13R1.75 C=CCOc1ccc(cc1Cl)OC 34a_100000038596_100015514636 [0,2,0,0,0,0|0,0,0]=2 4874 B13R1.75 C=CCOc1ccc(cc1Cl)OC 7a_100000038596_100015514636 [0,2,0,0,0,0|0,0,0]=2 4875 B13R1.75 C=CCOc1ccc(cc1F)C#N 34a_100000751310_100015514636 [0,2,0,0,0,0|2,0,0]=4 4876 B13R1.75 C=CCOc1ccc(cc1F)C#N 7a_100000751310_100015514636 [0,2,0,0,0,0|2,0,0]=4 4877 B13R1.75 C=CCOc1ccc(cc1F)CN 34a_100000758358_100015514636 [0,2,0,0,0,0|2,0,0]=4 4878 B13R1.75 C=CCOc1ccc(cc1F)OC 34a_100000036999_100015514636 [0,2,0,0,0,0|0,0,0]=2 4879 B13R1.75 C=CCOc1ccc(cc1F)OC 7a_100000036999_100015514636 [0,2,0,0,0,0|0,0,0]=2 4880 B13R1.75 C=CCOc1ccc(cc1I)C#N 34a_100000725478_100015514636 [0,2,0,0,0,0|2,0,0]=4 4881 B13R1.75 C=CCOc1ccc(cc1I)C#N 7a_100000725478_100015514636 [0,2,0,0,0,0|2,0,0]=4 4882 B13R1.75 C=CCOc1ccc(cc1N)C#N 34a_100000766272_100015514636 [0,2,0,0,0,0|2,0,0]=4 4883 B13R1.75 C=CCOc1ccc(cc1N)C#N 7a_100000766272_100015514636 [0,2,0,0,0,0|2,0,0]=4 4884 B13R1.75 C=CCOc1ccc(cc1N)CC 34a_100000765835_100015514636 [0,2,0,0,0,0|1,0,0]=3 4885 B13R1.75 C=CCOc1ccc(cc1N)CC 7a_100000765835_100015514636 [0,2,0,0,0,0|1,0,0]=3 4886 B13R1.75 C=CCOc1ccc(cc1N)CO 34a_100000123545_100015514636 [0,2,0,0,0,0|2,0,0]=4 4887 B13R1.75 C=CCOc1ccc(cc1N)OC 34a_100000188146_100015514636 [0,2,0,0,0,0|0,0,0]=2 4888 B13R1.75 C=CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173511 [0,2,0,0,0,0|2,0,0]=4 4889 B13R1.75 C=CCOc1ccc(nc1C)OC 34a_200009873766_100015514636 [0,2,0,0,0,0|1,0,0]=3 4890 B13R1.75 C=CCSc1ccc(cc1Br)C#N 62a_100000210623_100012356348 [0,2,0,0,0,0|2,0,0]=4 4891 B13R1.75 C=CCSc1ccc(cc1Br)CC 62a_100000210623_200009997437 [0,2,0,0,0,0|1,0,0]=3 4892 B13R1.75 C=CCSc1ccc(cc1Br)CC 62a_200009997437_100000210623 [0,2,0,0,0,0|1,0,0]=3 4893 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100000210623_100012349170 [0,2,0,0,0,0|0,0,0]=2 4894 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100012349170_100000210623 [0,2,0,0,0,0|0,0,0]=2 4895 B13R1.75 C=CCSc1ccc(cc1C)C#N 62a_100000210623_100000212329 [0,2,0,0,0,0|2,0,0]=4 4896 B13R1.75 C=CCSc1ccc(cc1C)C=O 62a_100000210623_100000765772 [0,2,0,0,0,0|2,0,0]=4 4897 B13R1.75 C=CCSc1ccc(cc1C)C=O 62a_100000765772_100000210623 [0,2,0,0,0,0|2,0,0]=4 4898 B13R1.75 C=CCSc1ccc(cc1C)CN 62a_100000210623_100015205234 [0,2,0,0,0,0|2,0,0]=4 4899 B13R1.75 C=CCSc1ccc(cc1C)CN 62a_100015205234_100000210623 [0,2,0,0,0,0|2,0,0]=4 4900 B13R1.75 C=CCSc1ccc(cc1C)CO 62a_100000210623_100000718852 [0,2,0,0,0,0|2,0,0]=4 4901 B13R1.75 C=CCSc1ccc(cc1C)CO 62a_100000718852_100000210623 [0,2,0,0,0,0|2,0,0]=4 4902 B13R1.75 C=CCSc1ccc(cc1C)NC 62a_100000210623_100102888905 [0,2,0,0,0,0|1,0,0]=3 4903 B13R1.75 C=CCSc1ccc(cc1C)NC 62a_100102888905_100000210623 [0,2,0,0,0,0|1,0,0]=3 4904 B13R1.75 C=CCSc1ccc(cc1C)NN 62a_100000210623_100000745493 [0,2,0,0,0,0|2,0,0]=4 4905 B13R1.75 C=CCSc1ccc(cc1C)NN 62a_100000745493_100000210623 [0,2,0,0,0,0|2,0,0]=4 4906 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000210623_100000759875 [0,2,0,0,0,0|0,0,0]=2 4907 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000759875_100000210623 [0,2,0,0,0,0|0,0,0]=2 4908 B13R1.75 C=CCSc1ccc(cc1Cl)C#N 62a_100000210623_100012349663 [0,2,0,0,0,0|2,0,0]=4 4909 B13R1.75 C=CCSc1ccc(cc1Cl)CO 62a_100000210623_100000718186 [0,2,0,0,0,0|2,0,0]=4 4910 B13R1.75 C=CCSc1ccc(cc1Cl)CO 62a_100000718186_100000210623 [0,2,0,0,0,0|2,0,0]=4 4911 B13R1.75 C=CCSc1ccc(cc1F)C#N 62a_100000210623_100000050172 [0,2,0,0,0,0|2,0,0]=4 4912 B13R1.75 C=CCSc1ccc(cc1F)C=O 62a_100000210623_100000686674 [0,2,0,0,0,0|2,0,0]=4 4913 B13R1.75 C=CCSc1ccc(cc1F)C=O 62a_100000686674_100000210623 [0,2,0,0,0,0|2,0,0]=4 4914 B13R1.75 C=CCSc1ccc(cc1F)CC 62a_100000210623_200010339503 [0,2,0,0,0,0|1,0,0]=3 4915 B13R1.75 C=CCSc1ccc(cc1F)CC 62a_200010339503_100000210623 [0,2,0,0,0,0|1,0,0]=3 4916 B13R1.75 C=CCSc1ccc(cc1F)CN 62a_100000210623_100000755036 [0,2,0,0,0,0|2,0,0]=4 4917 B13R1.75 C=CCSc1ccc(cc1F)CN 62a_100000755036_100000210623 [0,2,0,0,0,0|2,0,0]=4 4918 B13R1.75 C=CCSc1ccc(cc1F)CO 62a_100000210623_100011533735 [0,2,0,0,0,0|2,0,0]=4 4919 B13R1.75 C=CCSc1ccc(cc1F)CO 62a_100011533735_100000210623 [0,2,0,0,0,0|2,0,0]=4 4920 B13R1.75 C=CCSc1ccc(cc1F)NC 62a_100000210623_100012285320 [0,2,0,0,0,0|1,0,0]=3 4921 B13R1.75 C=CCSc1ccc(cc1F)NC 62a_100012285320_100000210623 [0,2,0,0,0,0|1,0,0]=3 4922 B13R1.75 C=CCSc1ccc(cc1F)NN 62a_100000210623_100016992936 [0,2,0,0,0,0|2,0,0]=4 4923 B13R1.75 C=CCSc1ccc(cc1F)NN 62a_100016992936_100000210623 [0,2,0,0,0,0|2,0,0]=4 4924 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000210623_100000753793 [0,2,0,0,0,0|0,0,0]=2 4925 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000753793_100000210623 [0,2,0,0,0,0|0,0,0]=2 4926 B13R1.75 C=CCSc1ccc(cc1F)SC 62a_100000210623_100009816902 [0,2,0,0,0,0|0,1,0]=3 4927 B13R1.75 C=CCSc1ccc(cc1F)SC 62a_100009816902_100000210623 [0,2,0,0,0,0|0,1,0]=3 4928 B13R1.75 C=CCSc1ccc(cc1N)C#N 62a_100000210623_100012001879 [0,2,0,0,0,0|2,0,0]=4 4929 B13R1.75 C=CCSc1ccc(cc1N)CO 62a_100000210623_100012347568 [0,2,0,0,0,0|2,0,0]=4 4930 B13R1.75 C=CCSc1ccc(cc1N)CO 62a_100012347568_100000210623 [0,2,0,0,0,0|2,0,0]=4 4931 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000210623_100000748021 [0,2,0,0,0,0|0,0,0]=2 4932 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000748021_100000210623 [0,2,0,0,0,0|0,0,0]=2 4933 B13R1.75 C=CCSc1ccc(cc1O)C#N 62a_100000210623_100009877741 [0,2,0,0,0,0|2,0,0]=4 4934 B13R1.75 C=CCSc1ccc(cc1O)C=O 62a_100000041418_100000210623 [0,2,0,0,0,0|2,0,0]=4 4935 B13R1.75 C=CCSc1ccc(cc1O)C=O 62a_100000210623_100000041418 [0,2,0,0,0,0|2,0,0]=4 4936 B13R1.75 C=CCSc1ccc(cc1O)CO 62a_100000049605_100000210623 [0,2,0,0,0,0|2,0,0]=4 4937 B13R1.75 C=CCSc1ccc(cc1O)CO 62a_100000210623_100000049605 [0,2,0,0,0,0|2,0,0]=4 4938 B13R1.75 C=CCSc1ccc(cc1O)OC 62a_100000210623_100000719091 [0,2,0,0,0,0|0,0,0]=2 4939 B13R1.75 C=CCSc1ccc(nc1C)OC 62a_100000210623_100000766551 [0,2,0,0,0,0|1,0,0]=3 4940 B13R1.75 C=CCSc1ccc(nc1C)OC 62a_100000766551_100000210623 [0,2,0,0,0,0|1,0,0]=3 4941 B13R1.75 C=CCSc1ccc(nc1F)OC 62a_100000210623_100010067559 [0,2,0,0,0,0|1,0,0]=3 4942 B13R1.75 C=CCSc1ccc(nc1F)OC 62a_100010067559_100000210623 [0,2,0,0,0,0|1,0,0]=3 4943 B13R1.75 C=CCSc1ccc(nc1N)OC 62a_100010187629_100000210623 [0,2,0,0,0,0|1,0,0]=3 4944 B13R1.75 C=CCSc1cnc(cc1C)NC 62a_100000210623_100012352278 [0,2,0,0,0,0|2,0,0]=4 4945 B13R1.75 C=CCSc1cnc(cc1C)NC 62a_100012352278_100000210623 [0,2,0,0,0,0|2,0,0]=4 4946 B13R1.75 C=CCSc1cnc(cc1C)OC 62a_100000210623_100011934368 [0,2,0,0,0,0|1,0,0]=3 4947 B13R1.75 C=CCSc1cnc(cc1C)OC 62a_100011934368_100000210623 [0,2,0,0,0,0|1,0,0]=3 4948 B13R1.75 C=CCSc1cnc(cc1F)OC 62a_100000210623_100010136277 [0,2,0,0,0,0|1,0,0]=3 4949 B13R1.75 C=CCSc1cnc(cc1F)OC 62a_100010136277_100000210623 [0,2,0,0,0,0|1,0,0]=3 4950 B13R1.75 C=CCSc1cnc(cc1N)OC 62a_100000210623_100010254562 [0,2,0,0,0,0|1,0,0]=3 4951 B13R1.75 C=CCSc1cnc(cc1N)OC 62a_100010254562_100000210623 [0,2,0,0,0,0|1,0,0]=3 4952 B13R1.75 C=CCSc1cnc(cc1O)OC 62a_100000210623_100010738159 [0,2,0,0,0,0|1,0,0]=3 4953 B13R1.75 C=CCSc1cnc(cc1O)OC 62a_100010738159_100000210623 [0,2,0,0,0,0|1,0,0]=3 4954 B13R1.75 C=CCSc1cnc(nc1C)OC 62a_100000210623_100010152497 [0,2,0,0,0,0|2,0,0]=4 4955 B13R1.75 C=CCSc1cnc(nc1C)OC 62a_100010152497_100000210623 [0,2,0,0,0,0|2,0,0]=4 4956 B13R1.75 C=CCSc1cnc(nc1N)OC 62a_100000210623_100010218985 [0,2,0,0,0,0|2,0,0]=4 4957 B13R1.75 C=CCSc1cnc(nc1N)OC 62a_100010218985_100000210623 [0,2,0,0,0,0|2,0,0]=4 4958 B13R1.75 C=CCSc1ncc(cc1C)OC 62a_100000210623_200009851512 [0,2,0,0,0,0|1,0,0]=3 4959 B13R1.75 C=CCSc1ncc(cc1C)SC 62a_100000210623_203440288091 [0,2,0,0,0,0|1,1,0]=4 4960 B13R1.75 C=CCSc1ncc(cc1C)SC 62a_203440288091_100000210623 [0,2,0,0,0,0|1,1,0]=4 4961 B13R1.75 C=CCSc1ncc(cc1F)SC 62a_100000210623_100010884644 [0,2,0,0,0,0|1,1,0]=4 4962 B13R1.75 C=CCSc1ncc(cc1F)SC 62a_100010884644_100000210623 [0,2,0,0,0,0|1,1,0]=4 4963 B13R1.75 C=CCSc1ncc(cc1N)OC 62a_100000210623_100010074831 [0,2,0,0,0,0|1,0,0]=3 4964 B13R1.75 C=CCSc1ncc(cc1N)OC 62a_100010074831_100000210623 [0,2,0,0,0,0|1,0,0]=3 4965 B13R1.75 C=CCSc1ncc(nc1C)OC 62a_100000210623_200010730098 [0,2,0,0,0,0|2,0,0]=4 4966 B13R1.75 C=CCSc1ncc(nc1C)OC 62a_200010730098_100000210623 [0,2,0,0,0,0|2,0,0]=4 4967 B13R1.75 C=CCSc1ncc(nc1N)OC 62a_100000210623_100009955223 [0,2,0,0,0,0|2,0,0]=4 4968 B13R1.75 C=CCSc1ncc(nc1N)OC 62a_100009955223_100000210623 [0,2,0,0,0,0|2,0,0]=4 4969 B13R1.75 CC=NNc1ccc(cc1C)OC 4a_115082355441_200000210099 [0,2,0,0,0,0|1,0,1]=4 4970 B13R1.75 CC=NNc1ccc(cc1F)OC 4a_100015191252_200000210099 [0,2,0,0,0,0|1,0,1]=4 4971 B13R1.75 CCCCc1ccc(cc1Br)OC 271570a_100020621405_100012349170 [0,2,0,0,0,0|0,0,2]=4 4972 B13R1.75 CCCCc1ccc(cc1C)OC 271570a_100020621405_100000759875 [0,2,0,0,0,0|0,0,2]=4 4973 B13R1.75 CCCCc1ccc(cc1F)OC 271570a_100020621405_100000753793 [0,2,0,0,0,0|0,0,2]=4 4974 B13R1.75 CCCCc1ccc(cc1N)OC 271570a_100020621405_100000748021 [0,2,0,0,0,0|0,0,2]=4 4975 B13R1.75 CCCCc1ccc(cc1O)OC 271570a_100020621405_100000719091 [0,2,0,0,0,0|0,0,2]=4 4976 B13R1.75 CCCNc1ccc(cc1Br)OC 34a_100015195136_100000210303 [0,2,0,0,0,0|0,0,2]=4 4977 B13R1.75 CCCNc1ccc(cc1C)OC 34a_100000750285_100000210303 [0,2,0,0,0,0|0,0,2]=4 4978 B13R1.75 CCCNc1ccc(cc1Cl)OC 34a_100000747055_100000210303 [0,2,0,0,0,0|0,0,2]=4 4979 B13R1.75 CCCNc1ccc(cc1F)OC 34a_100011299463_100000210303 [0,2,0,0,0,0|0,0,2]=4 4980 B13R1.75 CCCNc1ccc(cc1I)OC 34a_100000049804_100000210303 [0,2,0,0,0,0|0,0,2]=4 4981 B13R1.75 CCCNc1ccc(cc1O)OC 34a_100016989039_100000210303 [0,2,0,0,0,0|0,0,2]=4 4982 B13R1.75 CCCOc1ccc(cc1Br)OC 34a_100000685887_100000210303 [0,2,0,0,0,0|0,0,2]=4 4983 B13R1.75 CCCOc1ccc(cc1Br)OC 7a_100000685887_100000210303 [0,2,0,0,0,0|0,0,2]=4 4984 B13R1.75 CCCOc1ccc(cc1C)OC 34a_100012002223_100000210303 [0,2,0,0,0,0|0,0,2]=4 4985 B13R1.75 CCCOc1ccc(cc1C)OC 7a_100012002223_100000210303 [0,2,0,0,0,0|0,0,2]=4 4986 B13R1.75 CCCOc1ccc(cc1Cl)OC 34a_100000038596_100000210303 [0,2,0,0,0,0|0,0,2]=4 4987 B13R1.75 CCCOc1ccc(cc1Cl)OC 7a_100000038596_100000210303 [0,2,0,0,0,0|0,0,2]=4 4988 B13R1.75 CCCOc1ccc(cc1F)OC 34a_100000036999_100000210303 [0,2,0,0,0,0|0,0,2]=4 4989 B13R1.75 CCCOc1ccc(cc1F)OC 7a_100000036999_100000210303 [0,2,0,0,0,0|0,0,2]=4 4990 B13R1.75 CCCOc1ccc(cc1N)OC 34a_100000188146_100000210303 [0,2,0,0,0,0|0,0,2]=4 4991 B13R1.75 CCCSc1ccc(cc1Br)OC 62a_100000210303_100012349170 [0,2,0,0,0,0|0,0,2]=4 4992 B13R1.75 CCCSc1ccc(cc1Br)OC 62a_100012349170_100000210303 [0,2,0,0,0,0|0,0,2]=4 4993 B13R1.75 CCCSc1ccc(cc1C)OC 62a_100000210303_100000759875 [0,2,0,0,0,0|0,0,2]=4 4994 B13R1.75 CCCSc1ccc(cc1C)OC 62a_100000759875_100000210303 [0,2,0,0,0,0|0,0,2]=4 4995 B13R1.75 CCCSc1ccc(cc1F)OC 62a_100000210303_100000753793 [0,2,0,0,0,0|0,0,2]=4 4996 B13R1.75 CCCSc1ccc(cc1F)OC 62a_100000753793_100000210303 [0,2,0,0,0,0|0,0,2]=4 4997 B13R1.75 CCCSc1ccc(cc1N)OC 62a_100000210303_100000748021 [0,2,0,0,0,0|0,0,2]=4 4998 B13R1.75 CCCSc1ccc(cc1N)OC 62a_100000748021_100000210303 [0,2,0,0,0,0|0,0,2]=4 4999 B13R1.75 CCCSc1ccc(cc1O)OC 62a_100000210303_100000719091 [0,2,0,0,0,0|0,0,2]=4 5000 B13R1.75 CCNCc1ccc(cc1Br)OC 207a_100015525214_100000723261 [0,2,0,0,0,0|0,0,2]=4 5001 B13R1.75 CCNCc1ccc(cc1Br)OC 2230a_100015525214_100011982828 [0,2,0,0,0,0|0,0,2]=4 5002 B13R1.75 CCNCc1ccc(cc1Br)OC 270004a_100015525214_100000723261 [0,2,0,0,0,0|0,0,2]=4 5003 B13R1.75 CCNCc1ccc(cc1C)OC 207a_100015525214_100011214997 [0,2,0,0,0,0|0,0,2]=4 5004 B13R1.75 CCNCc1ccc(cc1C)OC 270004a_100015525214_100011214997 [0,2,0,0,0,0|0,0,2]=4 5005 B13R1.75 CCNCc1ccc(cc1Cl)OC 207a_100015525214_100000235372 [0,2,0,0,0,0|0,0,2]=4 5006 B13R1.75 CCNCc1ccc(cc1Cl)OC 2230a_100015525214_200011830453 [0,2,0,0,0,0|0,0,2]=4 5007 B13R1.75 CCNCc1ccc(cc1Cl)OC 270004a_100015525214_100000235372 [0,2,0,0,0,0|0,0,2]=4 5008 B13R1.75 CCNCc1ccc(cc1Cl)OC 34a_100138410423_100000210202 [0,2,0,0,0,0|0,0,2]=4 5009 B13R1.75 CCNCc1ccc(cc1F)OC 207a_100015525214_100011216087 [0,2,0,0,0,0|0,0,2]=4 5010 B13R1.75 CCNCc1ccc(cc1F)OC 2230a_100015525214_100011260761 [0,2,0,0,0,0|0,0,2]=4 5011 B13R1.75 CCNCc1ccc(cc1F)OC 270004a_100015525214_100011216087 [0,2,0,0,0,0|0,0,2]=4 5012 B13R1.75 CCNCc1ccc(cc1F)OC 34a_100000687396_100000210202 [0,2,0,0,0,0|0,0,2]=4 5013 B13R1.75 CCNCc1ccc(cc1I)OC 207a_100015525214_100010159643 [0,2,0,0,0,0|0,0,2]=4 5014 B13R1.75 CCNCc1ccc(cc1I)OC 270004a_100015525214_100010159643 [0,2,0,0,0,0|0,0,2]=4 5015 B13R1.75 CCOCc1ccc(cc1Br)OC 34a_100011982768_100000210202 [0,2,0,0,0,0|0,0,2]=4 5016 B13R1.75 CCOCc1ccc(cc1Br)OC 34a_100121572206_100011982828 [0,2,0,0,0,0|0,0,2]=4 5017 B13R1.75 CCOCc1ccc(cc1Br)OC 7a_100011982768_100000210202 [0,2,0,0,0,0|0,0,2]=4 5018 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100011982767_100000210202 [0,2,0,0,0,0|0,0,2]=4 5019 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100121572206_200011830453 [0,2,0,0,0,0|0,0,2]=4 5020 B13R1.75 CCOCc1ccc(cc1Cl)OC 7a_100011982767_100000210202 [0,2,0,0,0,0|0,0,2]=4 5021 B13R1.75 CCOCc1ccc(cc1F)OC 34a_100011830421_100000210202 [0,2,0,0,0,0|0,0,2]=4 5022 B13R1.75 CCOCc1ccc(cc1F)OC 34a_100121572206_100011260761 [0,2,0,0,0,0|0,0,2]=4 5023 B13R1.75 CCOCc1ccc(cc1F)OC 7a_100011830421_100000210202 [0,2,0,0,0,0|0,0,2]=4 5024 B13R1.75 CCOCc1ccc(cc1N)OC 34a_100011998734_100000210202 [0,2,0,0,0,0|0,0,2]=4 5025 B13R1.75 CCSCc1ccc(cc1Br)OC 62a_100000210202_100011982828 [0,2,0,0,0,0|0,0,2]=4 5026 B13R1.75 CCSCc1ccc(cc1Br)OC 62a_100011982828_100000210202 [0,2,0,0,0,0|0,0,2]=4 5027 B13R1.75 CCSCc1ccc(cc1Cl)OC 62a_100000210202_200011830453 [0,2,0,0,0,0|0,0,2]=4 5028 B13R1.75 CCSCc1ccc(cc1Cl)OC 62a_200011830453_100000210202 [0,2,0,0,0,0|0,0,2]=4 5029 B13R1.75 CCSCc1ccc(cc1F)OC 62a_100000210202_100011260761 [0,2,0,0,0,0|0,0,2]=4 5030 B13R1.75 CCSCc1ccc(cc1F)OC 62a_100011260761_100000210202 [0,2,0,0,0,0|0,0,2]=4 5031 B13R1.75 CCc1ccc(c(c1)Br)NCC=O 2230a_100012339725_200015260668 [0,2,0,0,0,0|2,0,0]=4 5032 B13R1.75 CCc1ccc(c(c1)Br)NCC=O 34a_100012339725_200009817547 [0,2,0,0,0,0|2,0,0]=4 5033 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 34a_100012339963_200009817547 [0,2,0,0,0,0|2,0,0]=4 5034 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 7a_100012339963_200015260668 [0,2,0,0,0,0|2,0,0]=4 5035 B13R1.75 CCc1ccc(c(c1)Br)SCC=O 62a_200009997437_200015260668 [0,2,0,0,0,0|2,0,0]=4 5036 B13R1.75 CCc1ccc(c(c1)Br)SCC=O 62a_200015260668_200009997437 [0,2,0,0,0,0|2,0,0]=4 5037 B13R1.75 CCc1ccc(c(c1)C)NCC=O 2230a_100011226020_200015260668 [0,2,0,0,0,0|2,0,0]=4 5038 B13R1.75 CCc1ccc(c(c1)C)NCC=O 34a_100011226020_200009817547 [0,2,0,0,0,0|2,0,0]=4 5039 B13R1.75 CCc1ccc(c(c1)C)NCC=O 7a_100011226020_200015260668 [0,2,0,0,0,0|2,0,0]=4 5040 B13R1.75 CCc1ccc(c(c1)F)NCC=O 2230a_100016177294_200015260668 [0,2,0,0,0,0|2,0,0]=4 5041 B13R1.75 CCc1ccc(c(c1)F)NCC=O 34a_100016177294_200009817547 [0,2,0,0,0,0|2,0,0]=4 5042 B13R1.75 CCc1ccc(c(c1)F)SCC=O 62a_200010339503_200015260668 [0,2,0,0,0,0|2,0,0]=4 5043 B13R1.75 CCc1ccc(c(c1)F)SCC=O 62a_200015260668_200010339503 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.75 CCc1ccc(c(c1)N)OCC=O 34a_100000765835_200009817547 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.75 CCc1ccc(c(c1)N)OCC=O 7a_100000765835_200015260668 [0,2,0,0,0,0|2,0,0]=4 5046 B13R1.75 CCc1ccc(c(c1)O)NCC=O 34a_100000124328_200009817547 [0,2,0,0,0,0|2,0,0]=4 5047 B13R1.75 CNc1ccc(c(c1)C)SCC=O 62a_100102888905_200015260668 [0,2,0,0,0,0|2,0,0]=4 5048 B13R1.75 CNc1ccc(c(c1)C)SCC=O 62a_200015260668_100102888905 [0,2,0,0,0,0|2,0,0]=4 5049 B13R1.75 CNc1ccc(c(c1)F)SCC=O 62a_100012285320_200015260668 [0,2,0,0,0,0|2,0,0]=4 5050 B13R1.75 CNc1ccc(c(c1)F)SCC=O 62a_200015260668_100012285320 [0,2,0,0,0,0|2,0,0]=4 5051 B13R1.75 COCOc1ccc(cc1O)OC 271570a_203496583355_200013022666 [0,2,0,0,0,0|1,0,1]=4 5052 B13R1.75 COCSc1ccc(cc1Br)OC 62a_100000766300_100012349170 [0,2,0,0,0,0|1,0,1]=4 5053 B13R1.75 COCSc1ccc(cc1Br)OC 62a_100012349170_100000766300 [0,2,0,0,0,0|1,0,1]=4 5054 B13R1.75 COCSc1ccc(cc1C)OC 62a_100000759875_100000766300 [0,2,0,0,0,0|1,0,1]=4 5055 B13R1.75 COCSc1ccc(cc1C)OC 62a_100000766300_100000759875 [0,2,0,0,0,0|1,0,1]=4 5056 B13R1.75 COCSc1ccc(cc1F)OC 62a_100000753793_100000766300 [0,2,0,0,0,0|1,0,1]=4 5057 B13R1.75 COCSc1ccc(cc1F)OC 62a_100000766300_100000753793 [0,2,0,0,0,0|1,0,1]=4 5058 B13R1.75 COCSc1ccc(cc1N)OC 62a_100000748021_100000766300 [0,2,0,0,0,0|1,0,1]=4 5059 B13R1.75 COCSc1ccc(cc1N)OC 62a_100000766300_100000748021 [0,2,0,0,0,0|1,0,1]=4 5060 B13R1.75 COCSc1ccc(cc1O)OC 62a_100000766300_100000719091 [0,2,0,0,0,0|1,0,1]=4 5061 B13R1.75 COc1cc(c(cn1)SCC=O)C 62a_100011934368_200015260668 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.75 COc1cc(c(cn1)SCC=O)C 62a_200015260668_100011934368 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.75 COc1cc(c(cn1)SCC=O)F 62a_100010136277_200015260668 [0,2,0,0,0,0|2,0,0]=4 5064 B13R1.75 COc1cc(c(cn1)SCC=O)F 62a_200015260668_100010136277 [0,2,0,0,0,0|2,0,0]=4 5065 B13R1.75 COc1cc(c(cn1)SCC=O)N 62a_100010254562_200015260668 [0,2,0,0,0,0|2,0,0]=4 5066 B13R1.75 COc1cc(c(cn1)SCC=O)N 62a_200015260668_100010254562 [0,2,0,0,0,0|2,0,0]=4 5067 B13R1.75 COc1cc(c(cn1)SCC=O)O 62a_100010738159_200015260668 [0,2,0,0,0,0|2,0,0]=4 5068 B13R1.75 COc1cc(c(cn1)SCC=O)O 62a_200015260668_100010738159 [0,2,0,0,0,0|2,0,0]=4 5069 B13R1.75 COc1ccc(c(c1)Br)COCF 34a_100011982768_100015361967 [0,2,0,0,0,0|1,0,1]=4 5070 B13R1.75 COc1ccc(c(c1)Br)COCF 7a_100011982768_100015361967 [0,2,0,0,0,0|1,0,1]=4 5071 B13R1.75 COc1ccc(c(c1)Br)CSCF 62a_100011982828_100015361967 [0,2,0,0,0,0|1,0,1]=4 5072 B13R1.75 COc1ccc(c(c1)Br)CSCF 62a_100015361967_100011982828 [0,2,0,0,0,0|1,0,1]=4 5073 B13R1.75 COc1ccc(c(c1)Br)NCC=O 34a_100015195136_200009817547 [0,2,0,0,0,0|1,0,0]=3 5074 B13R1.75 COc1ccc(c(c1)Br)NCCF 34a_100015195136_100011217306 [0,2,0,0,0,0|1,0,1]=4 5075 B13R1.75 COc1ccc(c(c1)Br)NCCO 34a_100015195136_100000211926 [0,2,0,0,0,0|1,0,1]=4 5076 B13R1.75 COc1ccc(c(c1)Br)NCSC 34a_100015195136_100011218213 [0,2,0,0,0,0|1,0,1]=4 5077 B13R1.75 COc1ccc(c(c1)Br)OCC#N 7a_100000685887_100011215382 [0,2,0,0,0,0|1,0,1]=4 5078 B13R1.75 COc1ccc(c(c1)Br)OCC=O 34a_100000685887_200009817547 [0,2,0,0,0,0|1,0,0]=3 5079 B13R1.75 COc1ccc(c(c1)Br)OCC=O 7a_100000685887_200015260668 [0,2,0,0,0,0|1,0,0]=3 5080 B13R1.75 COc1ccc(c(c1)Br)OCCF 34a_100000685887_100011217306 [0,2,0,0,0,0|1,0,1]=4 5081 B13R1.75 COc1ccc(c(c1)Br)OCCF 7a_100000685887_100011217306 [0,2,0,0,0,0|1,0,1]=4 5082 B13R1.75 COc1ccc(c(c1)Br)OCCO 34a_100000685887_100000211926 [0,2,0,0,0,0|1,0,1]=4 5083 B13R1.75 COc1ccc(c(c1)Br)OCCO 7a_100000685887_100000211926 [0,2,0,0,0,0|1,0,1]=4 5084 B13R1.75 COc1ccc(c(c1)Br)OCSC 34a_100000685887_100011218213 [0,2,0,0,0,0|1,0,1]=4 5085 B13R1.75 COc1ccc(c(c1)Br)SCC#N 62a_100011215382_100012349170 [0,2,0,0,0,0|1,0,1]=4 5086 B13R1.75 COc1ccc(c(c1)Br)SCC#N 62a_100012349170_100011215382 [0,2,0,0,0,0|1,0,1]=4 5087 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_100012349170_200015260668 [0,2,0,0,0,0|1,0,0]=3 5088 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_200015260668_100012349170 [0,2,0,0,0,0|1,0,0]=3 5089 B13R1.75 COc1ccc(c(c1)Br)SCCF 62a_100011217306_100012349170 [0,2,0,0,0,0|1,0,1]=4 5090 B13R1.75 COc1ccc(c(c1)Br)SCCF 62a_100012349170_100011217306 [0,2,0,0,0,0|1,0,1]=4 5091 B13R1.75 COc1ccc(c(c1)Br)SCCO 62a_100000211926_100012349170 [0,2,0,0,0,0|1,0,1]=4 5092 B13R1.75 COc1ccc(c(c1)Br)SCCO 62a_100012349170_100000211926 [0,2,0,0,0,0|1,0,1]=4 5093 B13R1.75 COc1ccc(c(c1)Br)SCSC 62a_100011218213_100012349170 [0,2,0,0,0,0|1,0,1]=4 5094 B13R1.75 COc1ccc(c(c1)Br)SCSC 62a_100012349170_100011218213 [0,2,0,0,0,0|1,0,1]=4 5095 B13R1.75 COc1ccc(c(c1)C)NCC=O 34a_100000750285_200009817547 [0,2,0,0,0,0|1,0,0]=3 5096 B13R1.75 COc1ccc(c(c1)C)NCCF 34a_100000750285_100011217306 [0,2,0,0,0,0|1,0,1]=4 5097 B13R1.75 COc1ccc(c(c1)C)NCCO 34a_100000750285_100000211926 [0,2,0,0,0,0|1,0,1]=4 5098 B13R1.75 COc1ccc(c(c1)C)NCSC 34a_100000750285_100011218213 [0,2,0,0,0,0|1,0,1]=4 5099 B13R1.75 COc1ccc(c(c1)C)OCC#N 7a_100012002223_100011215382 [0,2,0,0,0,0|1,0,1]=4 5100 B13R1.75 COc1ccc(c(c1)C)OCC=O 34a_100012002223_200009817547 [0,2,0,0,0,0|1,0,0]=3 5101 B13R1.75 COc1ccc(c(c1)C)OCC=O 7a_100012002223_200015260668 [0,2,0,0,0,0|1,0,0]=3 5102 B13R1.75 COc1ccc(c(c1)C)OCCF 34a_100012002223_100011217306 [0,2,0,0,0,0|1,0,1]=4 5103 B13R1.75 COc1ccc(c(c1)C)OCCF 7a_100012002223_100011217306 [0,2,0,0,0,0|1,0,1]=4 5104 B13R1.75 COc1ccc(c(c1)C)OCCO 34a_100012002223_100000211926 [0,2,0,0,0,0|1,0,1]=4 5105 B13R1.75 COc1ccc(c(c1)C)OCCO 7a_100012002223_100000211926 [0,2,0,0,0,0|1,0,1]=4 5106 B13R1.75 COc1ccc(c(c1)C)OCSC 34a_100012002223_100011218213 [0,2,0,0,0,0|1,0,1]=4 5107 B13R1.75 COc1ccc(c(c1)C)SCC#N 62a_100000759875_100011215382 [0,2,0,0,0,0|1,0,1]=4 5108 B13R1.75 COc1ccc(c(c1)C)SCC#N 62a_100011215382_100000759875 [0,2,0,0,0,0|1,0,1]=4 5109 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_100000759875_200015260668 [0,2,0,0,0,0|1,0,0]=3 5110 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_200015260668_100000759875 [0,2,0,0,0,0|1,0,0]=3 5111 B13R1.75 COc1ccc(c(c1)C)SCCF 62a_100000759875_100011217306 [0,2,0,0,0,0|1,0,1]=4 5112 B13R1.75 COc1ccc(c(c1)C)SCCF 62a_100011217306_100000759875 [0,2,0,0,0,0|1,0,1]=4 5113 B13R1.75 COc1ccc(c(c1)C)SCCO 62a_100000211926_100000759875 [0,2,0,0,0,0|1,0,1]=4 5114 B13R1.75 COc1ccc(c(c1)C)SCCO 62a_100000759875_100000211926 [0,2,0,0,0,0|1,0,1]=4 5115 B13R1.75 COc1ccc(c(c1)C)SCSC 62a_100000759875_100011218213 [0,2,0,0,0,0|1,0,1]=4 5116 B13R1.75 COc1ccc(c(c1)C)SCSC 62a_100011218213_100000759875 [0,2,0,0,0,0|1,0,1]=4 5117 B13R1.75 COc1ccc(c(c1)Cl)CNCF 34a_100138410423_100015361967 [0,2,0,0,0,0|1,0,1]=4 5118 B13R1.75 COc1ccc(c(c1)Cl)COCF 34a_100011982767_100015361967 [0,2,0,0,0,0|1,0,1]=4 5119 B13R1.75 COc1ccc(c(c1)Cl)COCF 7a_100011982767_100015361967 [0,2,0,0,0,0|1,0,1]=4 5120 B13R1.75 COc1ccc(c(c1)Cl)CSCF 62a_100015361967_200011830453 [0,2,0,0,0,0|1,0,1]=4 5121 B13R1.75 COc1ccc(c(c1)Cl)CSCF 62a_200011830453_100015361967 [0,2,0,0,0,0|1,0,1]=4 5122 B13R1.75 COc1ccc(c(c1)Cl)NCC=O 34a_100000747055_200009817547 [0,2,0,0,0,0|1,0,0]=3 5123 B13R1.75 COc1ccc(c(c1)Cl)NCCF 34a_100000747055_100011217306 [0,2,0,0,0,0|1,0,1]=4 5124 B13R1.75 COc1ccc(c(c1)Cl)NCCO 34a_100000747055_100000211926 [0,2,0,0,0,0|1,0,1]=4 5125 B13R1.75 COc1ccc(c(c1)Cl)NCSC 34a_100000747055_100011218213 [0,2,0,0,0,0|1,0,1]=4 5126 B13R1.75 COc1ccc(c(c1)Cl)OCC#N 7a_100000038596_100011215382 [0,2,0,0,0,0|1,0,1]=4 5127 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 34a_100000038596_200009817547 [0,2,0,0,0,0|1,0,0]=3 5128 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 7a_100000038596_200015260668 [0,2,0,0,0,0|1,0,0]=3 5129 B13R1.75 COc1ccc(c(c1)Cl)OCCF 34a_100000038596_100011217306 [0,2,0,0,0,0|1,0,1]=4 5130 B13R1.75 COc1ccc(c(c1)Cl)OCCF 7a_100000038596_100011217306 [0,2,0,0,0,0|1,0,1]=4 5131 B13R1.75 COc1ccc(c(c1)Cl)OCCO 34a_100000038596_100000211926 [0,2,0,0,0,0|1,0,1]=4 5132 B13R1.75 COc1ccc(c(c1)Cl)OCCO 7a_100000038596_100000211926 [0,2,0,0,0,0|1,0,1]=4 5133 B13R1.75 COc1ccc(c(c1)Cl)OCSC 34a_100000038596_100011218213 [0,2,0,0,0,0|1,0,1]=4 5134 B13R1.75 COc1ccc(c(c1)F)CNCF 34a_100000687396_100015361967 [0,2,0,0,0,0|1,0,1]=4 5135 B13R1.75 COc1ccc(c(c1)F)COCF 34a_100011830421_100015361967 [0,2,0,0,0,0|1,0,1]=4 5136 B13R1.75 COc1ccc(c(c1)F)COCF 7a_100011830421_100015361967 [0,2,0,0,0,0|1,0,1]=4 5137 B13R1.75 COc1ccc(c(c1)F)CSCF 62a_100011260761_100015361967 [0,2,0,0,0,0|1,0,1]=4 5138 B13R1.75 COc1ccc(c(c1)F)CSCF 62a_100015361967_100011260761 [0,2,0,0,0,0|1,0,1]=4 5139 B13R1.75 COc1ccc(c(c1)F)NCC=O 34a_100011299463_200009817547 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.75 COc1ccc(c(c1)F)NCCF 34a_100011299463_100011217306 [0,2,0,0,0,0|1,0,1]=4 5141 B13R1.75 COc1ccc(c(c1)F)NCCO 34a_100011299463_100000211926 [0,2,0,0,0,0|1,0,1]=4 5142 B13R1.75 COc1ccc(c(c1)F)NCSC 34a_100011299463_100011218213 [0,2,0,0,0,0|1,0,1]=4 5143 B13R1.75 COc1ccc(c(c1)F)OCC#N 7a_100000036999_100011215382 [0,2,0,0,0,0|1,0,1]=4 5144 B13R1.75 COc1ccc(c(c1)F)OCC=O 34a_100000036999_200009817547 [0,2,0,0,0,0|1,0,0]=3 5145 B13R1.75 COc1ccc(c(c1)F)OCC=O 7a_100000036999_200015260668 [0,2,0,0,0,0|1,0,0]=3 5146 B13R1.75 COc1ccc(c(c1)F)OCCF 34a_100000036999_100011217306 [0,2,0,0,0,0|1,0,1]=4 5147 B13R1.75 COc1ccc(c(c1)F)OCCF 7a_100000036999_100011217306 [0,2,0,0,0,0|1,0,1]=4 5148 B13R1.75 COc1ccc(c(c1)F)OCCO 34a_100000036999_100000211926 [0,2,0,0,0,0|1,0,1]=4 5149 B13R1.75 COc1ccc(c(c1)F)OCCO 7a_100000036999_100000211926 [0,2,0,0,0,0|1,0,1]=4 5150 B13R1.75 COc1ccc(c(c1)F)OCSC 34a_100000036999_100011218213 [0,2,0,0,0,0|1,0,1]=4 5151 B13R1.75 COc1ccc(c(c1)F)SCC#N 62a_100000753793_100011215382 [0,2,0,0,0,0|1,0,1]=4 5152 B13R1.75 COc1ccc(c(c1)F)SCC#N 62a_100011215382_100000753793 [0,2,0,0,0,0|1,0,1]=4 5153 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_100000753793_200015260668 [0,2,0,0,0,0|1,0,0]=3 5154 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_200015260668_100000753793 [0,2,0,0,0,0|1,0,0]=3 5155 B13R1.75 COc1ccc(c(c1)F)SCCF 62a_100000753793_100011217306 [0,2,0,0,0,0|1,0,1]=4 5156 B13R1.75 COc1ccc(c(c1)F)SCCF 62a_100011217306_100000753793 [0,2,0,0,0,0|1,0,1]=4 5157 B13R1.75 COc1ccc(c(c1)F)SCCO 62a_100000211926_100000753793 [0,2,0,0,0,0|1,0,1]=4 5158 B13R1.75 COc1ccc(c(c1)F)SCCO 62a_100000753793_100000211926 [0,2,0,0,0,0|1,0,1]=4 5159 B13R1.75 COc1ccc(c(c1)F)SCSC 62a_100000753793_100011218213 [0,2,0,0,0,0|1,0,1]=4 5160 B13R1.75 COc1ccc(c(c1)F)SCSC 62a_100011218213_100000753793 [0,2,0,0,0,0|1,0,1]=4 5161 B13R1.75 COc1ccc(c(c1)I)NCC=O 34a_100000049804_200009817547 [0,2,0,0,0,0|1,0,0]=3 5162 B13R1.75 COc1ccc(c(c1)I)NCCF 34a_100000049804_100011217306 [0,2,0,0,0,0|1,0,1]=4 5163 B13R1.75 COc1ccc(c(c1)I)NCCO 34a_100000049804_100000211926 [0,2,0,0,0,0|1,0,1]=4 5164 B13R1.75 COc1ccc(c(c1)I)NCSC 34a_100000049804_100011218213 [0,2,0,0,0,0|1,0,1]=4 5165 B13R1.75 COc1ccc(c(c1)N)COCF 34a_100011998734_100015361967 [0,2,0,0,0,0|1,0,1]=4 5166 B13R1.75 COc1ccc(c(c1)N)OCC=O 34a_100000188146_200009817547 [0,2,0,0,0,0|1,0,0]=3 5167 B13R1.75 COc1ccc(c(c1)N)OCCF 34a_100000188146_100011217306 [0,2,0,0,0,0|1,0,1]=4 5168 B13R1.75 COc1ccc(c(c1)N)OCCO 34a_100000188146_100000211926 [0,2,0,0,0,0|1,0,1]=4 5169 B13R1.75 COc1ccc(c(c1)N)OCSC 34a_100000188146_100011218213 [0,2,0,0,0,0|1,0,1]=4 5170 B13R1.75 COc1ccc(c(c1)N)SCC#N 62a_100000748021_100011215382 [0,2,0,0,0,0|1,0,1]=4 5171 B13R1.75 COc1ccc(c(c1)N)SCC#N 62a_100011215382_100000748021 [0,2,0,0,0,0|1,0,1]=4 5172 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_100000748021_200015260668 [0,2,0,0,0,0|1,0,0]=3 5173 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_200015260668_100000748021 [0,2,0,0,0,0|1,0,0]=3 5174 B13R1.75 COc1ccc(c(c1)N)SCCF 62a_100000748021_100011217306 [0,2,0,0,0,0|1,0,1]=4 5175 B13R1.75 COc1ccc(c(c1)N)SCCF 62a_100011217306_100000748021 [0,2,0,0,0,0|1,0,1]=4 5176 B13R1.75 COc1ccc(c(c1)N)SCCO 62a_100000211926_100000748021 [0,2,0,0,0,0|1,0,1]=4 5177 B13R1.75 COc1ccc(c(c1)N)SCCO 62a_100000748021_100000211926 [0,2,0,0,0,0|1,0,1]=4 5178 B13R1.75 COc1ccc(c(c1)N)SCSC 62a_100000748021_100011218213 [0,2,0,0,0,0|1,0,1]=4 5179 B13R1.75 COc1ccc(c(c1)N)SCSC 62a_100011218213_100000748021 [0,2,0,0,0,0|1,0,1]=4 5180 B13R1.75 COc1ccc(c(c1)O)NCC=O 34a_100016989039_200009817547 [0,2,0,0,0,0|1,0,0]=3 5181 B13R1.75 COc1ccc(c(c1)O)NCCF 34a_100016989039_100011217306 [0,2,0,0,0,0|1,0,1]=4 5182 B13R1.75 COc1ccc(c(c1)O)NCCO 34a_100016989039_100000211926 [0,2,0,0,0,0|1,0,1]=4 5183 B13R1.75 COc1ccc(c(c1)O)NCSC 34a_100016989039_100011218213 [0,2,0,0,0,0|1,0,1]=4 5184 B13R1.75 COc1ccc(c(c1)O)OCC#N 271570a_203496583355_100012356953 [0,2,0,0,0,0|1,0,1]=4 5185 B13R1.75 COc1ccc(c(c1)O)SCC#N 62a_100011215382_100000719091 [0,2,0,0,0,0|1,0,1]=4 5186 B13R1.75 COc1ccc(c(c1)O)SCC=O 62a_200015260668_100000719091 [0,2,0,0,0,0|1,0,0]=3 5187 B13R1.75 COc1ccc(c(c1)O)SCCF 62a_100011217306_100000719091 [0,2,0,0,0,0|1,0,1]=4 5188 B13R1.75 COc1ccc(c(c1)O)SCCO 62a_100000211926_100000719091 [0,2,0,0,0,0|1,0,1]=4 5189 B13R1.75 COc1ccc(c(c1)O)SCSC 62a_100011218213_100000719091 [0,2,0,0,0,0|1,0,1]=4 5190 B13R1.75 COc1ccc(c(n1)C)OCC=O 34a_200009873766_200009817547 [0,2,0,0,0,0|2,0,0]=4 5191 B13R1.75 COc1ccc(c(n1)C)SCC=O 62a_100000766551_200015260668 [0,2,0,0,0,0|2,0,0]=4 5192 B13R1.75 COc1ccc(c(n1)C)SCC=O 62a_200015260668_100000766551 [0,2,0,0,0,0|2,0,0]=4 5193 B13R1.75 COc1ccc(c(n1)F)SCC=O 62a_100010067559_200015260668 [0,2,0,0,0,0|2,0,0]=4 5194 B13R1.75 COc1ccc(c(n1)F)SCC=O 62a_200015260668_100010067559 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.75 COc1ccc(c(n1)N)SCC=O 62a_100010187629_200015260668 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.75 COc1cnc(c(c1)C)SCC=O 62a_200015260668_200009851512 [0,2,0,0,0,0|2,0,0]=4 5197 B13R1.75 COc1cnc(c(c1)N)SCC=O 62a_100010074831_200015260668 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.75 COc1cnc(c(c1)N)SCC=O 62a_200015260668_100010074831 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.75 CSc1ccc(c(c1)F)NCC=O 34a_100012056844_200009817547 [0,2,0,0,0,0|1,1,0]=4 5200 B13R1.75 CSc1ccc(c(c1)F)SCC=O 62a_100009816902_200015260668 [0,2,0,0,0,0|1,1,0]=4 5201 B13R1.75 CSc1ccc(c(c1)F)SCC=O 62a_200015260668_100009816902 [0,2,0,0,0,0|1,1,0]=4 5202 B13R1.77 C#CCNc1ccc(cc1)COC 34a_100000694113_100000184674 [0,2,0,0,0,0|0,0,2]=4 5203 B13R1.77 C#CCNc1ccc(cc1)OCC 2230a_100000739623_100000038162 [0,2,0,0,0,0|0,0,2]=4 5204 B13R1.77 C#CCNc1ccc(cc1)OCC 34a_100000739623_100000184674 [0,2,0,0,0,0|0,0,2]=4 5205 B13R1.77 C#CCOc1ccc(cc1)CC#N 34a_100000198970_100000184674 [0,2,0,0,0,0|1,0,1]=4 5206 B13R1.77 C#CCOc1ccc(cc1)CC#N 7a_100000198970_100000038162 [0,2,0,0,0,0|1,0,1]=4 5207 B13R1.77 C#CCOc1ccc(cc1)CC=C 34a_100000078792_100000184674 [0,2,0,0,0,0|0,0,0]=2 5208 B13R1.77 C#CCOc1ccc(cc1)CC=C 7a_100000078792_100000038162 [0,2,0,0,0,0|0,0,0]=2 5209 B13R1.77 C#CCOc1ccc(cc1)CCBr 34a_100009816426_100000184674 [0,2,0,0,0,0|1,0,1]=4 5210 B13R1.77 C#CCOc1ccc(cc1)CCBr 7a_100009816426_100000038162 [0,2,0,0,0,0|1,0,1]=4 5211 B13R1.77 C#CCOc1ccc(cc1)CCC 34a_100000749406_100000184674 [0,2,0,0,0,0|0,0,2]=4 5212 B13R1.77 C#CCOc1ccc(cc1)CCC 7a_100000749406_100000038162 [0,2,0,0,0,0|0,0,2]=4 5213 B13R1.77 C#CCOc1ccc(cc1)CCN 34a_100000743037_100000184674 [0,2,0,0,0,0|1,0,1]=4 5214 B13R1.77 C#CCOc1ccc(cc1)CCO 34a_100011215338_100000184674 [0,2,0,0,0,0|1,0,1]=4 5215 B13R1.77 C#CCOc1ccc(cc1)CCO 7a_100011215338_100000038162 [0,2,0,0,0,0|1,0,1]=4 5216 B13R1.77 C#CCOc1ccc(cc1)CNC 207a_100102657272_100000172624 [0,2,0,0,0,0|1,0,1]=4 5217 B13R1.77 C#CCOc1ccc(cc1)CNC 270004a_106832991635_100000172624 [0,2,0,0,0,0|1,0,1]=4 5218 B13R1.77 C#CCOc1ccc(cc1)CNC 34a_100000207500_100000184674 [0,2,0,0,0,0|1,0,1]=4 5219 B13R1.77 C#CCOc1ccc(cc1)COC 34a_200011995677_100000184674 [0,2,0,0,0,0|0,0,2]=4 5220 B13R1.77 C#CCOc1ccc(cc1)COC 7a_200011995677_100000038162 [0,2,0,0,0,0|0,0,2]=4 5221 B13R1.77 C#CCOc1ccc(cc1)OCC 34a_100000185467_100000184674 [0,2,0,0,0,0|0,0,2]=4 5222 B13R1.77 C#CCSc1ccc(cc1)CC=O 62a_100000038162_100011361690 [0,2,0,0,0,0|1,1,0]=4 5223 B13R1.77 C#CCSc1ccc(cc1)COC 62a_100000038162_100011493685 [0,2,0,0,0,0|0,0,2]=4 5224 B13R1.77 C#CCSc1ccc(cc1)OC=C 62a_100000038162_100000704263 [0,2,0,0,0,0|1,1,0]=4 5225 B13R1.77 C#CCSc1ccc(cc1)OCC 62a_100000038162_100000171712 [0,2,0,0,0,0|0,0,2]=4 5226 B13R1.77 C/C=C/c1ccc(cc1)SCC=O 62a_100016259036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5227 B13R1.77 C/C=C/c1ccc(cc1)SCC=O 62a_200015260668_100016259036 [0,2,0,0,0,0|2,0,0]=4 5228 B13R1.77 C/C=C/c1ccc(cc1)SCOC 62a_100000766300_100016259036 [0,2,0,0,0,0|0,0,2]=4 5229 B13R1.77 C/C=C/c1ccc(cc1)SCOC 62a_100016259036_100000766300 [0,2,0,0,0,0|0,0,2]=4 5230 B13R1.77 C=C=Cc1ccc(cc1)C=COC 271570a_100015277604_100020630460 [0,2,0,0,0,0|0,0,2]=4 5231 B13R1.77 C=C=Cc1ccc(cc1)CCOC 271570a_100015277604_100000739703 [0,2,0,0,0,0|0,0,2]=4 5232 B13R1.77 C=C=Cc1ccc(cc1)COCC 271570a_100015277604_100000758564 [0,2,0,0,0,0|0,0,2]=4 5233 B13R1.77 C=C=Cc1ccc(cc1)OCC#N 271570a_100015277604_200000169425 [0,2,0,0,0,0|0,0,2]=4 5234 B13R1.77 C=C=Cc1ccc(cc1)OCC=C 271570a_100015277604_100000172055 [0,2,0,0,0,0|0,0,2]=4 5235 B13R1.77 C=C=Cc1ccc(cc1)OCCC 271570a_100015277604_100000169948 [0,2,0,0,0,0|0,0,2]=4 5236 B13R1.77 C=C=Cc1ccc(cc1)OCCF 271570a_100015277604_100012347556 [0,2,0,0,0,0|0,0,2]=4 5237 B13R1.77 C=C=Cc1ccc(cc1)OCCN 271570a_100015277604_100000746992 [0,2,0,0,0,0|0,0,2]=4 5238 B13R1.77 C=C=Cc1ccc(cc1)OCCO 271570a_100015277604_100000686261 [0,2,0,0,0,0|0,0,2]=4 5239 B13R1.77 C=C=Cc1ccc(cc1)OCOC 271570a_100015277604_100012265687 [0,2,0,0,0,0|0,0,2]=4 5240 B13R1.77 C=CCNc1ccc(cc1)CC#N 34a_100000198999_100015514636 [0,2,0,0,0,0|1,0,1]=4 5241 B13R1.77 C=CCNc1ccc(cc1)CCC 2230a_100000211780_100000210623 [0,2,0,0,0,0|1,0,0]=3 5242 B13R1.77 C=CCNc1ccc(cc1)CCC 34a_100000211780_100015514636 [0,2,0,0,0,0|1,0,0]=3 5243 B13R1.77 C=CCNc1ccc(cc1)CCO 2230a_100011204434_100000210623 [0,2,0,0,0,0|1,0,0]=3 5244 B13R1.77 C=CCNc1ccc(cc1)CCO 34a_100011204434_100015514636 [0,2,0,0,0,0|1,0,0]=3 5245 B13R1.77 C=CCNc1ccc(cc1)COC 34a_100000694113_100015514636 [0,2,0,0,0,0|0,0,0]=2 5246 B13R1.77 C=CCNc1ccc(cc1)CSC 2230a_106726388226_100000210623 [0,2,0,0,0,0|0,1,0]=3 5247 B13R1.77 C=CCNc1ccc(cc1)CSC 34a_106726388226_100015514636 [0,2,0,0,0,0|0,1,0]=3 5248 B13R1.77 C=CCNc1ccc(cc1)CSC 7a_106726388226_100015514636 [0,2,0,0,0,0|0,1,0]=3 5249 B13R1.77 C=CCNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_100000210623 [0,2,0,0,0,0|2,0,0]=4 5250 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,2,0,0,0,0|0,0,0]=2 5251 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,2,0,0,0,0|0,0,0]=2 5252 B13R1.77 C=CCNc1ccc(cc1)SCC 34a_100015187087_100015514636 [0,2,0,0,0,0|0,1,0]=3 5253 B13R1.77 C=CCNc1ccc(nn1)OCC 27a_100020586998_100000757289 [0,2,0,0,0,0|2,0,0]=4 5254 B13R1.77 C=CCNc1ncc(cn1)OCC 27a_100020586998_100000099823 [0,2,0,0,0,0|2,0,0]=4 5255 B13R1.77 C=CCOc1ccc(cc1)C=CC 271570a_100016259895_100000172055 [0,2,0,0,0,0|1,0,0]=3 5256 B13R1.77 C=CCOc1ccc(cc1)CC#N 34a_100000198970_100015514636 [0,2,0,0,0,0|1,0,1]=4 5257 B13R1.77 C=CCOc1ccc(cc1)CC#N 7a_100000198970_100015514636 [0,2,0,0,0,0|1,0,1]=4 5258 B13R1.77 C=CCOc1ccc(cc1)CC=C 34a_100000078792_100015514636 [0,2,0,0,0,0|0,0,0]=2 5259 B13R1.77 C=CCOc1ccc(cc1)CC=C 7a_100000078792_100015514636 [0,2,0,0,0,0|0,0,0]=2 5260 B13R1.77 C=CCOc1ccc(cc1)CCBr 34a_100009816426_100015514636 [0,2,0,0,0,0|1,0,0]=3 5261 B13R1.77 C=CCOc1ccc(cc1)CCBr 7a_100009816426_100015514636 [0,2,0,0,0,0|1,0,0]=3 5262 B13R1.77 C=CCOc1ccc(cc1)CCC 34a_100000749406_100015514636 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.77 C=CCOc1ccc(cc1)CCC 7a_100000749406_100015514636 [0,2,0,0,0,0|1,0,0]=3 5264 B13R1.77 C=CCOc1ccc(cc1)CCN 34a_100000743037_100015514636 [0,2,0,0,0,0|1,0,0]=3 5265 B13R1.77 C=CCOc1ccc(cc1)CCO 34a_100011215338_100015514636 [0,2,0,0,0,0|1,0,0]=3 5266 B13R1.77 C=CCOc1ccc(cc1)CCO 7a_100011215338_100015514636 [0,2,0,0,0,0|1,0,0]=3 5267 B13R1.77 C=CCOc1ccc(cc1)CNC 207a_100102657272_100000172049 [0,2,0,0,0,0|1,0,0]=3 5268 B13R1.77 C=CCOc1ccc(cc1)CNC 270004a_106832991635_100000172049 [0,2,0,0,0,0|1,0,0]=3 5269 B13R1.77 C=CCOc1ccc(cc1)CNC 34a_100000207500_100015514636 [0,2,0,0,0,0|1,0,0]=3 5270 B13R1.77 C=CCOc1ccc(cc1)COC 34a_200011995677_100015514636 [0,2,0,0,0,0|0,0,0]=2 5271 B13R1.77 C=CCOc1ccc(cc1)COC 7a_200011995677_100015514636 [0,2,0,0,0,0|0,0,0]=2 5272 B13R1.77 C=CCOc1ccc(cc1)NCC 34a_100011337800_100015514636 [0,2,0,0,0,0|1,0,0]=3 5273 B13R1.77 C=CCOc1ccc(cc1)NCC 7a_100011337800_100015514636 [0,2,0,0,0,0|1,0,0]=3 5274 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,2,0,0,0,0|0,0,0]=2 5275 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000172055_100000210202 [0,2,0,0,0,0|0,1,0]=3 5276 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000210202_100000172055 [0,2,0,0,0,0|0,1,0]=3 5277 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100000172055_100015361967 [0,2,0,0,0,0|0,1,0]=3 5278 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100015361967_100000172055 [0,2,0,0,0,0|0,1,0]=3 5279 B13R1.77 C=CCSc1ccc(cc1)/C=C/Br 62a_100000210623_200016255901 [0,2,0,0,0,0|1,0,1]=4 5280 B13R1.77 C=CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210623 [0,2,0,0,0,0|1,0,1]=4 5281 B13R1.77 C=CCSc1ccc(cc1)/C=C/C 62a_100000210623_100016259036 [0,2,0,0,0,0|1,0,0]=3 5282 B13R1.77 C=CCSc1ccc(cc1)/C=C/C 62a_100016259036_100000210623 [0,2,0,0,0,0|1,0,0]=3 5283 B13R1.77 C=CCSc1ccc(cc1)CC#N 62a_100000210623_100011217881 [0,2,0,0,0,0|1,0,1]=4 5284 B13R1.77 C=CCSc1ccc(cc1)CC#N 62a_100011217881_100000210623 [0,2,0,0,0,0|1,0,1]=4 5285 B13R1.77 C=CCSc1ccc(cc1)CC=O 62a_100000210623_100011361690 [0,2,0,0,0,0|1,0,1]=4 5286 B13R1.77 C=CCSc1ccc(cc1)CC=O 62a_100011361690_100000210623 [0,2,0,0,0,0|1,0,1]=4 5287 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000210623_100000750032 [0,2,0,0,0,0|1,0,0]=3 5288 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000750032_100000210623 [0,2,0,0,0,0|1,0,0]=3 5289 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000210623_100000755846 [0,2,0,0,0,0|1,0,0]=3 5290 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000755846_100000210623 [0,2,0,0,0,0|1,0,0]=3 5291 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000210623_100000766406 [0,2,0,0,0,0|1,0,0]=3 5292 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000766406_100000210623 [0,2,0,0,0,0|1,0,0]=3 5293 B13R1.77 C=CCSc1ccc(cc1)CNC 62a_100000180866_100000210623 [0,2,0,0,0,0|1,0,0]=3 5294 B13R1.77 C=CCSc1ccc(cc1)CNC 62a_100000210623_100000180866 [0,2,0,0,0,0|1,0,0]=3 5295 B13R1.77 C=CCSc1ccc(cc1)CNN 62a_100000210623_100016993955 [0,2,0,0,0,0|2,0,0]=4 5296 B13R1.77 C=CCSc1ccc(cc1)CNN 62a_100016993955_100000210623 [0,2,0,0,0,0|2,0,0]=4 5297 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100000210623_100011493685 [0,2,0,0,0,0|0,0,0]=2 5298 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100011493685_100000210623 [0,2,0,0,0,0|0,0,0]=2 5299 B13R1.77 C=CCSc1ccc(cc1)N=[N+]=[N-] 62a_100000210623_100000735661 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.77 C=CCSc1ccc(cc1)NC#N 62a_100000210623_100011685341 [0,2,0,0,0,0|1,0,1]=4 5301 B13R1.77 C=CCSc1ccc(cc1)NCC 62a_100000210623_100000219632 [0,2,0,0,0,0|1,0,0]=3 5302 B13R1.77 C=CCSc1ccc(cc1)OC=C 62a_100000210623_100000704263 [0,2,0,0,0,0|0,0,1]=3 5303 B13R1.77 C=CCSc1ccc(cc1)OC=C 62a_100000704263_100000210623 [0,2,0,0,0,0|0,0,1]=3 5304 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,2,0,0,0,0|0,0,0]=2 5305 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_100000210623_200009811893 [0,2,0,0,0,0|0,1,0]=3 5306 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_200009811893_100000210623 [0,2,0,0,0,0|0,1,0]=3 5307 B13R1.77 C=CCSc1ccc(cn1)CCO 62a_100000210623_100009880866 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.77 C=CCSc1ccc(cn1)CCO 62a_100009880866_100000210623 [0,2,0,0,0,0|2,0,0]=4 5309 B13R1.77 C=CCSc1ccc(cn1)CNC 62a_100000026953_100000210623 [0,2,0,0,0,0|2,0,0]=4 5310 B13R1.77 C=CCSc1ccc(cn1)CNC 62a_100000210623_100000026953 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.77 C=CCSc1ccc(cn1)CSC 62a_100000210623_100000753673 [0,2,0,0,0,0|1,1,0]=4 5312 B13R1.77 C=CCSc1ccc(cn1)CSC 62a_100000753673_100000210623 [0,2,0,0,0,0|1,1,0]=4 5313 B13R1.77 C=CCSc1ccc(cn1)OCC 62a_100000210623_100000753957 [0,2,0,0,0,0|1,0,0]=3 5314 B13R1.77 C=CCSc1ccc(cn1)OCC 62a_100012355646_100000210623 [0,2,0,0,0,0|1,0,0]=3 5315 B13R1.77 C=CCSc1ccc(nc1)CCO 62a_100000210623_100012357577 [0,2,0,0,0,0|2,0,0]=4 5316 B13R1.77 C=CCSc1ccc(nc1)CCO 62a_100012357577_100000210623 [0,2,0,0,0,0|2,0,0]=4 5317 B13R1.77 C=CCSc1ccc(nc1)NCC 62a_100000210623_100000741496 [0,2,0,0,0,0|2,0,0]=4 5318 B13R1.77 C=CCSc1ccc(nc1)NCC 62a_100000741496_100000210623 [0,2,0,0,0,0|2,0,0]=4 5319 B13R1.77 C=CCSc1ccc(nc1)OCC 62a_100000210623_100011219444 [0,2,0,0,0,0|1,0,0]=3 5320 B13R1.77 C=CCSc1ccc(nc1)OCC 62a_100011219444_100000210623 [0,2,0,0,0,0|1,0,0]=3 5321 B13R1.77 C=CCSc1ccc(nc1)SCC 62a_100000210623_100000690189 [0,2,0,0,0,0|1,1,0]=4 5322 B13R1.77 C=CCSc1ccc(nc1)SCC 62a_100000690189_100000210623 [0,2,0,0,0,0|1,1,0]=4 5323 B13R1.77 C=CCSc1ccc(nn1)OCC 62a_100000210623_100000757289 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.77 C=CCSc1cnc(cn1)OCC 62a_100000210623_200012356188 [0,2,0,0,0,0|2,0,0]=4 5325 B13R1.77 C=CCSc1cnc(cn1)OCC 62a_200012356188_100000210623 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.77 C=CCSc1cnc(nc1)OCC 62a_100000210623_100011934766 [0,2,0,0,0,0|2,0,0]=4 5327 B13R1.77 C=CCSc1cnc(nc1)OCC 62a_100011934766_100000210623 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.77 C=CCSc1ncc(cn1)OCC 62a_100000099823_100000210623 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.77 C=CCSc1ncc(cn1)OCC 62a_100000210623_100000099823 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.77 C=CCc1ccc(cc1)OCC#N 7a_100000078792_100011215382 [0,2,0,0,0,0|0,0,0]=2 5331 B13R1.77 C=CCc1ccc(cc1)OCC=O 34a_100000078792_200009817547 [0,2,0,0,0,0|0,0,0]=2 5332 B13R1.77 C=CCc1ccc(cc1)OCC=O 7a_100000078792_200015260668 [0,2,0,0,0,0|0,0,0]=2 5333 B13R1.77 C=CCc1ccc(cc1)OCCC 34a_100000078792_100000210303 [0,2,0,0,0,0|0,0,0]=2 5334 B13R1.77 C=CCc1ccc(cc1)OCCC 7a_100000078792_100000210303 [0,2,0,0,0,0|0,0,0]=2 5335 B13R1.77 C=CCc1ccc(cc1)OCCF 34a_100000078792_100011217306 [0,2,0,0,0,0|0,0,0]=2 5336 B13R1.77 C=CCc1ccc(cc1)OCCF 7a_100000078792_100011217306 [0,2,0,0,0,0|0,0,0]=2 5337 B13R1.77 C=CCc1ccc(cc1)OCCO 34a_100000078792_100000211926 [0,2,0,0,0,0|0,0,0]=2 5338 B13R1.77 C=CCc1ccc(cc1)OCCO 7a_100000078792_100000211926 [0,2,0,0,0,0|0,0,0]=2 5339 B13R1.77 C=CCc1ccc(cc1)OCSC 34a_100000078792_100011218213 [0,2,0,0,0,0|0,0,0]=2 5340 B13R1.77 C=COc1ccc(cc1)SCC#N 62a_100000704263_100011215382 [0,2,0,0,0,0|1,1,0]=4 5341 B13R1.77 C=COc1ccc(cc1)SCC#N 62a_100011215382_100000704263 [0,2,0,0,0,0|1,1,0]=4 5342 B13R1.77 C=COc1ccc(cc1)SCC=O 62a_100000704263_200015260668 [0,2,0,0,0,0|1,0,1]=4 5343 B13R1.77 C=COc1ccc(cc1)SCC=O 62a_200015260668_100000704263 [0,2,0,0,0,0|1,0,1]=4 5344 B13R1.77 C=COc1ccc(cc1)SCCC 62a_100000210303_100000704263 [0,2,0,0,0,0|1,1,0]=4 5345 B13R1.77 C=COc1ccc(cc1)SCCC 62a_100000704263_100000210303 [0,2,0,0,0,0|1,1,0]=4 5346 B13R1.77 C=COc1ccc(cc1)SCCF 62a_100000704263_100011217306 [0,2,0,0,0,0|1,1,0]=4 5347 B13R1.77 C=COc1ccc(cc1)SCCF 62a_100011217306_100000704263 [0,2,0,0,0,0|1,1,0]=4 5348 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000211926_100000704263 [0,2,0,0,0,0|1,1,0]=4 5349 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000704263_100000211926 [0,2,0,0,0,0|1,1,0]=4 5350 B13R1.77 C=COc1ccc(cc1)SCOC 62a_100000704263_100000766300 [0,2,0,0,0,0|1,0,0]=3 5351 B13R1.77 C=COc1ccc(cc1)SCOC 62a_100000766300_100000704263 [0,2,0,0,0,0|1,0,0]=3 5352 B13R1.77 C=COc1ccc(cc1)SCSC 62a_100000704263_100011218213 [0,2,0,0,0,0|1,1,0]=4 5353 B13R1.77 C=COc1ccc(cc1)SCSC 62a_100011218213_100000704263 [0,2,0,0,0,0|1,1,0]=4 5354 B13R1.77 CC=Cc1ccc(cc1)C=COC 271570a_100016259895_100020630460 [0,2,0,0,0,0|0,0,2]=4 5355 B13R1.77 CC=Cc1ccc(cc1)CCC=O 271570a_100016259895_100011361538 [0,2,0,0,0,0|1,0,1]=4 5356 B13R1.77 CC=Cc1ccc(cc1)CCOC 271570a_100016259895_100000739703 [0,2,0,0,0,0|0,0,2]=4 5357 B13R1.77 CC=Cc1ccc(cc1)COCC 271570a_100016259895_100000758564 [0,2,0,0,0,0|0,0,2]=4 5358 B13R1.77 CC=Cc1ccc(cc1)OCC#N 271570a_100016259895_200000169425 [0,2,0,0,0,0|0,0,2]=4 5359 B13R1.77 CC=Cc1ccc(cc1)OCCC 271570a_100016259895_100000169948 [0,2,0,0,0,0|0,0,2]=4 5360 B13R1.77 CC=Cc1ccc(cc1)OCCF 271570a_100016259895_100012347556 [0,2,0,0,0,0|0,0,2]=4 5361 B13R1.77 CC=Cc1ccc(cc1)OCCN 271570a_100016259895_100000746992 [0,2,0,0,0,0|0,0,2]=4 5362 B13R1.77 CC=Cc1ccc(cc1)OCCO 271570a_100016259895_100000686261 [0,2,0,0,0,0|0,0,2]=4 5363 B13R1.77 CC=Cc1ccc(cc1)OCOC 271570a_100016259895_100012265687 [0,2,0,0,0,0|0,0,2]=4 5364 B13R1.77 CC=NNc1ccc(cc1)OCC 4a_100000738955_200000210099 [0,2,0,0,0,0|1,0,1]=4 5365 B13R1.77 CCCCc1ccc(cc1)CC=O 271570a_100020621405_100011361690 [0,2,0,0,0,0|2,0,0]=4 5366 B13R1.77 CCCCc1ccc(cc1)COC 271570a_100020621405_100011493685 [0,2,0,0,0,0|0,0,2]=4 5367 B13R1.77 CCCCc1ccc(cc1)COC 34a_100138415774_100011934885 [0,2,0,0,0,0|0,0,2]=4 5368 B13R1.77 CCCCc1ccc(cc1)COC 34a_200011217888_200000210301 [0,2,0,0,0,0|0,0,2]=4 5369 B13R1.77 CCCCc1ccc(cc1)COC 7a_200011217888_200000210301 [0,2,0,0,0,0|0,0,2]=4 5370 B13R1.77 CCCCc1ccc(cc1)CO[13CH3] 34a_200011217888_200025704644 [0,2,0,0,0,0|0,0,2]=4 5371 B13R1.77 CCCCc1ccc(cc1)CO[13CH3] 7a_200011217888_200025704644 [0,2,0,0,0,0|0,0,2]=4 5372 B13R1.77 CCCCc1ccc(cc1)OCC 271570a_100020621405_100000169946 [0,2,0,0,0,0|0,0,2]=4 5373 B13R1.77 CCCCc1ccc(cc1)OCC 34a_100011216022_100000210202 [0,2,0,0,0,0|0,0,2]=4 5374 B13R1.77 CCCCc1ccc(cc1)OCC 7a_100011216022_100000210202 [0,2,0,0,0,0|0,0,2]=4 5375 B13R1.77 CCCCc1ccc(cc1)OCF 34a_100011216022_100015361967 [0,2,0,0,0,0|0,0,2]=4 5376 B13R1.77 CCCCc1ccc(cc1)OCF 7a_100011216022_100015361967 [0,2,0,0,0,0|0,0,2]=4 5377 B13R1.77 CCCNc1ccc(cc1)COC 34a_100000694113_100000210303 [0,2,0,0,0,0|0,0,2]=4 5378 B13R1.77 CCCNc1ccc(cc1)OCC 2230a_100000739623_100000210303 [0,2,0,0,0,0|0,0,2]=4 5379 B13R1.77 CCCNc1ccc(cc1)OCC 34a_100000739623_100000210303 [0,2,0,0,0,0|0,0,2]=4 5380 B13R1.77 CCCOc1ccc(cc1)CC#N 34a_100000198970_100000210303 [0,2,0,0,0,0|1,0,1]=4 5381 B13R1.77 CCCOc1ccc(cc1)CC#N 7a_100000198970_100000210303 [0,2,0,0,0,0|1,0,1]=4 5382 B13R1.77 CCCOc1ccc(cc1)CCBr 34a_100009816426_100000210303 [0,2,0,0,0,0|1,0,1]=4 5383 B13R1.77 CCCOc1ccc(cc1)CCBr 7a_100009816426_100000210303 [0,2,0,0,0,0|1,0,1]=4 5384 B13R1.77 CCCOc1ccc(cc1)CCC 34a_100000749406_100000210303 [0,2,0,0,0,0|0,0,2]=4 5385 B13R1.77 CCCOc1ccc(cc1)CCC 7a_100000749406_100000210303 [0,2,0,0,0,0|0,0,2]=4 5386 B13R1.77 CCCOc1ccc(cc1)CCN 34a_100000743037_100000210303 [0,2,0,0,0,0|1,0,1]=4 5387 B13R1.77 CCCOc1ccc(cc1)CCO 34a_100011215338_100000210303 [0,2,0,0,0,0|1,0,1]=4 5388 B13R1.77 CCCOc1ccc(cc1)CCO 7a_100011215338_100000210303 [0,2,0,0,0,0|1,0,1]=4 5389 B13R1.77 CCCOc1ccc(cc1)CNC 207a_100102657272_100000169838 [0,2,0,0,0,0|1,0,1]=4 5390 B13R1.77 CCCOc1ccc(cc1)CNC 2230a_106832991635_100000691472 [0,2,0,0,0,0|1,0,1]=4 5391 B13R1.77 CCCOc1ccc(cc1)CNC 270004a_106832991635_100000169838 [0,2,0,0,0,0|1,0,1]=4 5392 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100000207500_100000210303 [0,2,0,0,0,0|1,0,1]=4 5393 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100102657272_100000691472 [0,2,0,0,0,0|1,0,1]=4 5394 B13R1.77 CCCOc1ccc(cc1)CNC 7a_106832991635_100000691472 [0,2,0,0,0,0|1,0,1]=4 5395 B13R1.77 CCCOc1ccc(cc1)COC 34a_100000173360_200000210301 [0,2,0,0,0,0|0,0,2]=4 5396 B13R1.77 CCCOc1ccc(cc1)COC 34a_100138415774_100000691472 [0,2,0,0,0,0|0,0,2]=4 5397 B13R1.77 CCCOc1ccc(cc1)COC 34a_200011995677_100000210303 [0,2,0,0,0,0|0,0,2]=4 5398 B13R1.77 CCCOc1ccc(cc1)COC 7a_100000173360_200000210301 [0,2,0,0,0,0|0,0,2]=4 5399 B13R1.77 CCCOc1ccc(cc1)COC 7a_200011995677_100000210303 [0,2,0,0,0,0|0,0,2]=4 5400 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 34a_100000173360_200025704644 [0,2,0,0,0,0|0,0,2]=4 5401 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 7a_100000173360_200025704644 [0,2,0,0,0,0|0,0,2]=4 5402 B13R1.77 CCCOc1ccc(cc1)CSC 62a_200000210301_100000691472 [0,2,0,0,0,0|1,0,1]=4 5403 B13R1.77 CCCOc1ccc(cc1)CS[13CH3] 62a_200025704644_100000691472 [0,2,0,0,0,0|1,0,1]=4 5404 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185467_100000210303 [0,2,0,0,0,0|0,0,2]=4 5405 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185468_100000210202 [0,2,0,0,0,0|0,0,2]=4 5406 B13R1.77 CCCOc1ccc(cc1)OCC 7a_100000185468_100000210202 [0,2,0,0,0,0|0,0,2]=4 5407 B13R1.77 CCCOc1ccc(cc1)OCF 34a_100000185468_100015361967 [0,2,0,0,0,0|0,0,2]=4 5408 B13R1.77 CCCOc1ccc(cc1)OCF 7a_100000185468_100015361967 [0,2,0,0,0,0|0,0,2]=4 5409 B13R1.77 CCCSc1ccc(cc1)CC=O 62a_100000210303_100011361690 [0,2,0,0,0,0|1,1,0]=4 5410 B13R1.77 CCCSc1ccc(cc1)CC=O 62a_100011361690_100000210303 [0,2,0,0,0,0|1,1,0]=4 5411 B13R1.77 CCCSc1ccc(cc1)COC 62a_100000210303_100011493685 [0,2,0,0,0,0|0,0,2]=4 5412 B13R1.77 CCCSc1ccc(cc1)COC 62a_100011493685_100000210303 [0,2,0,0,0,0|0,0,2]=4 5413 B13R1.77 CCCSc1ccc(cc1)OCC 62a_100000210303_100000171712 [0,2,0,0,0,0|0,0,2]=4 5414 B13R1.77 CCCc1ccc(cc1)COCC 34a_100121572206_100011982809 [0,2,0,0,0,0|0,0,2]=4 5415 B13R1.77 CCCc1ccc(cc1)NCC=O 2230a_100000211780_200015260668 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.77 CCCc1ccc(cc1)NCC=O 34a_100000211780_200009817547 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.77 CCCc1ccc(cc1)NCOC 2230a_100000211780_100000766300 [0,2,0,0,0,0|0,0,2]=4 5418 B13R1.77 CCCc1ccc(cc1)OCC#N 7a_100000749406_100011215382 [0,2,0,0,0,0|0,0,2]=4 5419 B13R1.77 CCCc1ccc(cc1)OCC=O 34a_100000749406_200009817547 [0,2,0,0,0,0|0,0,2]=4 5420 B13R1.77 CCCc1ccc(cc1)OCC=O 7a_100000749406_200015260668 [0,2,0,0,0,0|0,0,2]=4 5421 B13R1.77 CCCc1ccc(cc1)OCCF 34a_100000749406_100011217306 [0,2,0,0,0,0|0,0,2]=4 5422 B13R1.77 CCCc1ccc(cc1)OCCF 7a_100000749406_100011217306 [0,2,0,0,0,0|0,0,2]=4 5423 B13R1.77 CCCc1ccc(cc1)OCCO 34a_100000749406_100000211926 [0,2,0,0,0,0|0,0,2]=4 5424 B13R1.77 CCCc1ccc(cc1)OCCO 7a_100000749406_100000211926 [0,2,0,0,0,0|0,0,2]=4 5425 B13R1.77 CCCc1ccc(cc1)OCSC 34a_100000749406_100011218213 [0,2,0,0,0,0|0,0,2]=4 5426 B13R1.77 CCCc1ccc(cc1)SCC=O 62a_100000750032_200015260668 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.77 CCCc1ccc(cc1)SCC=O 62a_200015260668_100000750032 [0,2,0,0,0,0|2,0,0]=4 5428 B13R1.77 CCCc1ccc(cc1)SCOC 62a_100000750032_100000766300 [0,2,0,0,0,0|0,0,2]=4 5429 B13R1.77 CCCc1ccc(cc1)SCOC 62a_100000766300_100000750032 [0,2,0,0,0,0|0,0,2]=4 5430 B13R1.77 CCNCc1ccc(cc1)COC 2230a_100000738208_100000210202 [0,2,0,0,0,0|0,0,2]=4 5431 B13R1.77 CCNCc1ccc(cc1)COC 34a_100000738208_100000210202 [0,2,0,0,0,0|0,0,2]=4 5432 B13R1.77 CCNCc1ccc(cc1)OCC 207a_100015525214_100000169836 [0,2,0,0,0,0|0,0,2]=4 5433 B13R1.77 CCNCc1ccc(cc1)OCC 2230a_100000185588_100000210202 [0,2,0,0,0,0|0,0,2]=4 5434 B13R1.77 CCNCc1ccc(cc1)OCC 270004a_100015525214_100000169836 [0,2,0,0,0,0|0,0,2]=4 5435 B13R1.77 CCNCc1ccc(cc1)OCC 34a_100000185588_100000210202 [0,2,0,0,0,0|0,0,2]=4 5436 B13R1.77 CCNCc1ccc(cc1)OCC 34a_100000748449_100000210202 [0,2,0,0,0,0|0,0,2]=4 5437 B13R1.77 CCNCc1ccc(cc1)OCF 34a_100000748449_100015361967 [0,2,0,0,0,0|0,0,2]=4 5438 B13R1.77 CCNc1ccc(cc1)OCC=O 34a_100011337800_200009817547 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.77 CCNc1ccc(cc1)OCC=O 7a_100011337800_200015260668 [0,2,0,0,0,0|2,0,0]=4 5440 B13R1.77 CCNc1ccc(cc1)SCC=O 62a_200015260668_100000219632 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.77 CCOCc1ccc(cc1)CC#N 7a_100000695229_100000210202 [0,2,0,0,0,0|1,0,1]=4 5442 B13R1.77 CCOCc1ccc(cc1)CNC 2230a_100000737407_200000210301 [0,2,0,0,0,0|1,0,1]=4 5443 B13R1.77 CCOCc1ccc(cc1)CNC 34a_100000737407_200000210301 [0,2,0,0,0,0|1,0,1]=4 5444 B13R1.77 CCOCc1ccc(cc1)CN[13CH3] 2230a_100000737407_200025704644 [0,2,0,0,0,0|1,0,1]=4 5445 B13R1.77 CCOCc1ccc(cc1)CN[13CH3] 34a_100000737407_200025704644 [0,2,0,0,0,0|1,0,1]=4 5446 B13R1.77 CCOCc1ccc(cc1)OCC 34a_100000173027_100000210202 [0,2,0,0,0,0|0,0,2]=4 5447 B13R1.77 CCOCc1ccc(cc1)OCC 7a_100000173027_100000210202 [0,2,0,0,0,0|0,0,2]=4 5448 B13R1.77 CCOc1ccc(cc1)CCC#N 34a_200011217972_100000210202 [0,2,0,0,0,0|0,0,2]=4 5449 B13R1.77 CCOc1ccc(cc1)CCC#N 7a_200011217972_100000210202 [0,2,0,0,0,0|0,0,2]=4 5450 B13R1.77 CCOc1ccc(cc1)CCCO 34a_100011215268_100000210202 [0,2,0,0,0,0|0,0,2]=4 5451 B13R1.77 CCOc1ccc(cc1)CCCO 7a_100011215268_100000210202 [0,2,0,0,0,0|0,0,2]=4 5452 B13R1.77 CCOc1ccc(cc1)CCNC 2230a_100011194255_200000210301 [0,2,0,0,0,0|0,0,2]=4 5453 B13R1.77 CCOc1ccc(cc1)CCNC 34a_100011194255_200000210301 [0,2,0,0,0,0|0,0,2]=4 5454 B13R1.77 CCOc1ccc(cc1)CCNC 34a_100016989440_100000210202 [0,2,0,0,0,0|0,0,2]=4 5455 B13R1.77 CCOc1ccc(cc1)CCN[13CH3] 2230a_100011194255_200025704644 [0,2,0,0,0,0|0,0,2]=4 5456 B13R1.77 CCOc1ccc(cc1)CCN[13CH3] 34a_100011194255_200025704644 [0,2,0,0,0,0|0,0,2]=4 5457 B13R1.77 CCOc1ccc(cc1)CCOC 34a_100000211638_100000210202 [0,2,0,0,0,0|0,0,2]=4 5458 B13R1.77 CCOc1ccc(cc1)CCOC 34a_100011217992_200000210301 [0,2,0,0,0,0|0,0,2]=4 5459 B13R1.77 CCOc1ccc(cc1)CCOC 7a_100000211638_100000210202 [0,2,0,0,0,0|0,0,2]=4 5460 B13R1.77 CCOc1ccc(cc1)CCOC 7a_100011217992_200000210301 [0,2,0,0,0,0|0,0,2]=4 5461 B13R1.77 CCOc1ccc(cc1)CCO[13CH3] 34a_100011217992_200025704644 [0,2,0,0,0,0|0,0,2]=4 5462 B13R1.77 CCOc1ccc(cc1)CCO[13CH3] 7a_100011217992_200025704644 [0,2,0,0,0,0|0,0,2]=4 5463 B13R1.77 CCOc1ccc(cc1)CNCF 34a_100000185588_100015361967 [0,2,0,0,0,0|1,0,1]=4 5464 B13R1.77 CCOc1ccc(cc1)COCF 34a_100000173027_100015361967 [0,2,0,0,0,0|1,0,1]=4 5465 B13R1.77 CCOc1ccc(cc1)COCF 7a_100000173027_100015361967 [0,2,0,0,0,0|1,0,1]=4 5466 B13R1.77 CCOc1ccc(cc1)NCC#N 2230a_100000739623_100011215382 [0,2,0,0,0,0|1,0,1]=4 5467 B13R1.77 CCOc1ccc(cc1)NCC=O 2230a_100000739623_200015260668 [0,2,0,0,0,0|1,0,0]=3 5468 B13R1.77 CCOc1ccc(cc1)NCC=O 34a_100000739623_200009817547 [0,2,0,0,0,0|1,0,0]=3 5469 B13R1.77 CCOc1ccc(cc1)NCCF 2230a_100000739623_100011217306 [0,2,0,0,0,0|1,0,1]=4 5470 B13R1.77 CCOc1ccc(cc1)NCCF 34a_100000739623_100011217306 [0,2,0,0,0,0|1,0,1]=4 5471 B13R1.77 CCOc1ccc(cc1)NCCO 2230a_100000739623_100000211926 [0,2,0,0,0,0|1,0,1]=4 5472 B13R1.77 CCOc1ccc(cc1)NCCO 34a_100000739623_100000211926 [0,2,0,0,0,0|1,0,1]=4 5473 B13R1.77 CCOc1ccc(cc1)NCOC 2230a_100000739623_100000766300 [0,2,0,0,0,0|1,0,1]=4 5474 B13R1.77 CCOc1ccc(cc1)NCSC 2230a_100000739623_100011218213 [0,2,0,0,0,0|1,0,1]=4 5475 B13R1.77 CCOc1ccc(cc1)NCSC 34a_100000739623_100011218213 [0,2,0,0,0,0|1,0,1]=4 5476 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [0,2,0,0,0,0|1,0,0]=3 5477 B13R1.77 CCOc1ccc(cc1)OCCF 34a_100000185467_100011217306 [0,2,0,0,0,0|1,0,1]=4 5478 B13R1.77 CCOc1ccc(cc1)OCCO 34a_100000185467_100000211926 [0,2,0,0,0,0|1,0,1]=4 5479 B13R1.77 CCOc1ccc(cc1)OCOC 34a_200012265912_100000210202 [0,2,0,0,0,0|1,0,1]=4 5480 B13R1.77 CCOc1ccc(cc1)OCSC 34a_100000185467_100011218213 [0,2,0,0,0,0|1,0,1]=4 5481 B13R1.77 CCOc1ccc(cc1)SCC#N 62a_100011215382_100000171712 [0,2,0,0,0,0|1,0,1]=4 5482 B13R1.77 CCOc1ccc(cc1)SCC=O 62a_200015260668_100000171712 [0,2,0,0,0,0|1,0,0]=3 5483 B13R1.77 CCOc1ccc(cc1)SCCF 62a_100011217306_100000171712 [0,2,0,0,0,0|1,0,1]=4 5484 B13R1.77 CCOc1ccc(cc1)SCCO 62a_100000211926_100000171712 [0,2,0,0,0,0|1,0,1]=4 5485 B13R1.77 CCOc1ccc(cc1)SCOC 62a_100000766300_100000171712 [0,2,0,0,0,0|1,0,1]=4 5486 B13R1.77 CCOc1ccc(cc1)SCSC 62a_100011218213_100000171712 [0,2,0,0,0,0|1,0,1]=4 5487 B13R1.77 CCOc1ccc(cn1)SCC=O 62a_100011219444_200015260668 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.77 CCOc1ccc(cn1)SCC=O 62a_200015260668_100011219444 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.77 CCOc1ccc(nc1)SCC=O 62a_100012355646_200015260668 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.77 CCOc1ccc(nc1)SCC=O 62a_200015260668_100000753957 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100000210202_100016291818 [0,2,0,0,0,0|0,1,1]=4 5492 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210202 [0,2,0,0,0,0|0,1,1]=4 5493 B13R1.77 CCSc1ccc(cc1)CCC=O 62a_100000210202_100011361538 [0,2,0,0,0,0|0,1,1]=4 5494 B13R1.77 CCSc1ccc(cc1)CCC=O 62a_100011361538_100000210202 [0,2,0,0,0,0|0,1,1]=4 5495 B13R1.77 CCSc1ccc(cc1)NCC=O 34a_100015187087_200009817547 [0,2,0,0,0,0|1,1,0]=4 5496 B13R1.77 CCSc1ccc(cc1)SCC=O 62a_200009811893_200015260668 [0,2,0,0,0,0|1,1,0]=4 5497 B13R1.77 CCSc1ccc(cc1)SCC=O 62a_200015260668_200009811893 [0,2,0,0,0,0|1,1,0]=4 5498 B13R1.77 CNCCc1ccc(cc1)OCF 34a_100016989440_100015361967 [0,2,0,0,0,0|0,0,2]=4 5499 B13R1.77 CNCc1ccc(cc1)CCOC 26a_100102657272_100000211638 [0,2,0,0,0,0|1,0,1]=4 5500 B13R1.77 CNCc1ccc(cc1)OCC#N 207a_100102657272_100000169417 [0,2,0,0,0,0|1,0,1]=4 5501 B13R1.77 CNCc1ccc(cc1)OCC#N 270004a_106832991635_100000169417 [0,2,0,0,0,0|1,0,1]=4 5502 B13R1.77 CNCc1ccc(cc1)OCC=O 34a_100000207500_200009817547 [0,2,0,0,0,0|1,0,1]=4 5503 B13R1.77 CNCc1ccc(cc1)OCCF 34a_100000207500_100011217306 [0,2,0,0,0,0|1,0,1]=4 5504 B13R1.77 CNCc1ccc(cc1)OCCO 207a_100102657272_100011219967 [0,2,0,0,0,0|1,0,1]=4 5505 B13R1.77 CNCc1ccc(cc1)OCCO 270004a_106832991635_100011219967 [0,2,0,0,0,0|1,0,1]=4 5506 B13R1.77 CNCc1ccc(cc1)OCCO 34a_100000207500_100000211926 [0,2,0,0,0,0|1,0,1]=4 5507 B13R1.77 CNCc1ccc(cc1)OCSC 34a_100000207500_100011218213 [0,2,0,0,0,0|1,0,1]=4 5508 B13R1.77 CNCc1ccc(cc1)SCC=O 62a_100000180866_200015260668 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.77 CNCc1ccc(cc1)SCC=O 62a_200015260668_100000180866 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.77 CNCc1ccc(cc1)SCOC 62a_100000180866_100000766300 [0,2,0,0,0,0|1,0,1]=4 5511 B13R1.77 CNCc1ccc(cc1)SCOC 62a_100000766300_100000180866 [0,2,0,0,0,0|1,0,1]=4 5512 B13R1.77 COCCc1ccc(cc1)OCF 34a_100000211638_100015361967 [0,2,0,0,0,0|0,0,2]=4 5513 B13R1.77 COCCc1ccc(cc1)OCF 7a_100000211638_100015361967 [0,2,0,0,0,0|0,0,2]=4 5514 B13R1.77 COCNc1ccc(cc1)CCO 2230a_100011204434_100000766300 [0,2,0,0,0,0|1,0,1]=4 5515 B13R1.77 COCNc1ccc(cc1)CSC 2230a_106726388226_100000766300 [0,2,0,0,0,0|1,0,1]=4 5516 B13R1.77 COCOc1ccc(cc1)OCF 34a_200012265912_100015361967 [0,2,0,0,0,0|1,0,1]=4 5517 B13R1.77 COCSc1ccc(cc1)/C=C/Br 62a_100000766300_200016255901 [0,2,0,0,0,0|1,0,1]=4 5518 B13R1.77 COCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000766300 [0,2,0,0,0,0|1,0,1]=4 5519 B13R1.77 COCSc1ccc(cc1)CC#N 62a_100000766300_100011217881 [0,2,0,0,0,0|1,0,1]=4 5520 B13R1.77 COCSc1ccc(cc1)CC#N 62a_100011217881_100000766300 [0,2,0,0,0,0|1,0,1]=4 5521 B13R1.77 COCSc1ccc(cc1)CC=O 62a_100000766300_100011361690 [0,2,0,0,0,0|1,0,0]=3 5522 B13R1.77 COCSc1ccc(cc1)CC=O 62a_100011361690_100000766300 [0,2,0,0,0,0|1,0,0]=3 5523 B13R1.77 COCSc1ccc(cc1)CCN 62a_100000755846_100000766300 [0,2,0,0,0,0|1,0,1]=4 5524 B13R1.77 COCSc1ccc(cc1)CCN 62a_100000766300_100000755846 [0,2,0,0,0,0|1,0,1]=4 5525 B13R1.77 COCSc1ccc(cc1)CCO 62a_100000766300_100000766406 [0,2,0,0,0,0|1,0,1]=4 5526 B13R1.77 COCSc1ccc(cc1)CCO 62a_100000766406_100000766300 [0,2,0,0,0,0|1,0,1]=4 5527 B13R1.77 COCSc1ccc(cc1)CNN 62a_100000766300_100016993955 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.77 COCSc1ccc(cc1)CNN 62a_100016993955_100000766300 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.77 COCSc1ccc(cc1)COC 62a_100000766300_100011493685 [0,2,0,0,0,0|1,0,1]=4 5530 B13R1.77 COCSc1ccc(cc1)COC 62a_100011493685_100000766300 [0,2,0,0,0,0|1,0,1]=4 5531 B13R1.77 COCc1ccc(cc1)CNCF 34a_100000738208_100015361967 [0,2,0,0,0,0|1,0,1]=4 5532 B13R1.77 COCc1ccc(cc1)NCC=O 34a_100000694113_200009817547 [0,2,0,0,0,0|1,0,0]=3 5533 B13R1.77 COCc1ccc(cc1)NCCF 34a_100000694113_100011217306 [0,2,0,0,0,0|1,0,1]=4 5534 B13R1.77 COCc1ccc(cc1)NCCO 34a_100000694113_100000211926 [0,2,0,0,0,0|1,0,1]=4 5535 B13R1.77 COCc1ccc(cc1)NCSC 34a_100000694113_100011218213 [0,2,0,0,0,0|1,0,1]=4 5536 B13R1.77 COCc1ccc(cc1)OCC#N 7a_200011995677_100011215382 [0,2,0,0,0,0|1,0,1]=4 5537 B13R1.77 COCc1ccc(cc1)OCC=O 34a_200011995677_200009817547 [0,2,0,0,0,0|1,0,0]=3 5538 B13R1.77 COCc1ccc(cc1)OCC=O 7a_200011995677_200015260668 [0,2,0,0,0,0|1,0,0]=3 5539 B13R1.77 COCc1ccc(cc1)OCCF 34a_200011995677_100011217306 [0,2,0,0,0,0|1,0,1]=4 5540 B13R1.77 COCc1ccc(cc1)OCCF 7a_200011995677_100011217306 [0,2,0,0,0,0|1,0,1]=4 5541 B13R1.77 COCc1ccc(cc1)OCCO 34a_200011995677_100000211926 [0,2,0,0,0,0|1,0,1]=4 5542 B13R1.77 COCc1ccc(cc1)OCCO 7a_200011995677_100000211926 [0,2,0,0,0,0|1,0,1]=4 5543 B13R1.77 COCc1ccc(cc1)OCSC 34a_200011995677_100011218213 [0,2,0,0,0,0|1,0,1]=4 5544 B13R1.77 COCc1ccc(cc1)SCC#N 62a_100011215382_100011493685 [0,2,0,0,0,0|1,0,1]=4 5545 B13R1.77 COCc1ccc(cc1)SCC#N 62a_100011493685_100011215382 [0,2,0,0,0,0|1,0,1]=4 5546 B13R1.77 COCc1ccc(cc1)SCC=O 62a_100011493685_200015260668 [0,2,0,0,0,0|1,0,0]=3 5547 B13R1.77 COCc1ccc(cc1)SCC=O 62a_200015260668_100011493685 [0,2,0,0,0,0|1,0,0]=3 5548 B13R1.77 COCc1ccc(cc1)SCCF 62a_100011217306_100011493685 [0,2,0,0,0,0|1,0,1]=4 5549 B13R1.77 COCc1ccc(cc1)SCCF 62a_100011493685_100011217306 [0,2,0,0,0,0|1,0,1]=4 5550 B13R1.77 COCc1ccc(cc1)SCCO 62a_100000211926_100011493685 [0,2,0,0,0,0|1,0,1]=4 5551 B13R1.77 COCc1ccc(cc1)SCCO 62a_100011493685_100000211926 [0,2,0,0,0,0|1,0,1]=4 5552 B13R1.77 COCc1ccc(cc1)SCSC 62a_100011218213_100011493685 [0,2,0,0,0,0|1,0,1]=4 5553 B13R1.77 COCc1ccc(cc1)SCSC 62a_100011493685_100011218213 [0,2,0,0,0,0|1,0,1]=4 5554 B13R1.77 CSCOc1ccc(cc1)CC#N 34a_100000198970_100011218213 [0,2,0,0,0,0|1,0,1]=4 5555 B13R1.77 CSCOc1ccc(cc1)CCBr 34a_100009816426_100011218213 [0,2,0,0,0,0|1,0,1]=4 5556 B13R1.77 CSCOc1ccc(cc1)CCN 34a_100000743037_100011218213 [0,2,0,0,0,0|1,0,1]=4 5557 B13R1.77 CSCOc1ccc(cc1)CCO 34a_100011215338_100011218213 [0,2,0,0,0,0|1,0,1]=4 5558 B13R1.77 CSCSc1ccc(cc1)CC=O 62a_100011218213_100011361690 [0,2,0,0,0,0|1,1,0]=4 5559 B13R1.77 CSCSc1ccc(cc1)CC=O 62a_100011361690_100011218213 [0,2,0,0,0,0|1,1,0]=4 5560 B13R1.77 CSCc1ccc(cc1)NCC=O 2230a_106726388226_200015260668 [0,2,0,0,0,0|1,1,0]=4 5561 B13R1.77 CSCc1ccc(cc1)NCC=O 34a_106726388226_200009817547 [0,2,0,0,0,0|1,1,0]=4 5562 B13R1.77 CSCc1ccc(cc1)NCC=O 7a_106726388226_200015260668 [0,2,0,0,0,0|1,1,0]=4 5563 B13R1.77 FCCOc1ccc(cc1)CCBr 34a_100009816426_100011217306 [0,2,0,0,0,0|1,0,1]=4 5564 B13R1.77 FCCOc1ccc(cc1)CCBr 7a_100009816426_100011217306 [0,2,0,0,0,0|1,0,1]=4 5565 B13R1.77 N#CCCc1ccc(cc1)OCF 34a_200011217972_100015361967 [0,2,0,0,0,0|0,0,2]=4 5566 B13R1.77 N#CCCc1ccc(cc1)OCF 7a_200011217972_100015361967 [0,2,0,0,0,0|0,0,2]=4 5567 B13R1.77 N#CCOc1ccc(cc1)CC#N 7a_100000198970_100011215382 [0,2,0,0,0,0|1,0,1]=4 5568 B13R1.77 N#CCOc1ccc(cc1)CCBr 7a_100009816426_100011215382 [0,2,0,0,0,0|1,0,1]=4 5569 B13R1.77 N#CCOc1ccc(cc1)CCO 7a_100011215338_100011215382 [0,2,0,0,0,0|1,0,1]=4 5570 B13R1.77 N#CCSc1ccc(cc1)CC=O 62a_100011215382_100011361690 [0,2,0,0,0,0|1,1,0]=4 5571 B13R1.77 N#CCSc1ccc(cc1)CC=O 62a_100011361690_100011215382 [0,2,0,0,0,0|1,1,0]=4 5572 B13R1.77 N#CCc1ccc(cc1)COCF 7a_100000695229_100015361967 [0,2,0,0,0,0|1,0,1]=4 5573 B13R1.77 N#CCc1ccc(cc1)OCC=O 34a_100000198970_200009817547 [0,2,0,0,0,0|1,0,1]=4 5574 B13R1.77 N#CCc1ccc(cc1)OCC=O 7a_100000198970_200015260668 [0,2,0,0,0,0|1,0,1]=4 5575 B13R1.77 N#CCc1ccc(cc1)OCCF 34a_100000198970_100011217306 [0,2,0,0,0,0|1,0,1]=4 5576 B13R1.77 N#CCc1ccc(cc1)OCCF 7a_100000198970_100011217306 [0,2,0,0,0,0|1,0,1]=4 5577 B13R1.77 N#CCc1ccc(cc1)OCCO 34a_100000198970_100000211926 [0,2,0,0,0,0|1,0,1]=4 5578 B13R1.77 N#CCc1ccc(cc1)OCCO 7a_100000198970_100000211926 [0,2,0,0,0,0|1,0,1]=4 5579 B13R1.77 NCCc1ccc(cc1)OCC=O 34a_100000743037_200009817547 [0,2,0,0,0,0|1,0,1]=4 5580 B13R1.77 NCCc1ccc(cc1)OCCF 34a_100000743037_100011217306 [0,2,0,0,0,0|1,0,1]=4 5581 B13R1.77 NCCc1ccc(cc1)OCCO 34a_100000743037_100000211926 [0,2,0,0,0,0|1,0,1]=4 5582 B13R1.77 NCCc1ccc(cc1)SCC=O 62a_100000755846_200015260668 [0,2,0,0,0,0|2,0,0]=4 5583 B13R1.77 NCCc1ccc(cc1)SCC=O 62a_200015260668_100000755846 [0,2,0,0,0,0|2,0,0]=4 5584 B13R1.77 O=C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016291818 [0,2,0,0,0,0|0,1,1]=4 5585 B13R1.77 O=C/C=C/c1ccc(cc1)SCF 62a_100016291818_100015361967 [0,2,0,0,0,0|0,1,1]=4 5586 B13R1.77 O=CCCc1ccc(cc1)SCF 62a_100011361538_100015361967 [0,2,0,0,0,0|0,1,1]=4 5587 B13R1.77 O=CCCc1ccc(cc1)SCF 62a_100015361967_100011361538 [0,2,0,0,0,0|0,1,1]=4 5588 B13R1.77 O=CCNc1ccc(cc1)CCO 2230a_100011204434_200015260668 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.77 O=CCNc1ccc(cc1)CCO 34a_100011204434_200009817547 [0,2,0,0,0,0|2,0,0]=4 5590 B13R1.77 O=CCOc1ccc(cc1)CCBr 34a_100009816426_200009817547 [0,2,0,0,0,0|1,0,1]=4 5591 B13R1.77 O=CCOc1ccc(cc1)CCBr 7a_100009816426_200015260668 [0,2,0,0,0,0|1,0,1]=4 5592 B13R1.77 O=CCOc1ccc(cc1)CCO 34a_100011215338_200009817547 [0,2,0,0,0,0|1,0,1]=4 5593 B13R1.77 O=CCOc1ccc(cc1)CCO 7a_100011215338_200015260668 [0,2,0,0,0,0|1,0,1]=4 5594 B13R1.77 O=CCSc1ccc(cc1)CC=O 62a_100011361690_200015260668 [0,2,0,0,0,0|1,1,0]=4 5595 B13R1.77 O=CCSc1ccc(cc1)CC=O 62a_200015260668_100011361690 [0,2,0,0,0,0|1,1,0]=4 5596 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_100000766406_200015260668 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_200015260668_100000766406 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.77 O=CCc1ccc(cc1)SCCF 62a_100011217306_100011361690 [0,2,0,0,0,0|1,1,0]=4 5599 B13R1.77 O=CCc1ccc(cc1)SCCF 62a_100011361690_100011217306 [0,2,0,0,0,0|1,1,0]=4 5600 B13R1.77 O=CCc1ccc(cc1)SCCO 62a_100000211926_100011361690 [0,2,0,0,0,0|1,1,0]=4 5601 B13R1.77 O=CCc1ccc(cc1)SCCO 62a_100011361690_100000211926 [0,2,0,0,0,0|1,1,0]=4 5602 B13R1.77 OCCCc1ccc(cc1)OCF 34a_100011215268_100015361967 [0,2,0,0,0,0|0,0,2]=4 5603 B13R1.77 OCCCc1ccc(cc1)OCF 7a_100011215268_100015361967 [0,2,0,0,0,0|0,0,2]=4 5604 B13R1.77 OCCOc1ccc(cc1)CCBr 34a_100009816426_100000211926 [0,2,0,0,0,0|1,0,1]=4 5605 B13R1.77 OCCOc1ccc(cc1)CCBr 7a_100009816426_100000211926 [0,2,0,0,0,0|1,0,1]=4 5606 B13R1.77 OCCOc1ccc(cc1)CCO 34a_100011215338_100000211926 [0,2,0,0,0,0|1,0,1]=4 5607 B13R1.77 OCCOc1ccc(cc1)CCO 7a_100011215338_100000211926 [0,2,0,0,0,0|1,0,1]=4 5608 B13R1.77 OCCc1ccc(cc1)OCCF 34a_100011215338_100011217306 [0,2,0,0,0,0|1,0,1]=4 5609 B13R1.77 OCCc1ccc(cc1)OCCF 7a_100011215338_100011217306 [0,2,0,0,0,0|1,0,1]=4 5610 B13R1.371 C#CCCNc1ccc(cc1)OC 34a_100000184247_100000688953 [0,2,0,0,0,0|0,0,2]=4 5611 B13R1.371 C#CCCOc1ccc(cc1)OC 34a_100000210503_100000688953 [0,2,0,0,0,0|0,0,2]=4 5612 B13R1.371 C#CCCSc1ccc(cc1)OC 62a_100000688953_100000171711 [0,2,0,0,0,0|0,0,2]=4 5613 B13R1.371 C#CCNCc1ccc(cc1)OC 34a_100000185587_100000184674 [0,2,0,0,0,0|0,0,2]=4 5614 B13R1.371 C#CCNCc1ccc(cc1)OC 34a_100000212058_100000742318 [0,2,0,0,0,0|0,0,2]=4 5615 B13R1.371 C#CCOCc1ccc(cc1)OC 34a_100000173359_100000184674 [0,2,0,0,0,0|0,0,2]=4 5616 B13R1.371 C#CCOCc1ccc(cc1)OC 34a_100000210247_100000742318 [0,2,0,0,0,0|0,0,2]=4 5617 B13R1.371 C#CCSCc1ccc(cc1)OC 62a_100000038162_100000742318 [0,2,0,0,0,0|0,0,2]=4 5618 B13R1.371 C#Cc1ccc(cc1)CNCC=C 2230a_100015199678_100000210623 [0,2,0,0,0,0|1,0,1]=4 5619 B13R1.371 C#Cc1ccc(cc1)CNCC=C 2230a_100020586998_100000140223 [0,2,0,0,0,0|1,0,1]=4 5620 B13R1.371 C#Cc1ccc(cc1)CNCC=C 270004a_100020586998_100011361452 [0,2,0,0,0,0|1,0,1]=4 5621 B13R1.371 C#Cc1ccc(cc1)CNCC=C 34a_100015199678_100015514636 [0,2,0,0,0,0|1,0,1]=4 5622 B13R1.371 C#Cc1ccc(cc1)COCC=C 34a_100000054647_100015514636 [0,2,0,0,0,0|1,0,1]=4 5623 B13R1.371 C#Cc1ccc(cc1)COCC=C 34a_200000210373_100000140223 [0,2,0,0,0,0|1,0,1]=4 5624 B13R1.371 C#Cc1ccc(cc1)COCC=C 7a_100000054647_100015514636 [0,2,0,0,0,0|1,0,1]=4 5625 B13R1.371 C#Cc1ccc(cc1)CSCC=C 62a_100000210623_100000140223 [0,2,0,0,0,0|1,0,1]=4 5626 B13R1.371 C#Cc1ccc(cc1)NC/C=C/C 34a_100011215031_100102629194 [0,2,0,0,0,0|1,0,1]=4 5627 B13R1.371 C#Cc1ccc(cc1)NCC=CC 34a_100011215031_100000070051 [0,2,0,0,0,0|1,0,1]=4 5628 B13R1.371 C#Cc1ccc(cc1)NCCC=C 34a_100011215031_100000754431 [0,2,0,0,0,0|1,0,1]=4 5629 B13R1.371 C/C=C/CNc1ccc(cc1)C#N 34a_100000185469_100102629194 [0,2,0,0,0,0|2,0,0]=4 5630 B13R1.371 C/C=C/CNc1ccc(cc1)CC 34a_100000211069_100102629194 [0,2,0,0,0,0|1,0,0]=3 5631 B13R1.371 C/C=C/CNc1ccc(cc1)CO 34a_100011215238_100102629194 [0,2,0,0,0,0|2,0,0]=4 5632 B13R1.371 C/C=C/CNc1ccc(cc1)OC 34a_100000184247_100102629194 [0,2,0,0,0,0|0,0,0]=2 5633 B13R1.371 C/C=C/CNc1ccc(cc1)SC 34a_100000212337_100102629194 [0,2,0,0,0,0|0,1,0]=3 5634 B13R1.371 C/C=C/COc1ccc(cc1)C#N 34a_100000210344_100102629194 [0,2,0,0,0,0|2,0,0]=4 5635 B13R1.371 C/C=C/COc1ccc(cc1)C#N 7a_100000210344_100102629194 [0,2,0,0,0,0|2,0,0]=4 5636 B13R1.371 C/C=C/COc1ccc(cc1)CC 34a_100000211359_100102629194 [0,2,0,0,0,0|1,0,0]=3 5637 B13R1.371 C/C=C/COc1ccc(cc1)CC 7a_100000211359_100102629194 [0,2,0,0,0,0|1,0,0]=3 5638 B13R1.371 C/C=C/COc1ccc(cc1)CN 34a_100000185549_100102629194 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.371 C/C=C/COc1ccc(cc1)CO 34a_100000211755_100102629194 [0,2,0,0,0,0|2,0,0]=4 5640 B13R1.371 C/C=C/COc1ccc(cc1)NC 34a_100000182112_100102629194 [0,2,0,0,0,0|1,0,0]=3 5641 B13R1.371 C/C=C/COc1ccc(cc1)OC 34a_100000210503_100102629194 [0,2,0,0,0,0|0,0,0]=2 5642 B13R1.371 C/C=C/COc1ccc(cc1)SC 34a_100000211864_100102629194 [0,2,0,0,0,0|0,1,0]=3 5643 B13R1.371 C/C=C/COc1ccc(cn1)OC 34a_100012002028_100102629194 [0,2,0,0,0,0|1,0,0]=3 5644 B13R1.371 C/C=C/COc1ccc(nc1)OC 34a_100011934560_100102629194 [0,2,0,0,0,0|1,0,0]=3 5645 B13R1.371 C/C=C/COc1cnc(nc1)OC 34a_100000099601_100102629194 [0,2,0,0,0,0|2,0,0]=4 5646 B13R1.371 C/C=C/COc1cnc(nc1)OC 7a_100000099601_100102629194 [0,2,0,0,0,0|2,0,0]=4 5647 B13R1.371 C/C=C/CSc1ccc(cc1)C#N 62a_100102629194_100000184291 [0,2,0,0,0,0|2,0,0]=4 5648 B13R1.371 C/C=C/CSc1ccc(cc1)C=O 62a_100000188517_100102629194 [0,2,0,0,0,0|2,0,0]=4 5649 B13R1.371 C/C=C/CSc1ccc(cc1)C=O 62a_100102629194_100000188517 [0,2,0,0,0,0|2,0,0]=4 5650 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100011215824_100102629194 [0,2,0,0,0,0|1,0,0]=3 5651 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100102629194_100011215824 [0,2,0,0,0,0|1,0,0]=3 5652 B13R1.371 C/C=C/CSc1ccc(cc1)CF 62a_100010268989_100102629194 [0,2,0,0,0,0|2,0,0]=4 5653 B13R1.371 C/C=C/CSc1ccc(cc1)CF 62a_100102629194_100010268989 [0,2,0,0,0,0|2,0,0]=4 5654 B13R1.371 C/C=C/CSc1ccc(cc1)CN 62a_100016989417_100102629194 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.371 C/C=C/CSc1ccc(cc1)CN 62a_100102629194_100016989417 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.371 C/C=C/CSc1ccc(cc1)CO 62a_100000690907_100102629194 [0,2,0,0,0,0|2,0,0]=4 5657 B13R1.371 C/C=C/CSc1ccc(cc1)CO 62a_100102629194_100000690907 [0,2,0,0,0,0|2,0,0]=4 5658 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100000743151_100102629194 [0,2,0,0,0,0|1,0,0]=3 5659 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100102629194_100000743151 [0,2,0,0,0,0|1,0,0]=3 5660 B13R1.371 C/C=C/CSc1ccc(cc1)NN 62a_100016988836_100102629194 [0,2,0,0,0,0|2,0,0]=4 5661 B13R1.371 C/C=C/CSc1ccc(cc1)NN 62a_100102629194_100016988836 [0,2,0,0,0,0|2,0,0]=4 5662 B13R1.371 C/C=C/CSc1ccc(cc1)OC 62a_100102629194_100000171711 [0,2,0,0,0,0|0,0,0]=2 5663 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100011263217_100102629194 [0,2,0,0,0,0|0,1,0]=3 5664 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100102629194_100011263217 [0,2,0,0,0,0|0,1,0]=3 5665 B13R1.371 C/C=C/CSc1ccc(cn1)CC 62a_100009843584_100102629194 [0,2,0,0,0,0|2,0,0]=4 5666 B13R1.371 C/C=C/CSc1ccc(cn1)CC 62a_100102629194_100009843584 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.371 C/C=C/CSc1ccc(cn1)NC 62a_100000764248_100102629194 [0,2,0,0,0,0|2,0,0]=4 5668 B13R1.371 C/C=C/CSc1ccc(cn1)NC 62a_100102629194_100000764248 [0,2,0,0,0,0|2,0,0]=4 5669 B13R1.371 C/C=C/CSc1ccc(cn1)OC 62a_100000755202_100102629194 [0,2,0,0,0,0|1,0,0]=3 5670 B13R1.371 C/C=C/CSc1ccc(cn1)OC 62a_100102629194_100000744180 [0,2,0,0,0,0|1,0,0]=3 5671 B13R1.371 C/C=C/CSc1ccc(cn1)SC 62a_100009820866_100102629194 [0,2,0,0,0,0|1,1,0]=4 5672 B13R1.371 C/C=C/CSc1ccc(cn1)SC 62a_100102629194_100009820866 [0,2,0,0,0,0|1,1,0]=4 5673 B13R1.371 C/C=C/CSc1ccc(nc1)CC 62a_100009820025_100102629194 [0,2,0,0,0,0|2,0,0]=4 5674 B13R1.371 C/C=C/CSc1ccc(nc1)CC 62a_100102629194_100009820025 [0,2,0,0,0,0|2,0,0]=4 5675 B13R1.371 C/C=C/CSc1ccc(nc1)NC 62a_100000741341_100102629194 [0,2,0,0,0,0|2,0,0]=4 5676 B13R1.371 C/C=C/CSc1ccc(nc1)NC 62a_100102629194_100000741341 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.371 C/C=C/CSc1ccc(nc1)OC 62a_100000047065_100102629194 [0,2,0,0,0,0|1,0,0]=3 5678 B13R1.371 C/C=C/CSc1ccc(nc1)OC 62a_100102629194_100000047065 [0,2,0,0,0,0|1,0,0]=3 5679 B13R1.371 C/C=C/CSc1ccc(nc1)SC 62a_100011408404_100102629194 [0,2,0,0,0,0|1,1,0]=4 5680 B13R1.371 C/C=C/CSc1ccc(nc1)SC 62a_100102629194_100011408404 [0,2,0,0,0,0|1,1,0]=4 5681 B13R1.371 C/C=C/CSc1ccc(nn1)OC 62a_100009819040_100102629194 [0,2,0,0,0,0|2,0,0]=4 5682 B13R1.371 C/C=C/CSc1ccc(nn1)OC 62a_100102629194_100009819040 [0,2,0,0,0,0|2,0,0]=4 5683 B13R1.371 C/C=C/CSc1cnc(cn1)OC 62a_100011998698_100102629194 [0,2,0,0,0,0|2,0,0]=4 5684 B13R1.371 C/C=C/CSc1cnc(cn1)OC 62a_100102629194_100011998698 [0,2,0,0,0,0|2,0,0]=4 5685 B13R1.371 C/C=C/CSc1cnc(nc1)OC 62a_100000686852_100102629194 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.371 C/C=C/CSc1cnc(nc1)OC 62a_100102629194_100000686852 [0,2,0,0,0,0|2,0,0]=4 5687 B13R1.371 C/C=C/CSc1ncc(cn1)OC 62a_100000069167_100102629194 [0,2,0,0,0,0|2,0,0]=4 5688 B13R1.371 C/C=C/CSc1ncc(cn1)OC 62a_100102629194_100000069167 [0,2,0,0,0,0|2,0,0]=4 5689 B13R1.371 C=CCCNc1ccc(cc1)C#N 34a_100000185469_100000754431 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.371 C=CCCNc1ccc(cc1)C=C 34a_100011218248_100000754431 [0,2,0,0,0,0|1,0,1]=4 5691 B13R1.371 C=CCCNc1ccc(cc1)CC 2230a_100000211069_100000754431 [0,2,0,0,0,0|1,0,0]=3 5692 B13R1.371 C=CCCNc1ccc(cc1)CC 34a_100000211069_100000754431 [0,2,0,0,0,0|1,0,0]=3 5693 B13R1.371 C=CCCNc1ccc(cc1)CO 2230a_100011215238_100000754431 [0,2,0,0,0,0|2,0,0]=4 5694 B13R1.371 C=CCCNc1ccc(cc1)CO 34a_100011215238_100000754431 [0,2,0,0,0,0|2,0,0]=4 5695 B13R1.371 C=CCCNc1ccc(cc1)OC 34a_100000184247_100000754431 [0,2,0,0,0,0|0,0,0]=2 5696 B13R1.371 C=CCCNc1ccc(cc1)SC 34a_100000212337_100000754431 [0,2,0,0,0,0|0,1,0]=3 5697 B13R1.371 C=CCCNc1ccc(cn1)SC 27a_100015191253_100009820866 [0,2,0,0,0,0|1,1,0]=4 5698 B13R1.371 C=CCCNc1ccc(nn1)OC 27a_100015191253_100010231723 [0,2,0,0,0,0|2,0,0]=4 5699 B13R1.371 C=CCCNc1ncc(cn1)OC 27a_100015191253_100000069167 [0,2,0,0,0,0|2,0,0]=4 5700 B13R1.371 C=CCCOc1ccc(cc1)C#N 34a_100000210344_100000754431 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.371 C=CCCOc1ccc(cc1)C#N 7a_100000210344_100000754431 [0,2,0,0,0,0|2,0,0]=4 5702 B13R1.371 C=CCCOc1ccc(cc1)C=C 271570a_100011290941_100012049633 [0,2,0,0,0,0|1,0,1]=4 5703 B13R1.371 C=CCCOc1ccc(cc1)C=C 34a_100000189437_100000754431 [0,2,0,0,0,0|1,0,1]=4 5704 B13R1.371 C=CCCOc1ccc(cc1)C=C 7a_100000189437_100000754431 [0,2,0,0,0,0|1,0,1]=4 5705 B13R1.371 C=CCCOc1ccc(cc1)CC 34a_100000211359_100000754431 [0,2,0,0,0,0|1,0,0]=3 5706 B13R1.371 C=CCCOc1ccc(cc1)CC 7a_100000211359_100000754431 [0,2,0,0,0,0|1,0,0]=3 5707 B13R1.371 C=CCCOc1ccc(cc1)CN 34a_100000185549_100000754431 [0,2,0,0,0,0|2,0,0]=4 5708 B13R1.371 C=CCCOc1ccc(cc1)CO 34a_100000211755_100000754431 [0,2,0,0,0,0|2,0,0]=4 5709 B13R1.371 C=CCCOc1ccc(cc1)NC 34a_100000182112_100000754431 [0,2,0,0,0,0|1,0,0]=3 5710 B13R1.371 C=CCCOc1ccc(cc1)OC 34a_100000210503_100000754431 [0,2,0,0,0,0|0,0,0]=2 5711 B13R1.371 C=CCCOc1ccc(cc1)SC 34a_100000211864_100000754431 [0,2,0,0,0,0|0,1,0]=3 5712 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_100012049633_200000210301 [0,2,0,0,0,0|0,1,0]=3 5713 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_200000210301_100012049633 [0,2,0,0,0,0|0,1,0]=3 5714 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_100012049633_200025704644 [0,2,0,0,0,0|0,1,0]=3 5715 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012049633 [0,2,0,0,0,0|0,1,0]=3 5716 B13R1.371 C=CCCOc1ccc(cn1)OC 34a_100012002028_100000754431 [0,2,0,0,0,0|1,0,0]=3 5717 B13R1.371 C=CCCOc1ccc(nc1)OC 34a_100011934560_100000754431 [0,2,0,0,0,0|1,0,0]=3 5718 B13R1.371 C=CCCOc1cnc(nc1)OC 34a_100000099601_100000754431 [0,2,0,0,0,0|2,0,0]=4 5719 B13R1.371 C=CCCOc1cnc(nc1)OC 7a_100000099601_100000754431 [0,2,0,0,0,0|2,0,0]=4 5720 B13R1.371 C=CCCSc1ccc(cc1)C#N 62a_100000754431_100000184291 [0,2,0,0,0,0|2,0,0]=4 5721 B13R1.371 C=CCCSc1ccc(cc1)C=C 62a_100000748128_100000754431 [0,2,0,0,0,0|1,0,1]=4 5722 B13R1.371 C=CCCSc1ccc(cc1)C=C 62a_100000754431_100000748128 [0,2,0,0,0,0|1,0,1]=4 5723 B13R1.371 C=CCCSc1ccc(cc1)C=O 62a_100000188517_100000754431 [0,2,0,0,0,0|2,0,0]=4 5724 B13R1.371 C=CCCSc1ccc(cc1)C=O 62a_100000754431_100000188517 [0,2,0,0,0,0|2,0,0]=4 5725 B13R1.371 C=CCCSc1ccc(cc1)CC 62a_100000754431_100011215824 [0,2,0,0,0,0|1,0,0]=3 5726 B13R1.371 C=CCCSc1ccc(cc1)CC 62a_100011215824_100000754431 [0,2,0,0,0,0|1,0,0]=3 5727 B13R1.371 C=CCCSc1ccc(cc1)CF 62a_100000754431_100010268989 [0,2,0,0,0,0|2,0,0]=4 5728 B13R1.371 C=CCCSc1ccc(cc1)CF 62a_100010268989_100000754431 [0,2,0,0,0,0|2,0,0]=4 5729 B13R1.371 C=CCCSc1ccc(cc1)CN 62a_100000754431_100016989417 [0,2,0,0,0,0|2,0,0]=4 5730 B13R1.371 C=CCCSc1ccc(cc1)CN 62a_100016989417_100000754431 [0,2,0,0,0,0|2,0,0]=4 5731 B13R1.371 C=CCCSc1ccc(cc1)CO 62a_100000690907_100000754431 [0,2,0,0,0,0|2,0,0]=4 5732 B13R1.371 C=CCCSc1ccc(cc1)CO 62a_100000754431_100000690907 [0,2,0,0,0,0|2,0,0]=4 5733 B13R1.371 C=CCCSc1ccc(cc1)NC 62a_100000743151_100000754431 [0,2,0,0,0,0|1,0,0]=3 5734 B13R1.371 C=CCCSc1ccc(cc1)NC 62a_100000754431_100000743151 [0,2,0,0,0,0|1,0,0]=3 5735 B13R1.371 C=CCCSc1ccc(cc1)NN 62a_100000754431_100016988836 [0,2,0,0,0,0|2,0,0]=4 5736 B13R1.371 C=CCCSc1ccc(cc1)NN 62a_100016988836_100000754431 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.371 C=CCCSc1ccc(cc1)OC 62a_100000754431_100000171711 [0,2,0,0,0,0|0,0,0]=2 5738 B13R1.371 C=CCCSc1ccc(cc1)SC 62a_100000754431_100011263217 [0,2,0,0,0,0|0,1,0]=3 5739 B13R1.371 C=CCCSc1ccc(cc1)SC 62a_100011263217_100000754431 [0,2,0,0,0,0|0,1,0]=3 5740 B13R1.371 C=CCCSc1ccc(cn1)CC 62a_100000754431_100009843584 [0,2,0,0,0,0|2,0,0]=4 5741 B13R1.371 C=CCCSc1ccc(cn1)CC 62a_100009843584_100000754431 [0,2,0,0,0,0|2,0,0]=4 5742 B13R1.371 C=CCCSc1ccc(cn1)NC 62a_100000754431_100000764248 [0,2,0,0,0,0|2,0,0]=4 5743 B13R1.371 C=CCCSc1ccc(cn1)NC 62a_100000764248_100000754431 [0,2,0,0,0,0|2,0,0]=4 5744 B13R1.371 C=CCCSc1ccc(cn1)OC 62a_100000754431_100000744180 [0,2,0,0,0,0|1,0,0]=3 5745 B13R1.371 C=CCCSc1ccc(cn1)OC 62a_100000755202_100000754431 [0,2,0,0,0,0|1,0,0]=3 5746 B13R1.371 C=CCCSc1ccc(cn1)SC 62a_100000754431_100009820866 [0,2,0,0,0,0|1,1,0]=4 5747 B13R1.371 C=CCCSc1ccc(cn1)SC 62a_100009820866_100000754431 [0,2,0,0,0,0|1,1,0]=4 5748 B13R1.371 C=CCCSc1ccc(nc1)CC 62a_100000754431_100009820025 [0,2,0,0,0,0|2,0,0]=4 5749 B13R1.371 C=CCCSc1ccc(nc1)CC 62a_100009820025_100000754431 [0,2,0,0,0,0|2,0,0]=4 5750 B13R1.371 C=CCCSc1ccc(nc1)NC 62a_100000741341_100000754431 [0,2,0,0,0,0|2,0,0]=4 5751 B13R1.371 C=CCCSc1ccc(nc1)NC 62a_100000754431_100000741341 [0,2,0,0,0,0|2,0,0]=4 5752 B13R1.371 C=CCCSc1ccc(nc1)OC 62a_100000047065_100000754431 [0,2,0,0,0,0|1,0,0]=3 5753 B13R1.371 C=CCCSc1ccc(nc1)OC 62a_100000754431_100000047065 [0,2,0,0,0,0|1,0,0]=3 5754 B13R1.371 C=CCCSc1ccc(nc1)SC 62a_100000754431_100011408404 [0,2,0,0,0,0|1,1,0]=4 5755 B13R1.371 C=CCCSc1ccc(nc1)SC 62a_100011408404_100000754431 [0,2,0,0,0,0|1,1,0]=4 5756 B13R1.371 C=CCCSc1ccc(nn1)OC 62a_100000754431_100009819040 [0,2,0,0,0,0|2,0,0]=4 5757 B13R1.371 C=CCCSc1ccc(nn1)OC 62a_100009819040_100000754431 [0,2,0,0,0,0|2,0,0]=4 5758 B13R1.371 C=CCCSc1cnc(cn1)OC 62a_100000754431_100011998698 [0,2,0,0,0,0|2,0,0]=4 5759 B13R1.371 C=CCCSc1cnc(cn1)OC 62a_100011998698_100000754431 [0,2,0,0,0,0|2,0,0]=4 5760 B13R1.371 C=CCCSc1cnc(nc1)OC 62a_100000686852_100000754431 [0,2,0,0,0,0|2,0,0]=4 5761 B13R1.371 C=CCCSc1cnc(nc1)OC 62a_100000754431_100000686852 [0,2,0,0,0,0|2,0,0]=4 5762 B13R1.371 C=CCCSc1ncc(cn1)OC 62a_100000069167_100000754431 [0,2,0,0,0,0|2,0,0]=4 5763 B13R1.371 C=CCCSc1ncc(cn1)OC 62a_100000754431_100000069167 [0,2,0,0,0,0|2,0,0]=4 5764 B13R1.371 C=CCNCc1ccc(cc1)C#N 2230a_100020586998_100000184898 [0,2,0,0,0,0|2,0,0]=4 5765 B13R1.371 C=CCNCc1ccc(cc1)C#N 270004a_100020586998_100000211122 [0,2,0,0,0,0|2,0,0]=4 5766 B13R1.371 C=CCNCc1ccc(cc1)C#N 34a_100015207190_100015514636 [0,2,0,0,0,0|2,0,0]=4 5767 B13R1.371 C=CCNCc1ccc(cc1)C=C 2230a_100020586998_100000034074 [0,2,0,0,0,0|1,0,1]=4 5768 B13R1.371 C=CCNCc1ccc(cc1)C=C 270004a_100020586998_100011361436 [0,2,0,0,0,0|1,0,1]=4 5769 B13R1.371 C=CCNCc1ccc(cc1)C=C 34a_200011934891_100015514636 [0,2,0,0,0,0|1,0,1]=4 5770 B13R1.371 C=CCNCc1ccc(cc1)C=O 2230a_100020586998_100009816848 [0,2,0,0,0,0|2,0,0]=4 5771 B13R1.371 C=CCNCc1ccc(cc1)CC 2230a_100000721222_100000210623 [0,2,0,0,0,0|1,0,0]=3 5772 B13R1.371 C=CCNCc1ccc(cc1)CC 2230a_100020586998_100000747183 [0,2,0,0,0,0|1,0,0]=3 5773 B13R1.371 C=CCNCc1ccc(cc1)CC 270004a_100020586998_100000211036 [0,2,0,0,0,0|1,0,0]=3 5774 B13R1.371 C=CCNCc1ccc(cc1)CC 34a_100000721222_100015514636 [0,2,0,0,0,0|1,0,0]=3 5775 B13R1.371 C=CCNCc1ccc(cc1)CO 2230a_100015189231_100000210623 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.371 C=CCNCc1ccc(cc1)CO 2230a_100020586998_100000067286 [0,2,0,0,0,0|2,0,0]=4 5777 B13R1.371 C=CCNCc1ccc(cc1)CO 270004a_100020586998_100009832023 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.371 C=CCNCc1ccc(cc1)CO 34a_100015189231_100015514636 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.371 C=CCNCc1ccc(cc1)OC 2230a_100020586998_100000742318 [0,2,0,0,0,0|0,0,0]=2 5780 B13R1.371 C=CCNCc1ccc(cc1)OC 270004a_100020586998_100000169835 [0,2,0,0,0,0|0,0,0]=2 5781 B13R1.371 C=CCNCc1ccc(cc1)OC 34a_100000185587_100015514636 [0,2,0,0,0,0|0,0,0]=2 5782 B13R1.371 C=CCNCc1ccc(cc1)SC 2230a_100000174980_100000210623 [0,2,0,0,0,0|0,1,0]=3 5783 B13R1.371 C=CCNCc1ccc(cc1)SC 2230a_100020586998_100000181263 [0,2,0,0,0,0|0,1,0]=3 5784 B13R1.371 C=CCNCc1ccc(cc1)SC 270004a_100020586998_100000211154 [0,2,0,0,0,0|0,1,0]=3 5785 B13R1.371 C=CCNCc1ccc(cc1)SC 34a_100000174980_100015514636 [0,2,0,0,0,0|0,1,0]=3 5786 B13R1.371 C=CCNCc1ccc(cc1)SC 62a_100000196220_200000210301 [0,2,0,0,0,0|0,1,0]=3 5787 B13R1.371 C=CCNCc1ccc(cc1)SC 62a_200000210301_100000196220 [0,2,0,0,0,0|0,1,0]=3 5788 B13R1.371 C=CCNCc1ccc(cc1)S[13CH3] 62a_100000196220_200025704644 [0,2,0,0,0,0|0,1,0]=3 5789 B13R1.371 C=CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000196220 [0,2,0,0,0,0|0,1,0]=3 5790 B13R1.371 C=CCNCc1ccc(cn1)CC 2230a_100000069493_100000210623 [0,2,0,0,0,0|2,0,0]=4 5791 B13R1.371 C=CCNCc1ccc(cn1)CC 270004a_100020586998_100000069529 [0,2,0,0,0,0|2,0,0]=4 5792 B13R1.371 C=CCNCc1ccc(cn1)CC 34a_100000069493_100015514636 [0,2,0,0,0,0|2,0,0]=4 5793 B13R1.371 C=CCNCc1ccc(cn1)OC 2230a_100020586998_200000757186 [0,2,0,0,0,0|1,0,0]=3 5794 B13R1.371 C=CCNCc1ccc(cn1)OC 270004a_100020586998_100000701244 [0,2,0,0,0,0|1,0,0]=3 5795 B13R1.371 C=CCNCc1ccc(cn1)OC 34a_100000703904_100015514636 [0,2,0,0,0,0|1,0,0]=3 5796 B13R1.371 C=CCNCc1ccc(nc1)OC 2230a_100000241975_100000210623 [0,2,0,0,0,0|1,0,0]=3 5797 B13R1.371 C=CCNCc1ccc(nc1)OC 2230a_100020586998_100020631284 [0,2,0,0,0,0|1,0,0]=3 5798 B13R1.371 C=CCNCc1ccc(nc1)OC 270004a_100020586998_100000761633 [0,2,0,0,0,0|1,0,0]=3 5799 B13R1.371 C=CCNCc1cnc(cn1)OC 270004a_100020586998_100000099869 [0,2,0,0,0,0|2,0,0]=4 5800 B13R1.371 C=CCNCc1cnc(nc1)OC 270004a_100020586998_100011202752 [0,2,0,0,0,0|2,0,0]=4 5801 B13R1.371 C=CCOCc1ccc(cc1)C#N 34a_100000238739_100015514636 [0,2,0,0,0,0|2,0,0]=4 5802 B13R1.371 C=CCOCc1ccc(cc1)C#N 34a_200000210373_100000184898 [0,2,0,0,0,0|2,0,0]=4 5803 B13R1.371 C=CCOCc1ccc(cc1)C#N 7a_100000238739_100015514636 [0,2,0,0,0,0|2,0,0]=4 5804 B13R1.371 C=CCOCc1ccc(cc1)C=C 34a_100000073583_100015514636 [0,2,0,0,0,0|1,0,1]=4 5805 B13R1.371 C=CCOCc1ccc(cc1)C=C 34a_200000210373_100000034074 [0,2,0,0,0,0|1,0,1]=4 5806 B13R1.371 C=CCOCc1ccc(cc1)C=C 7a_100000073583_100015514636 [0,2,0,0,0,0|1,0,1]=4 5807 B13R1.371 C=CCOCc1ccc(cc1)C=O 34a_200000210373_100009816848 [0,2,0,0,0,0|2,0,0]=4 5808 B13R1.371 C=CCOCc1ccc(cc1)CBr 34a_100012353999_100015514636 [0,2,0,0,0,0|2,0,0]=4 5809 B13R1.371 C=CCOCc1ccc(cc1)CBr 7a_100012353999_100015514636 [0,2,0,0,0,0|2,0,0]=4 5810 B13R1.371 C=CCOCc1ccc(cc1)CC 34a_100000702245_100015514636 [0,2,0,0,0,0|1,0,0]=3 5811 B13R1.371 C=CCOCc1ccc(cc1)CC 34a_200000210373_100000747183 [0,2,0,0,0,0|1,0,0]=3 5812 B13R1.371 C=CCOCc1ccc(cc1)CC 7a_100000702245_100015514636 [0,2,0,0,0,0|1,0,0]=3 5813 B13R1.371 C=CCOCc1ccc(cc1)CCl 34a_100000067286_100015514636 [0,2,0,0,0,0|2,0,0]=4 5814 B13R1.371 C=CCOCc1ccc(cc1)CCl 7a_100000067286_100015514636 [0,2,0,0,0,0|2,0,0]=4 5815 B13R1.371 C=CCOCc1ccc(cc1)CN 34a_100015189231_100015514636 [0,2,0,0,0,0|2,0,0]=4 5816 B13R1.371 C=CCOCc1ccc(cc1)CO 34a_200000210373_100000067286 [0,2,0,0,0,0|2,0,0]=4 5817 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_100000173359_100015514636 [0,2,0,0,0,0|0,0,0]=2 5818 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_200000210373_100000742318 [0,2,0,0,0,0|0,0,0]=2 5819 B13R1.371 C=CCOCc1ccc(cc1)SC 34a_100011215404_100015514636 [0,2,0,0,0,0|0,1,0]=3 5820 B13R1.371 C=CCOCc1ccc(cc1)SC 34a_200000210373_100000181263 [0,2,0,0,0,0|0,1,0]=3 5821 B13R1.371 C=CCOCc1ccc(cc1)SC 7a_100011215404_100015514636 [0,2,0,0,0,0|0,1,0]=3 5822 B13R1.371 C=CCOCc1ccc(cn1)CC 34a_100000068455_100015514636 [0,2,0,0,0,0|2,0,0]=4 5823 B13R1.371 C=CCOCc1ccc(cn1)OC 34a_100011998694_100015514636 [0,2,0,0,0,0|1,0,0]=3 5824 B13R1.371 C=CCOCc1ccc(cn1)OC 34a_200000210373_200000757186 [0,2,0,0,0,0|1,0,0]=3 5825 B13R1.371 C=CCOCc1ccc(nc1)OC 34a_100000763316_100015514636 [0,2,0,0,0,0|1,0,0]=3 5826 B13R1.371 C=CCOCc1ccc(nc1)OC 34a_200000210373_100020631284 [0,2,0,0,0,0|1,0,0]=3 5827 B13R1.371 C=CCSCc1ccc(cc1)C#N 62a_100000210623_100000184898 [0,2,0,0,0,0|2,0,0]=4 5828 B13R1.371 C=CCSCc1ccc(cc1)C=C 62a_100000034074_100000210623 [0,2,0,0,0,0|1,0,1]=4 5829 B13R1.371 C=CCSCc1ccc(cc1)C=C 62a_100000210623_100000034074 [0,2,0,0,0,0|1,0,1]=4 5830 B13R1.371 C=CCSCc1ccc(cc1)C=O 62a_100000210623_100009816848 [0,2,0,0,0,0|2,0,0]=4 5831 B13R1.371 C=CCSCc1ccc(cc1)C=O 62a_100009816848_100000210623 [0,2,0,0,0,0|2,0,0]=4 5832 B13R1.371 C=CCSCc1ccc(cc1)CC 62a_100000210623_100000747183 [0,2,0,0,0,0|1,0,0]=3 5833 B13R1.371 C=CCSCc1ccc(cc1)CC 62a_100000757233_100000210623 [0,2,0,0,0,0|1,0,0]=3 5834 B13R1.371 C=CCSCc1ccc(cc1)CO 62a_100000067286_100000210623 [0,2,0,0,0,0|2,0,0]=4 5835 B13R1.371 C=CCSCc1ccc(cc1)CO 62a_100000210623_100000067286 [0,2,0,0,0,0|2,0,0]=4 5836 B13R1.371 C=CCSCc1ccc(cc1)OC 62a_100000210623_100000742318 [0,2,0,0,0,0|0,0,0]=2 5837 B13R1.371 C=CCSCc1ccc(cc1)SC 62a_100000181263_100000210623 [0,2,0,0,0,0|0,1,0]=3 5838 B13R1.371 C=CCSCc1ccc(cc1)SC 62a_100000210623_100000181263 [0,2,0,0,0,0|0,1,0]=3 5839 B13R1.371 C=CCSCc1ccc(cn1)OC 62a_100000210623_200000757186 [0,2,0,0,0,0|1,0,0]=3 5840 B13R1.371 C=CCSCc1ccc(cn1)OC 62a_200000757186_100000210623 [0,2,0,0,0,0|1,0,0]=3 5841 B13R1.371 C=CCSCc1ccc(nc1)OC 62a_100000210623_100020631284 [0,2,0,0,0,0|1,0,0]=3 5842 B13R1.371 C=CCSCc1ccc(nc1)OC 62a_100020631284_100000210623 [0,2,0,0,0,0|1,0,0]=3 5843 B13R1.371 C=Cc1ccc(cc1)NC/C=C/C 34a_100011218248_100102629194 [0,2,0,0,0,0|1,0,1]=4 5844 B13R1.371 C=Cc1ccc(cc1)NCC=CC 34a_100011218248_100000070051 [0,2,0,0,0,0|1,0,1]=4 5845 B13R1.371 C=Cc1ccc(cc1)OC/C=C/C 34a_100000189437_100102629194 [0,2,0,0,0,0|1,0,1]=4 5846 B13R1.371 C=Cc1ccc(cc1)OC/C=C/C 7a_100000189437_100102629194 [0,2,0,0,0,0|1,0,1]=4 5847 B13R1.371 C=Cc1ccc(cc1)OCC=CC 34a_100000189437_100000070051 [0,2,0,0,0,0|1,0,1]=4 5848 B13R1.371 C=Cc1ccc(cc1)OCC=CC 7a_100000189437_100000070051 [0,2,0,0,0,0|1,0,1]=4 5849 B13R1.371 C=Cc1ccc(cc1)SC/C=C/C 62a_100000748128_100102629194 [0,2,0,0,0,0|1,0,1]=4 5850 B13R1.371 C=Cc1ccc(cc1)SC/C=C/C 62a_100102629194_100000748128 [0,2,0,0,0,0|1,0,1]=4 5851 B13R1.371 C=Cc1ccc(cc1)SCC=CC 62a_100000070051_100000748128 [0,2,0,0,0,0|1,0,1]=4 5852 B13R1.371 C=Cc1ccc(cc1)SCC=CC 62a_100000748128_100000070051 [0,2,0,0,0,0|1,0,1]=4 5853 B13R1.371 CC#CCNc1ccc(cc1)OC 34a_100000184247_100000748600 [0,2,0,0,0,0|0,0,2]=4 5854 B13R1.371 CC#CCOc1ccc(cc1)OC 34a_100000210503_100000748600 [0,2,0,0,0,0|0,0,2]=4 5855 B13R1.371 CC#CCSc1ccc(cc1)OC 62a_100000748600_100000171711 [0,2,0,0,0,0|0,0,2]=4 5856 B13R1.371 CC=CCNc1ccc(cc1)C#N 34a_100000185469_100000070051 [0,2,0,0,0,0|2,0,0]=4 5857 B13R1.371 CC=CCNc1ccc(cc1)CC 2230a_100000211069_100000070051 [0,2,0,0,0,0|1,0,0]=3 5858 B13R1.371 CC=CCNc1ccc(cc1)CC 34a_100000211069_100000070051 [0,2,0,0,0,0|1,0,0]=3 5859 B13R1.371 CC=CCNc1ccc(cc1)CO 2230a_100011215238_100000070051 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.371 CC=CCNc1ccc(cc1)CO 34a_100011215238_100000070051 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.371 CC=CCNc1ccc(cc1)OC 34a_100000184247_100000070051 [0,2,0,0,0,0|0,0,0]=2 5862 B13R1.371 CC=CCNc1ccc(cc1)SC 34a_100000212337_100000070051 [0,2,0,0,0,0|0,1,0]=3 5863 B13R1.371 CC=CCOc1ccc(cc1)C#N 34a_100000210344_100000070051 [0,2,0,0,0,0|2,0,0]=4 5864 B13R1.371 CC=CCOc1ccc(cc1)C#N 7a_100000210344_100000070051 [0,2,0,0,0,0|2,0,0]=4 5865 B13R1.371 CC=CCOc1ccc(cc1)CC 34a_100000211359_100000070051 [0,2,0,0,0,0|1,0,0]=3 5866 B13R1.371 CC=CCOc1ccc(cc1)CC 7a_100000211359_100000070051 [0,2,0,0,0,0|1,0,0]=3 5867 B13R1.371 CC=CCOc1ccc(cc1)CN 34a_100000185549_100000070051 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.371 CC=CCOc1ccc(cc1)CO 34a_100000211755_100000070051 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.371 CC=CCOc1ccc(cc1)NC 34a_100000182112_100000070051 [0,2,0,0,0,0|1,0,0]=3 5870 B13R1.371 CC=CCOc1ccc(cc1)OC 34a_100000210503_100000070051 [0,2,0,0,0,0|0,0,0]=2 5871 B13R1.371 CC=CCOc1ccc(cc1)SC 34a_100000211864_100000070051 [0,2,0,0,0,0|0,1,0]=3 5872 B13R1.371 CC=CCOc1ccc(cn1)OC 34a_100012002028_100000070051 [0,2,0,0,0,0|1,0,0]=3 5873 B13R1.371 CC=CCOc1ccc(nc1)OC 34a_100011934560_100000070051 [0,2,0,0,0,0|1,0,0]=3 5874 B13R1.371 CC=CCOc1cnc(nc1)OC 34a_100000099601_100000070051 [0,2,0,0,0,0|2,0,0]=4 5875 B13R1.371 CC=CCOc1cnc(nc1)OC 7a_100000099601_100000070051 [0,2,0,0,0,0|2,0,0]=4 5876 B13R1.371 CC=CCSc1ccc(cc1)C#N 62a_100000070051_100000184291 [0,2,0,0,0,0|2,0,0]=4 5877 B13R1.371 CC=CCSc1ccc(cc1)C=O 62a_100000070051_100000188517 [0,2,0,0,0,0|2,0,0]=4 5878 B13R1.371 CC=CCSc1ccc(cc1)C=O 62a_100000188517_100000070051 [0,2,0,0,0,0|2,0,0]=4 5879 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100000070051_100011215824 [0,2,0,0,0,0|1,0,0]=3 5880 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100011215824_100000070051 [0,2,0,0,0,0|1,0,0]=3 5881 B13R1.371 CC=CCSc1ccc(cc1)CF 62a_100000070051_100010268989 [0,2,0,0,0,0|2,0,0]=4 5882 B13R1.371 CC=CCSc1ccc(cc1)CF 62a_100010268989_100000070051 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.371 CC=CCSc1ccc(cc1)CN 62a_100000070051_100016989417 [0,2,0,0,0,0|2,0,0]=4 5884 B13R1.371 CC=CCSc1ccc(cc1)CN 62a_100016989417_100000070051 [0,2,0,0,0,0|2,0,0]=4 5885 B13R1.371 CC=CCSc1ccc(cc1)CO 62a_100000070051_100000690907 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.371 CC=CCSc1ccc(cc1)CO 62a_100000690907_100000070051 [0,2,0,0,0,0|2,0,0]=4 5887 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000070051_100000743151 [0,2,0,0,0,0|1,0,0]=3 5888 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000743151_100000070051 [0,2,0,0,0,0|1,0,0]=3 5889 B13R1.371 CC=CCSc1ccc(cc1)NN 62a_100000070051_100016988836 [0,2,0,0,0,0|2,0,0]=4 5890 B13R1.371 CC=CCSc1ccc(cc1)NN 62a_100016988836_100000070051 [0,2,0,0,0,0|2,0,0]=4 5891 B13R1.371 CC=CCSc1ccc(cc1)OC 62a_100000070051_100000171711 [0,2,0,0,0,0|0,0,0]=2 5892 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100000070051_100011263217 [0,2,0,0,0,0|0,1,0]=3 5893 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100011263217_100000070051 [0,2,0,0,0,0|0,1,0]=3 5894 B13R1.371 CC=CCSc1ccc(cn1)CC 62a_100000070051_100009843584 [0,2,0,0,0,0|2,0,0]=4 5895 B13R1.371 CC=CCSc1ccc(cn1)CC 62a_100009843584_100000070051 [0,2,0,0,0,0|2,0,0]=4 5896 B13R1.371 CC=CCSc1ccc(cn1)NC 62a_100000070051_100000764248 [0,2,0,0,0,0|2,0,0]=4 5897 B13R1.371 CC=CCSc1ccc(cn1)NC 62a_100000764248_100000070051 [0,2,0,0,0,0|2,0,0]=4 5898 B13R1.371 CC=CCSc1ccc(cn1)OC 62a_100000070051_100000744180 [0,2,0,0,0,0|1,0,0]=3 5899 B13R1.371 CC=CCSc1ccc(cn1)OC 62a_100000755202_100000070051 [0,2,0,0,0,0|1,0,0]=3 5900 B13R1.371 CC=CCSc1ccc(cn1)SC 62a_100000070051_100009820866 [0,2,0,0,0,0|1,1,0]=4 5901 B13R1.371 CC=CCSc1ccc(cn1)SC 62a_100009820866_100000070051 [0,2,0,0,0,0|1,1,0]=4 5902 B13R1.371 CC=CCSc1ccc(nc1)CC 62a_100000070051_100009820025 [0,2,0,0,0,0|2,0,0]=4 5903 B13R1.371 CC=CCSc1ccc(nc1)CC 62a_100009820025_100000070051 [0,2,0,0,0,0|2,0,0]=4 5904 B13R1.371 CC=CCSc1ccc(nc1)NC 62a_100000070051_100000741341 [0,2,0,0,0,0|2,0,0]=4 5905 B13R1.371 CC=CCSc1ccc(nc1)NC 62a_100000741341_100000070051 [0,2,0,0,0,0|2,0,0]=4 5906 B13R1.371 CC=CCSc1ccc(nc1)OC 62a_100000047065_100000070051 [0,2,0,0,0,0|1,0,0]=3 5907 B13R1.371 CC=CCSc1ccc(nc1)OC 62a_100000070051_100000047065 [0,2,0,0,0,0|1,0,0]=3 5908 B13R1.371 CC=CCSc1ccc(nc1)SC 62a_100000070051_100011408404 [0,2,0,0,0,0|1,1,0]=4 5909 B13R1.371 CC=CCSc1ccc(nc1)SC 62a_100011408404_100000070051 [0,2,0,0,0,0|1,1,0]=4 5910 B13R1.371 CC=CCSc1ccc(nn1)OC 62a_100000070051_100009819040 [0,2,0,0,0,0|2,0,0]=4 5911 B13R1.371 CC=CCSc1ccc(nn1)OC 62a_100009819040_100000070051 [0,2,0,0,0,0|2,0,0]=4 5912 B13R1.371 CC=CCSc1cnc(cn1)OC 62a_100000070051_100011998698 [0,2,0,0,0,0|2,0,0]=4 5913 B13R1.371 CC=CCSc1cnc(cn1)OC 62a_100011998698_100000070051 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.371 CC=CCSc1cnc(nc1)OC 62a_100000070051_100000686852 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.371 CC=CCSc1cnc(nc1)OC 62a_100000686852_100000070051 [0,2,0,0,0,0|2,0,0]=4 5916 B13R1.371 CC=CCSc1ncc(cn1)OC 62a_100000069167_100000070051 [0,2,0,0,0,0|2,0,0]=4 5917 B13R1.371 CC=CCSc1ncc(cn1)OC 62a_100000070051_100000069167 [0,2,0,0,0,0|2,0,0]=4 5918 B13R1.371 CC=NNCc1ccc(cc1)OC 4a_100000741578_200000210099 [0,2,0,0,0,0|0,0,1]=3 5919 B13R1.371 CC=NNCc1ccc(cc1)SC 4a_102495366275_200000210099 [0,2,0,0,0,0|0,1,1]=4 5920 B13R1.371 CCC=NNc1ccc(cc1)OC 4a_100000005221_100000210100 [0,2,0,0,0,0|1,0,1]=4 5921 B13R1.371 CCCC=Cc1ccc(cc1)OC 271570a_100016258520_100000171711 [0,2,0,0,0,0|0,0,2]=4 5922 B13R1.371 CCCCCc1ccc(cc1)OC 34a_100000179804_200000210301 [0,2,0,0,0,0|0,0,2]=4 5923 B13R1.371 CCCCCc1ccc(cc1)OC 7a_100000179804_200000210301 [0,2,0,0,0,0|0,0,2]=4 5924 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 34a_100000179804_200025704644 [0,2,0,0,0,0|0,0,2]=4 5925 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 7a_100000179804_200025704644 [0,2,0,0,0,0|0,0,2]=4 5926 B13R1.371 CCCCNc1ccc(cc1)OC 34a_100000184247_100000210210 [0,2,0,0,0,0|0,0,2]=4 5927 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [0,2,0,0,0,0|0,0,2]=4 5928 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [0,2,0,0,0,0|0,0,2]=4 5929 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [0,2,0,0,0,0|0,0,2]=4 5930 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [0,2,0,0,0,0|0,0,2]=4 5931 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [0,2,0,0,0,0|0,0,2]=4 5932 B13R1.371 CCCCSc1ccc(cc1)OC 62a_100000210211_100000171711 [0,2,0,0,0,0|0,0,2]=4 5933 B13R1.371 CCCNCc1ccc(cc1)OC 207a_100020643023_100000169835 [0,2,0,0,0,0|0,0,2]=4 5934 B13R1.371 CCCNCc1ccc(cc1)OC 270004a_100020643023_100000169835 [0,2,0,0,0,0|0,0,2]=4 5935 B13R1.371 CCCNCc1ccc(cc1)OC 34a_100000185587_100000210303 [0,2,0,0,0,0|0,0,2]=4 5936 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000173359_100000210303 [0,2,0,0,0,0|0,0,2]=4 5937 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000210258_100000742318 [0,2,0,0,0,0|0,0,2]=4 5938 B13R1.371 CCCSCc1ccc(cc1)OC 62a_100000210303_100000742318 [0,2,0,0,0,0|0,0,2]=4 5939 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100000210796_100000210202 [0,2,0,0,0,0|0,0,2]=4 5940 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100015525214_100011713689 [0,2,0,0,0,0|0,0,2]=4 5941 B13R1.371 CCNCCc1ccc(cc1)OC 270004a_100015525214_100011242372 [0,2,0,0,0,0|0,0,2]=4 5942 B13R1.371 CCNCCc1ccc(cc1)OC 34a_100000210796_100000210202 [0,2,0,0,0,0|0,0,2]=4 5943 B13R1.371 CCOC=Cc1ccc(cc1)OC 271570a_100016256518_100000171711 [0,2,0,0,0,0|0,0,2]=4 5944 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100011219623_100000210202 [0,2,0,0,0,0|0,0,2]=4 5945 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100121572206_100000184700 [0,2,0,0,0,0|0,0,2]=4 5946 B13R1.371 CCOCCc1ccc(cc1)OC 7a_100011219623_100000210202 [0,2,0,0,0,0|0,0,2]=4 5947 B13R1.371 CCOCSc1ccc(cc1)OC 62a_100000739092_100000171711 [0,2,0,0,0,0|0,0,2]=4 5948 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100000210202_100011713689 [0,2,0,0,0,0|0,0,2]=4 5949 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100011713689_100000210202 [0,2,0,0,0,0|0,0,2]=4 5950 B13R1.371 CCc1ccc(cc1)CNCC=O 2230a_100000721222_200015260668 [0,2,0,0,0,0|1,0,1]=4 5951 B13R1.371 CCc1ccc(cc1)CNCC=O 34a_100000721222_200009817547 [0,2,0,0,0,0|1,0,1]=4 5952 B13R1.371 CCc1ccc(cc1)COCC=O 34a_100000702245_200009817547 [0,2,0,0,0,0|1,0,1]=4 5953 B13R1.371 CCc1ccc(cc1)COCC=O 7a_100000702245_200015260668 [0,2,0,0,0,0|1,0,1]=4 5954 B13R1.371 CCc1ccc(cc1)CSCC=O 62a_100000757233_200015260668 [0,2,0,0,0,0|1,0,1]=4 5955 B13R1.371 CCc1ccc(cc1)CSCC=O 62a_200015260668_100000747183 [0,2,0,0,0,0|1,0,1]=4 5956 B13R1.371 CNCC=Cc1ccc(cc1)OC 270004a_106832991635_100016259823 [0,2,0,0,0,0|0,0,2]=4 5957 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_100015185942_200000210301 [0,2,0,0,0,0|0,0,2]=4 5958 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_106832991635_100011740616 [0,2,0,0,0,0|0,0,2]=4 5959 B13R1.371 CNCCCc1ccc(cc1)OC 270004a_106832991635_100011361577 [0,2,0,0,0,0|0,0,2]=4 5960 B13R1.371 CNCCCc1ccc(cc1)OC 34a_100015185942_200000210301 [0,2,0,0,0,0|0,0,2]=4 5961 B13R1.371 CNCCCc1ccc(cc1)OC 7a_106832991635_100011740616 [0,2,0,0,0,0|0,0,2]=4 5962 B13R1.371 CNCCOc1ccc(cc1)OC 2230a_100000174941_200000210301 [0,2,0,0,0,0|0,0,2]=4 5963 B13R1.371 CNCCOc1ccc(cc1)OC 2230a_106832991635_100000183225 [0,2,0,0,0,0|0,0,2]=4 5964 B13R1.371 CNCCOc1ccc(cc1)OC 34a_100000174941_200000210301 [0,2,0,0,0,0|0,0,2]=4 5965 B13R1.371 CNCCOc1ccc(cc1)OC 34a_100102657272_100000183225 [0,2,0,0,0,0|0,0,2]=4 5966 B13R1.371 CNCCOc1ccc(cc1)OC 7a_106832991635_100000183225 [0,2,0,0,0,0|0,0,2]=4 5967 B13R1.371 COC/C=C/c1ccc(cc1)OC 34a_200016269047_200000210301 [0,2,0,0,0,0|0,0,2]=4 5968 B13R1.371 COCC=Cc1ccc(cc1)OC 271570a_100016286323_100000171711 [0,2,0,0,0,0|0,0,2]=4 5969 B13R1.371 COCCCc1ccc(cc1)OC 34a_100011215180_200000210301 [0,2,0,0,0,0|0,0,2]=4 5970 B13R1.371 COCCCc1ccc(cc1)OC 7a_100011215180_200000210301 [0,2,0,0,0,0|0,0,2]=4 5971 B13R1.371 COCCNc1ccc(cc1)OC 34a_100000184247_100011201679 [0,2,0,0,0,0|0,0,2]=4 5972 B13R1.371 COCCOc1ccc(cc1)OC 34a_100000210503_100011201679 [0,2,0,0,0,0|0,0,2]=4 5973 B13R1.371 COCCOc1ccc(cc1)OC 34a_100000726821_200000210301 [0,2,0,0,0,0|0,0,2]=4 5974 B13R1.371 COCCOc1ccc(cc1)OC 34a_100138415774_100000183225 [0,2,0,0,0,0|0,0,2]=4 5975 B13R1.371 COCCOc1ccc(cc1)OC 34a_200011305860_200000210301 [0,2,0,0,0,0|0,0,2]=4 5976 B13R1.371 COCCOc1ccc(cc1)O[13CH3] 34a_100000726821_200025704644 [0,2,0,0,0,0|0,0,2]=4 5977 B13R1.371 COCCSc1ccc(cc1)OC 62a_100000233755_100000171711 [0,2,0,0,0,0|0,0,2]=4 5978 B13R1.371 COCSCc1ccc(cc1)OC 62a_100000766300_100000742318 [0,2,0,0,0,0|0,0,2]=4 5979 B13R1.371 COc1ccc(cc1)/C=C/CO[13CH3] 34a_200016269047_200025704644 [0,2,0,0,0,0|0,0,2]=4 5980 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 2230a_100015185942_200025704644 [0,2,0,0,0,0|0,0,2]=4 5981 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 34a_100015185942_200025704644 [0,2,0,0,0,0|0,0,2]=4 5982 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 34a_100011215180_200025704644 [0,2,0,0,0,0|0,0,2]=4 5983 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 7a_100011215180_200025704644 [0,2,0,0,0,0|0,0,2]=4 5984 B13R1.371 COc1ccc(cc1)CCCSC 62a_100011740616_200000210301 [0,2,0,0,0,0|0,0,2]=4 5985 B13R1.371 COc1ccc(cc1)CCCSC 62a_200000210301_100011740616 [0,2,0,0,0,0|0,0,2]=4 5986 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_100011740616_200025704644 [0,2,0,0,0,0|0,0,2]=4 5987 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_200025704644_100011740616 [0,2,0,0,0,0|0,0,2]=4 5988 B13R1.371 COc1ccc(cc1)CCNCF 34a_100000210796_100015361967 [0,2,0,0,0,0|0,0,2]=4 5989 B13R1.371 COc1ccc(cc1)CCOCF 34a_100011219623_100015361967 [0,2,0,0,0,0|0,0,2]=4 5990 B13R1.371 COc1ccc(cc1)CCOCF 7a_100011219623_100015361967 [0,2,0,0,0,0|0,0,2]=4 5991 B13R1.371 COc1ccc(cc1)CCSCF 62a_100011713689_100015361967 [0,2,0,0,0,0|0,0,2]=4 5992 B13R1.371 COc1ccc(cc1)CCSCF 62a_100015361967_100011713689 [0,2,0,0,0,0|0,0,2]=4 5993 B13R1.371 COc1ccc(cc1)CNCC=O 34a_100000185587_200009817547 [0,2,0,0,0,0|0,0,1]=3 5994 B13R1.371 COc1ccc(cc1)CNCCF 34a_100000185587_100011217306 [0,2,0,0,0,0|0,0,2]=4 5995 B13R1.371 COc1ccc(cc1)CNCCF 34a_100000724931_100000742318 [0,2,0,0,0,0|0,0,2]=4 5996 B13R1.371 COc1ccc(cc1)CNCCO 207a_100000210304_100000169835 [0,2,0,0,0,0|0,0,2]=4 5997 B13R1.371 COc1ccc(cc1)CNCCO 2230a_100016997473_100000742318 [0,2,0,0,0,0|0,0,2]=4 5998 B13R1.371 COc1ccc(cc1)CNCCO 270004a_100000210304_100000169835 [0,2,0,0,0,0|0,0,2]=4 5999 B13R1.371 COc1ccc(cc1)CNCCO 34a_100000185587_100000211926 [0,2,0,0,0,0|0,0,2]=4 6000 B13R1.371 COc1ccc(cc1)CNCCO 34a_100016990907_100000742318 [0,2,0,0,0,0|0,0,2]=4 6001 B13R1.371 COc1ccc(cc1)CNCSC 34a_100000185587_100011218213 [0,2,0,0,0,0|0,0,2]=4 6002 B13R1.371 COc1ccc(cc1)COCC=O 34a_100000173359_200009817547 [0,2,0,0,0,0|0,0,1]=3 6003 B13R1.371 COc1ccc(cc1)COCCBr 34a_100000211926_100000742318 [0,2,0,0,0,0|0,0,2]=4 6004 B13R1.371 COc1ccc(cc1)COCCF 34a_100000173359_100011217306 [0,2,0,0,0,0|0,0,2]=4 6005 B13R1.371 COc1ccc(cc1)COCCN 34a_100000210304_100000742318 [0,2,0,0,0,0|0,0,2]=4 6006 B13R1.371 COc1ccc(cc1)COCCO 34a_100000173359_100000211926 [0,2,0,0,0,0|0,0,2]=4 6007 B13R1.371 COc1ccc(cc1)COCSC 34a_100000173359_100011218213 [0,2,0,0,0,0|0,0,2]=4 6008 B13R1.371 COc1ccc(cc1)CSCC#N 62a_100011215382_100000742318 [0,2,0,0,0,0|0,0,2]=4 6009 B13R1.371 COc1ccc(cc1)CSCC=O 62a_200015260668_100000742318 [0,2,0,0,0,0|0,0,1]=3 6010 B13R1.371 COc1ccc(cc1)CSCCF 62a_100011217306_100000742318 [0,2,0,0,0,0|0,0,2]=4 6011 B13R1.371 COc1ccc(cc1)CSCCO 62a_100000211926_100000742318 [0,2,0,0,0,0|0,0,2]=4 6012 B13R1.371 COc1ccc(cc1)CSCSC 62a_100011218213_100000742318 [0,2,0,0,0,0|0,0,2]=4 6013 B13R1.371 COc1ccc(cc1)NCCCF 34a_100000184247_100011934791 [0,2,0,0,0,0|0,0,2]=4 6014 B13R1.371 COc1ccc(cc1)NCCCO 34a_100000184247_100000230001 [0,2,0,0,0,0|0,0,2]=4 6015 B13R1.371 COc1ccc(cc1)NCCSC 34a_100000184247_100000212216 [0,2,0,0,0,0|0,0,2]=4 6016 B13R1.371 COc1ccc(cc1)OCCCF 34a_100000210503_100011934791 [0,2,0,0,0,0|0,0,2]=4 6017 B13R1.371 COc1ccc(cc1)OCCCO 34a_100000210503_100000230001 [0,2,0,0,0,0|0,0,2]=4 6018 B13R1.371 COc1ccc(cc1)OCCN[13CH3] 2230a_100000174941_200025704644 [0,2,0,0,0,0|0,0,2]=4 6019 B13R1.371 COc1ccc(cc1)OCCN[13CH3] 34a_100000174941_200025704644 [0,2,0,0,0,0|0,0,2]=4 6020 B13R1.371 COc1ccc(cc1)OCCO[13CH3] 34a_200011305860_200025704644 [0,2,0,0,0,0|0,0,2]=4 6021 B13R1.371 COc1ccc(cc1)OCCSC 34a_100000210503_100000212216 [0,2,0,0,0,0|0,0,2]=4 6022 B13R1.371 COc1ccc(cc1)OCCSC 62a_100000183225_200000210301 [0,2,0,0,0,0|0,0,2]=4 6023 B13R1.371 COc1ccc(cc1)OCCSC 62a_200000210301_100000183225 [0,2,0,0,0,0|0,0,2]=4 6024 B13R1.371 COc1ccc(cc1)OCCS[13CH3] 62a_100000183225_200025704644 [0,2,0,0,0,0|0,0,2]=4 6025 B13R1.371 COc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183225 [0,2,0,0,0,0|0,0,2]=4 6026 B13R1.371 COc1ccc(cc1)SCCC#N 62a_100011215226_100000171711 [0,2,0,0,0,0|0,0,2]=4 6027 B13R1.371 COc1ccc(cc1)SCCCF 62a_100011934791_100000171711 [0,2,0,0,0,0|0,0,2]=4 6028 B13R1.371 COc1ccc(cc1)SCCCO 62a_100011215043_100000171711 [0,2,0,0,0,0|0,0,2]=4 6029 B13R1.371 COc1ccc(cc1)SCCSC 62a_100000212216_100000171711 [0,2,0,0,0,0|0,0,2]=4 6030 B13R1.371 COc1ccc(cc1)SCSC#N 62a_100000211825_100000171711 [0,2,0,0,0,0|1,0,1]=4 6031 B13R1.371 COc1ccc(cn1)CNCC=O 2230a_100000241975_200015260668 [0,2,0,0,0,0|1,0,1]=4 6032 B13R1.371 COc1ccc(cn1)COCC=O 34a_100000763316_200009817547 [0,2,0,0,0,0|1,0,1]=4 6033 B13R1.371 COc1ccc(cn1)CSCC=O 62a_100020631284_200015260668 [0,2,0,0,0,0|1,0,1]=4 6034 B13R1.371 COc1ccc(cn1)CSCC=O 62a_200015260668_100020631284 [0,2,0,0,0,0|1,0,1]=4 6035 B13R1.371 COc1ccc(nc1)CNCC=O 34a_100000703904_200009817547 [0,2,0,0,0,0|1,0,1]=4 6036 B13R1.371 COc1ccc(nc1)COCC=O 34a_100011998694_200009817547 [0,2,0,0,0,0|1,0,1]=4 6037 B13R1.371 COc1ccc(nc1)CSCC=O 62a_200000757186_200015260668 [0,2,0,0,0,0|1,0,1]=4 6038 B13R1.371 COc1ccc(nc1)CSCC=O 62a_200015260668_200000757186 [0,2,0,0,0,0|1,0,1]=4 6039 B13R1.371 CSc1ccc(cc1)CCNC=O 62a_200000210301_200012351260 [0,2,0,0,0,0|0,1,1]=4 6040 B13R1.371 CSc1ccc(cc1)CCNC=O 62a_200012351260_200000210301 [0,2,0,0,0,0|0,1,1]=4 6041 B13R1.371 CSc1ccc(cc1)CNCC=O 2230a_100000174980_200015260668 [0,2,0,0,0,0|0,1,1]=4 6042 B13R1.371 CSc1ccc(cc1)CNCC=O 34a_100000174980_200009817547 [0,2,0,0,0,0|0,1,1]=4 6043 B13R1.371 CSc1ccc(cc1)COCC=O 34a_100011215404_200009817547 [0,2,0,0,0,0|0,1,1]=4 6044 B13R1.371 CSc1ccc(cc1)COCC=O 7a_100011215404_200015260668 [0,2,0,0,0,0|0,1,1]=4 6045 B13R1.371 CSc1ccc(cc1)CSCC=O 62a_100000181263_200015260668 [0,2,0,0,0,0|0,1,1]=4 6046 B13R1.371 CSc1ccc(cc1)CSCC=O 62a_200015260668_100000181263 [0,2,0,0,0,0|0,1,1]=4 6047 B13R1.371 [13CH3]Sc1ccc(cc1)CCNC=O 62a_200012351260_200025704644 [0,2,0,0,0,0|0,1,1]=4 6048 B13R1.371 [13CH3]Sc1ccc(cc1)CCNC=O 62a_200025704644_200012351260 [0,2,0,0,0,0|0,1,1]=4 6049 B13R1.577 C#CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000184674 [0,2,0,0,0,0|0,0,2]=4 6050 B13R1.577 C#CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000038162 [0,2,0,0,0,0|0,0,2]=4 6051 B13R1.577 C#CCNc1ccc(c(c1)C)OC 34a_100000743268_100000184674 [0,2,0,0,0,0|0,0,2]=4 6052 B13R1.577 C#CCNc1ccc(c(c1)C)OC 7a_100000743268_100000038162 [0,2,0,0,0,0|0,0,2]=4 6053 B13R1.577 C#CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000038162 [0,2,0,0,0,0|0,0,2]=4 6054 B13R1.577 C#CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000184674 [0,2,0,0,0,0|0,0,2]=4 6055 B13R1.577 C#CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000038162 [0,2,0,0,0,0|0,0,2]=4 6056 B13R1.577 C#CCNc1ccc(c(c1)F)OC 34a_100000740183_100000184674 [0,2,0,0,0,0|0,0,2]=4 6057 B13R1.577 C#CCNc1ccc(c(c1)I)OC 34a_100011356947_100000184674 [0,2,0,0,0,0|0,0,2]=4 6058 B13R1.577 C#CCNc1ccc(c(c1)O)OC 34a_100000211920_100000184674 [0,2,0,0,0,0|0,0,2]=4 6059 B13R1.577 C#CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000184674 [0,2,0,0,0,0|0,0,2]=4 6060 B13R1.577 C#CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000038162 [0,2,0,0,0,0|0,0,2]=4 6061 B13R1.577 C#CCOc1ccc(c(c1)C)OC 34a_100000759738_100000184674 [0,2,0,0,0,0|0,0,2]=4 6062 B13R1.577 C#CCOc1ccc(c(c1)C)OC 7a_100000759738_100000038162 [0,2,0,0,0,0|0,0,2]=4 6063 B13R1.577 C#CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000184674 [0,2,0,0,0,0|0,0,2]=4 6064 B13R1.577 C#CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000038162 [0,2,0,0,0,0|0,0,2]=4 6065 B13R1.577 C#CCOc1ccc(c(c1)F)OC 34a_100000746305_100000184674 [0,2,0,0,0,0|0,0,2]=4 6066 B13R1.577 C#CCOc1ccc(c(c1)F)OC 7a_100000746305_100000038162 [0,2,0,0,0,0|0,0,2]=4 6067 B13R1.577 C#CCOc1ccc(c(c1)I)OC 34a_100010084122_100000184674 [0,2,0,0,0,0|0,0,2]=4 6068 B13R1.577 C#CCOc1ccc(c(c1)I)OC 7a_100010084122_100000038162 [0,2,0,0,0,0|0,0,2]=4 6069 B13R1.577 C#CCSc1ccc(c(c1)Br)OC 62a_100000038162_100011249507 [0,2,0,0,0,0|0,0,2]=4 6070 B13R1.577 C#CCSc1ccc(c(c1)C)OC 62a_100000038162_100011219705 [0,2,0,0,0,0|0,0,2]=4 6071 B13R1.577 C#CCSc1ccc(c(c1)Cl)OC 62a_100000038162_100012355395 [0,2,0,0,0,0|0,0,2]=4 6072 B13R1.577 C#CCSc1ccc(c(c1)F)OC 62a_100000038162_100000171752 [0,2,0,0,0,0|0,0,2]=4 6073 B13R1.577 C#CCSc1ccc(c(c1)N)OC 62a_100000038162_100011249504 [0,2,0,0,0,0|0,0,2]=4 6074 B13R1.577 C#CCSc1ccc(c(c1)O)OC 62a_100000038162_100009816560 [0,2,0,0,0,0|0,0,2]=4 6075 B13R1.577 C#Cc1ccc(cc1Cl)NCC=C 2230a_100012001888_100000210623 [0,2,0,0,0,0|1,0,1]=4 6076 B13R1.577 C#Cc1ccc(cc1Cl)NCC=C 34a_100012001888_100015514636 [0,2,0,0,0,0|1,0,1]=4 6077 B13R1.577 C#Cc1ccc(cc1F)NCC=C 2230a_100012001886_100000210623 [0,2,0,0,0,0|1,0,1]=4 6078 B13R1.577 C#Cc1ccc(cc1F)NCC=C 34a_100012001886_100015514636 [0,2,0,0,0,0|1,0,1]=4 6079 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 27a_100020586998_100012349582 [0,2,0,0,0,0|2,0,0]=4 6080 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 34a_100000689153_100015514636 [0,2,0,0,0,0|2,0,0]=4 6081 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 7a_100000689153_100015514636 [0,2,0,0,0,0|2,0,0]=4 6082 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [0,2,0,0,0,0|0,0,0]=2 6083 B13R1.577 C=CCNc1ccc(c(c1)C)C#N 34a_100011999795_100015514636 [0,2,0,0,0,0|2,0,0]=4 6084 B13R1.577 C=CCNc1ccc(c(c1)C)C#N 7a_100011999795_100015514636 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.577 C=CCNc1ccc(c(c1)C)CO 34a_100000102464_100015514636 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [0,2,0,0,0,0|0,0,0]=2 6087 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [0,2,0,0,0,0|0,0,0]=2 6088 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [0,2,0,0,0,0|0,0,0]=2 6089 B13R1.577 C=CCNc1ccc(c(c1)Cl)C#N 34a_100000211542_100015514636 [0,2,0,0,0,0|2,0,0]=4 6090 B13R1.577 C=CCNc1ccc(c(c1)Cl)C#N 7a_100000211542_100015514636 [0,2,0,0,0,0|2,0,0]=4 6091 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210623 [0,2,0,0,0,0|1,0,0]=3 6092 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100015514636 [0,2,0,0,0,0|1,0,0]=3 6093 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100015514636 [0,2,0,0,0,0|1,0,0]=3 6094 B13R1.577 C=CCNc1ccc(c(c1)Cl)CO 34a_100000689119_100015514636 [0,2,0,0,0,0|2,0,0]=4 6095 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [0,2,0,0,0,0|0,0,0]=2 6096 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [0,2,0,0,0,0|0,0,0]=2 6097 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 27a_100020586998_100000037869 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 34a_100000765089_100015514636 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 7a_100000765089_100015514636 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [0,2,0,0,0,0|0,0,0]=2 6101 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [0,2,0,0,0,0|0,0,0]=2 6102 B13R1.577 C=CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210623 [0,2,0,0,0,0|0,1,0]=3 6103 B13R1.577 C=CCNc1ccc(c(c1)F)SC 34a_100000762756_100015514636 [0,2,0,0,0,0|0,1,0]=3 6104 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [0,2,0,0,0,0|0,0,0]=2 6105 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 34a_100000094571_100015514636 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 7a_100000094571_100015514636 [0,2,0,0,0,0|2,0,0]=4 6107 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [0,2,0,0,0,0|0,0,0]=2 6108 B13R1.577 C=CCNc1ccc(c(n1)F)OC 27a_100020586998_100010138636 [0,2,0,0,0,0|1,0,0]=3 6109 B13R1.577 C=CCNc1ncc(c(n1)C)OC 27a_100020586998_100010382893 [0,2,0,0,0,0|2,0,0]=4 6110 B13R1.577 C=CCOc1ccc(c(c1)Br)C#N 34a_100012184851_100015514636 [0,2,0,0,0,0|2,0,0]=4 6111 B13R1.577 C=CCOc1ccc(c(c1)Br)C#N 7a_100012184851_100015514636 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.577 C=CCOc1ccc(c(c1)Br)CO 34a_100010146404_100015514636 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.577 C=CCOc1ccc(c(c1)Br)CO 7a_100010146404_100015514636 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [0,2,0,0,0,0|0,0,0]=2 6115 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [0,2,0,0,0,0|0,0,0]=2 6116 B13R1.577 C=CCOc1ccc(c(c1)C)C#N 34a_100000720286_100015514636 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.577 C=CCOc1ccc(c(c1)C)C#N 7a_100000720286_100015514636 [0,2,0,0,0,0|2,0,0]=4 6118 B13R1.577 C=CCOc1ccc(c(c1)C)NC 34a_100161107805_100015514636 [0,2,0,0,0,0|1,0,0]=3 6119 B13R1.577 C=CCOc1ccc(c(c1)C)NC 7a_100161107805_100015514636 [0,2,0,0,0,0|1,0,0]=3 6120 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [0,2,0,0,0,0|0,0,0]=2 6121 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [0,2,0,0,0,0|0,0,0]=2 6122 B13R1.577 C=CCOc1ccc(c(c1)C)SC 34a_100000030144_100015514636 [0,2,0,0,0,0|0,1,0]=3 6123 B13R1.577 C=CCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100015514636 [0,2,0,0,0,0|2,0,0]=4 6124 B13R1.577 C=CCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100015514636 [0,2,0,0,0,0|2,0,0]=4 6125 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100015514636 [0,2,0,0,0,0|1,0,0]=3 6126 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100015514636 [0,2,0,0,0,0|1,0,0]=3 6127 B13R1.577 C=CCOc1ccc(c(c1)Cl)CN 34a_200161156549_100015514636 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.577 C=CCOc1ccc(c(c1)Cl)CO 34a_200000075811_100015514636 [0,2,0,0,0,0|2,0,0]=4 6129 B13R1.577 C=CCOc1ccc(c(c1)Cl)CO 7a_200000075811_100015514636 [0,2,0,0,0,0|2,0,0]=4 6130 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [0,2,0,0,0,0|0,0,0]=2 6131 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [0,2,0,0,0,0|0,0,0]=2 6132 B13R1.577 C=CCOc1ccc(c(c1)F)C#N 34a_100000753931_100015514636 [0,2,0,0,0,0|2,0,0]=4 6133 B13R1.577 C=CCOc1ccc(c(c1)F)C#N 7a_100000753931_100015514636 [0,2,0,0,0,0|2,0,0]=4 6134 B13R1.577 C=CCOc1ccc(c(c1)F)CO 34a_100000084598_100015514636 [0,2,0,0,0,0|2,0,0]=4 6135 B13R1.577 C=CCOc1ccc(c(c1)F)CO 7a_100000084598_100015514636 [0,2,0,0,0,0|2,0,0]=4 6136 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [0,2,0,0,0,0|0,0,0]=2 6137 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [0,2,0,0,0,0|0,0,0]=2 6138 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [0,2,0,0,0,0|0,0,0]=2 6139 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [0,2,0,0,0,0|0,0,0]=2 6140 B13R1.577 C=CCSc1cc(c(cn1)NC)N 62a_100000210623_200015721873 [0,2,0,0,0,0|2,0,0]=4 6141 B13R1.577 C=CCSc1cc(c(cn1)NC)N 62a_200015721873_100000210623 [0,2,0,0,0,0|2,0,0]=4 6142 B13R1.577 C=CCSc1cc(c(cn1)OC)N 62a_100000210623_100010896307 [0,2,0,0,0,0|1,0,0]=3 6143 B13R1.577 C=CCSc1cc(c(cn1)OC)N 62a_100010896307_100000210623 [0,2,0,0,0,0|1,0,0]=3 6144 B13R1.577 C=CCSc1cc(c(cn1)OC)O 62a_100000210623_100010264082 [0,2,0,0,0,0|1,0,0]=3 6145 B13R1.577 C=CCSc1cc(c(nn1)OC)C 62a_100000210623_100010272851 [0,2,0,0,0,0|2,0,0]=4 6146 B13R1.577 C=CCSc1cc(c(nn1)OC)C 62a_100010272851_100000210623 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.577 C=CCSc1cc(c(nn1)OC)N 62a_100000210623_100009869743 [0,2,0,0,0,0|2,0,0]=4 6148 B13R1.577 C=CCSc1cc(c(nn1)OC)N 62a_100009869743_100000210623 [0,2,0,0,0,0|2,0,0]=4 6149 B13R1.577 C=CCSc1ccc(c(c1)Br)C#N 62a_100000210623_100012349582 [0,2,0,0,0,0|2,0,0]=4 6150 B13R1.577 C=CCSc1ccc(c(c1)Br)C#N 62a_100012349582_100000210623 [0,2,0,0,0,0|2,0,0]=4 6151 B13R1.577 C=CCSc1ccc(c(c1)Br)C=O 62a_100000210623_100010185650 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.577 C=CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210623 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.577 C=CCSc1ccc(c(c1)Br)CO 62a_100000210623_100010240206 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.577 C=CCSc1ccc(c(c1)Br)CO 62a_100010240206_100000210623 [0,2,0,0,0,0|2,0,0]=4 6155 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [0,2,0,0,0,0|0,0,0]=2 6156 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [0,2,0,0,0,0|0,0,0]=2 6157 B13R1.577 C=CCSc1ccc(c(c1)C)C#N 62a_100000210623_100000687762 [0,2,0,0,0,0|2,0,0]=4 6158 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000210623_100000766358 [0,2,0,0,0,0|2,0,0]=4 6159 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210623 [0,2,0,0,0,0|2,0,0]=4 6160 B13R1.577 C=CCSc1ccc(c(c1)C)CF 62a_100000210623_200010711859 [0,2,0,0,0,0|2,0,0]=4 6161 B13R1.577 C=CCSc1ccc(c(c1)C)CF 62a_200010711859_100000210623 [0,2,0,0,0,0|2,0,0]=4 6162 B13R1.577 C=CCSc1ccc(c(c1)C)CN 62a_100000210623_100000753881 [0,2,0,0,0,0|2,0,0]=4 6163 B13R1.577 C=CCSc1ccc(c(c1)C)CN 62a_100000753881_100000210623 [0,2,0,0,0,0|2,0,0]=4 6164 B13R1.577 C=CCSc1ccc(c(c1)C)CO 62a_100000210623_100000748258 [0,2,0,0,0,0|2,0,0]=4 6165 B13R1.577 C=CCSc1ccc(c(c1)C)CO 62a_100000748258_100000210623 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000210623_100000221803 [0,2,0,0,0,0|1,0,0]=3 6167 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000221803_100000210623 [0,2,0,0,0,0|1,0,0]=3 6168 B13R1.577 C=CCSc1ccc(c(c1)C)NN 62a_100000210623_100000751375 [0,2,0,0,0,0|2,0,0]=4 6169 B13R1.577 C=CCSc1ccc(c(c1)C)NN 62a_100000751375_100000210623 [0,2,0,0,0,0|2,0,0]=4 6170 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [0,2,0,0,0,0|0,0,0]=2 6171 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [0,2,0,0,0,0|0,0,0]=2 6172 B13R1.577 C=CCSc1ccc(c(c1)Cl)C#N 62a_100000210623_100012349662 [0,2,0,0,0,0|2,0,0]=4 6173 B13R1.577 C=CCSc1ccc(c(c1)Cl)C=O 62a_100000210623_100000727542 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.577 C=CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210623 [0,2,0,0,0,0|2,0,0]=4 6175 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [0,2,0,0,0,0|0,0,0]=2 6176 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [0,2,0,0,0,0|0,0,0]=2 6177 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_100000210623_206447510565 [0,2,0,0,0,0|0,1,0]=3 6178 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210623 [0,2,0,0,0,0|0,1,0]=3 6179 B13R1.577 C=CCSc1ccc(c(c1)F)C#N 62a_100000210623_100000037869 [0,2,0,0,0,0|2,0,0]=4 6180 B13R1.577 C=CCSc1ccc(c(c1)F)C=C 62a_100000210623_100011935271 [0,2,0,0,0,0|1,0,1]=4 6181 B13R1.577 C=CCSc1ccc(c(c1)F)C=C 62a_100011935271_100000210623 [0,2,0,0,0,0|1,0,1]=4 6182 B13R1.577 C=CCSc1ccc(c(c1)F)C=O 62a_100000210623_100000211676 [0,2,0,0,0,0|2,0,0]=4 6183 B13R1.577 C=CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210623 [0,2,0,0,0,0|2,0,0]=4 6184 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_100000210623_200010071577 [0,2,0,0,0,0|1,0,0]=3 6185 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210623 [0,2,0,0,0,0|1,0,0]=3 6186 B13R1.577 C=CCSc1ccc(c(c1)F)CN 62a_100000210623_100000754580 [0,2,0,0,0,0|2,0,0]=4 6187 B13R1.577 C=CCSc1ccc(c(c1)F)CN 62a_100000754580_100000210623 [0,2,0,0,0,0|2,0,0]=4 6188 B13R1.577 C=CCSc1ccc(c(c1)F)CO 62a_100000210623_100011191541 [0,2,0,0,0,0|2,0,0]=4 6189 B13R1.577 C=CCSc1ccc(c(c1)F)CO 62a_100011191541_100000210623 [0,2,0,0,0,0|2,0,0]=4 6190 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000210623_100000743884 [0,2,0,0,0,0|1,0,0]=3 6191 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000743884_100000210623 [0,2,0,0,0,0|1,0,0]=3 6192 B13R1.577 C=CCSc1ccc(c(c1)F)NN 62a_100000210623_100000751572 [0,2,0,0,0,0|2,0,0]=4 6193 B13R1.577 C=CCSc1ccc(c(c1)F)NN 62a_100000751572_100000210623 [0,2,0,0,0,0|2,0,0]=4 6194 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [0,2,0,0,0,0|0,0,0]=2 6195 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [0,2,0,0,0,0|0,0,0]=2 6196 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100000210623_100010161220 [0,2,0,0,0,0|0,1,0]=3 6197 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100010161220_100000210623 [0,2,0,0,0,0|0,1,0]=3 6198 B13R1.577 C=CCSc1ccc(c(c1)N)C#N 62a_100000210623_100000699244 [0,2,0,0,0,0|2,0,0]=4 6199 B13R1.577 C=CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210623 [0,2,0,0,0,0|2,0,0]=4 6200 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100000210623_100012354963 [0,2,0,0,0,0|1,0,0]=3 6201 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210623 [0,2,0,0,0,0|1,0,0]=3 6202 B13R1.577 C=CCSc1ccc(c(c1)N)CO 62a_100000210623_100000718831 [0,2,0,0,0,0|2,0,0]=4 6203 B13R1.577 C=CCSc1ccc(c(c1)N)CO 62a_100000718831_100000210623 [0,2,0,0,0,0|2,0,0]=4 6204 B13R1.577 C=CCSc1ccc(c(c1)N)NC 62a_100000741790_100000210623 [0,2,0,0,0,0|1,0,0]=3 6205 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [0,2,0,0,0,0|0,0,0]=2 6206 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [0,2,0,0,0,0|0,0,0]=2 6207 B13R1.577 C=CCSc1ccc(c(c1)O)C#N 62a_100000210623_100011934713 [0,2,0,0,0,0|2,0,0]=4 6208 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100000210623_100011277552 [0,2,0,0,0,0|2,0,0]=4 6209 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210623 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210623 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000210623_100000071718 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [0,2,0,0,0,0|0,0,0]=2 6213 B13R1.577 C=CCSc1ccc(c(n1)Br)OC 62a_100000210623_100010214827 [0,2,0,0,0,0|1,0,0]=3 6214 B13R1.577 C=CCSc1ccc(c(n1)Br)OC 62a_100010214827_100000210623 [0,2,0,0,0,0|1,0,0]=3 6215 B13R1.577 C=CCSc1ccc(c(n1)C)OC 62a_100000210623_100010244750 [0,2,0,0,0,0|1,0,0]=3 6216 B13R1.577 C=CCSc1ccc(c(n1)C)OC 62a_100010244750_100000210623 [0,2,0,0,0,0|1,0,0]=3 6217 B13R1.577 C=CCSc1ccc(c(n1)Cl)OC 62a_100000210623_100010233546 [0,2,0,0,0,0|1,0,0]=3 6218 B13R1.577 C=CCSc1ccc(c(n1)F)OC 62a_100000210623_100010138636 [0,2,0,0,0,0|1,0,0]=3 6219 B13R1.577 C=CCSc1ccc(c(n1)F)OC 62a_100010138636_100000210623 [0,2,0,0,0,0|1,0,0]=3 6220 B13R1.577 C=CCSc1ccc(c(n1)N)OC 62a_100010192976_100000210623 [0,2,0,0,0,0|1,0,0]=3 6221 B13R1.577 C=CCSc1cnc(c(c1)Br)OC 62a_100000210623_200010988584 [0,2,0,0,0,0|1,0,0]=3 6222 B13R1.577 C=CCSc1cnc(c(c1)Br)OC 62a_200010988584_100000210623 [0,2,0,0,0,0|1,0,0]=3 6223 B13R1.577 C=CCSc1cnc(c(c1)C)NC 62a_100000210623_100012357622 [0,2,0,0,0,0|2,0,0]=4 6224 B13R1.577 C=CCSc1cnc(c(c1)C)NC 62a_100012357622_100000210623 [0,2,0,0,0,0|2,0,0]=4 6225 B13R1.577 C=CCSc1cnc(c(c1)C)OC 62a_100000210623_100011290809 [0,2,0,0,0,0|1,0,0]=3 6226 B13R1.577 C=CCSc1cnc(c(c1)C)OC 62a_100011290809_100000210623 [0,2,0,0,0,0|1,0,0]=3 6227 B13R1.577 C=CCSc1cnc(c(c1)F)OC 62a_100000210623_100011880707 [0,2,0,0,0,0|1,0,0]=3 6228 B13R1.577 C=CCSc1cnc(c(c1)F)OC 62a_100011880707_100000210623 [0,2,0,0,0,0|1,0,0]=3 6229 B13R1.577 C=CCSc1cnc(c(c1)N)NC 62a_100000210623_100011432983 [0,2,0,0,0,0|2,0,0]=4 6230 B13R1.577 C=CCSc1cnc(c(c1)N)NC 62a_100011432983_100000210623 [0,2,0,0,0,0|2,0,0]=4 6231 B13R1.577 C=CCSc1cnc(c(c1)N)OC 62a_100000210623_100000748608 [0,2,0,0,0,0|1,0,0]=3 6232 B13R1.577 C=CCSc1cnc(c(c1)N)OC 62a_100000748608_100000210623 [0,2,0,0,0,0|1,0,0]=3 6233 B13R1.577 C=CCSc1cnc(c(c1)O)OC 62a_100000210623_100010135713 [0,2,0,0,0,0|1,0,0]=3 6234 B13R1.577 C=CCSc1ncc(c(n1)C)OC 62a_100000210623_100010382893 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.577 C=CCSc1ncc(c(n1)C)OC 62a_100010382893_100000210623 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.577 C=CCSc1ncc(c(n1)N)OC 62a_100000210623_100009886850 [0,2,0,0,0,0|2,0,0]=4 6237 B13R1.577 C=CCSc1ncc(c(n1)N)OC 62a_100009886850_100000210623 [0,2,0,0,0,0|2,0,0]=4 6238 B13R1.577 CC=NNc1ccc(c(c1)Cl)OC 4a_100000699481_200000210099 [0,2,0,0,0,0|1,0,1]=4 6239 B13R1.577 CCCCc1ccc(c(c1)Br)OC 271570a_100020621405_100011249507 [0,2,0,0,0,0|0,0,2]=4 6240 B13R1.577 CCCCc1ccc(c(c1)C)OC 271570a_100020621405_100011219705 [0,2,0,0,0,0|0,0,2]=4 6241 B13R1.577 CCCCc1ccc(c(c1)Cl)OC 271570a_100020621405_100012355395 [0,2,0,0,0,0|0,0,2]=4 6242 B13R1.577 CCCCc1ccc(c(c1)F)OC 271570a_100020621405_100000185480 [0,2,0,0,0,0|0,0,2]=4 6243 B13R1.577 CCCCc1ccc(c(c1)N)OC 271570a_100020621405_100000743470 [0,2,0,0,0,0|0,0,2]=4 6244 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [0,2,0,0,0,0|0,0,2]=4 6245 B13R1.577 CCCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210303 [0,2,0,0,0,0|0,0,2]=4 6246 B13R1.577 CCCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210303 [0,2,0,0,0,0|0,0,2]=4 6247 B13R1.577 CCCNc1ccc(c(c1)C)OC 34a_100000743268_100000210303 [0,2,0,0,0,0|0,0,2]=4 6248 B13R1.577 CCCNc1ccc(c(c1)C)OC 7a_100000743268_100000210303 [0,2,0,0,0,0|0,0,2]=4 6249 B13R1.577 CCCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210303 [0,2,0,0,0,0|0,0,2]=4 6250 B13R1.577 CCCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210303 [0,2,0,0,0,0|0,0,2]=4 6251 B13R1.577 CCCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210303 [0,2,0,0,0,0|0,0,2]=4 6252 B13R1.577 CCCNc1ccc(c(c1)F)OC 34a_100000740183_100000210303 [0,2,0,0,0,0|0,0,2]=4 6253 B13R1.577 CCCNc1ccc(c(c1)I)OC 34a_100011356947_100000210303 [0,2,0,0,0,0|0,0,2]=4 6254 B13R1.577 CCCNc1ccc(c(c1)O)OC 34a_100000211920_100000210303 [0,2,0,0,0,0|0,0,2]=4 6255 B13R1.577 CCCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210303 [0,2,0,0,0,0|0,0,2]=4 6256 B13R1.577 CCCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210303 [0,2,0,0,0,0|0,0,2]=4 6257 B13R1.577 CCCOc1ccc(c(c1)C)OC 34a_100000759738_100000210303 [0,2,0,0,0,0|0,0,2]=4 6258 B13R1.577 CCCOc1ccc(c(c1)C)OC 7a_100000759738_100000210303 [0,2,0,0,0,0|0,0,2]=4 6259 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210303 [0,2,0,0,0,0|0,0,2]=4 6260 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210303 [0,2,0,0,0,0|0,0,2]=4 6261 B13R1.577 CCCOc1ccc(c(c1)F)OC 34a_100000746305_100000210303 [0,2,0,0,0,0|0,0,2]=4 6262 B13R1.577 CCCOc1ccc(c(c1)F)OC 7a_100000746305_100000210303 [0,2,0,0,0,0|0,0,2]=4 6263 B13R1.577 CCCOc1ccc(c(c1)I)OC 34a_100010084122_100000210303 [0,2,0,0,0,0|0,0,2]=4 6264 B13R1.577 CCCOc1ccc(c(c1)I)OC 7a_100010084122_100000210303 [0,2,0,0,0,0|0,0,2]=4 6265 B13R1.577 CCCSc1ccc(c(c1)Br)OC 62a_100000210303_100011249507 [0,2,0,0,0,0|0,0,2]=4 6266 B13R1.577 CCCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210303 [0,2,0,0,0,0|0,0,2]=4 6267 B13R1.577 CCCSc1ccc(c(c1)C)OC 62a_100000210303_100011219705 [0,2,0,0,0,0|0,0,2]=4 6268 B13R1.577 CCCSc1ccc(c(c1)C)OC 62a_100011219705_100000210303 [0,2,0,0,0,0|0,0,2]=4 6269 B13R1.577 CCCSc1ccc(c(c1)Cl)OC 62a_100000210303_100012355395 [0,2,0,0,0,0|0,0,2]=4 6270 B13R1.577 CCCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210303 [0,2,0,0,0,0|0,0,2]=4 6271 B13R1.577 CCCSc1ccc(c(c1)F)OC 62a_100000171752_100000210303 [0,2,0,0,0,0|0,0,2]=4 6272 B13R1.577 CCCSc1ccc(c(c1)F)OC 62a_100000210303_100000171752 [0,2,0,0,0,0|0,0,2]=4 6273 B13R1.577 CCCSc1ccc(c(c1)N)OC 62a_100000210303_100011249504 [0,2,0,0,0,0|0,0,2]=4 6274 B13R1.577 CCCSc1ccc(c(c1)N)OC 62a_100011249504_100000210303 [0,2,0,0,0,0|0,0,2]=4 6275 B13R1.577 CCCSc1ccc(c(c1)O)OC 62a_100000210303_100009816560 [0,2,0,0,0,0|0,0,2]=4 6276 B13R1.577 CCNCc1ccc(c(c1)Br)OC 207a_100015525214_100000173361 [0,2,0,0,0,0|0,0,2]=4 6277 B13R1.577 CCNCc1ccc(c(c1)Br)OC 2230a_100015525214_200011397701 [0,2,0,0,0,0|0,0,2]=4 6278 B13R1.577 CCNCc1ccc(c(c1)Br)OC 270004a_100015525214_100000173361 [0,2,0,0,0,0|0,0,2]=4 6279 B13R1.577 CCNCc1ccc(c(c1)Br)OC 34a_100159240714_100000210202 [0,2,0,0,0,0|0,0,2]=4 6280 B13R1.577 CCNCc1ccc(c(c1)C)OC 207a_100015525214_100000239718 [0,2,0,0,0,0|0,0,2]=4 6281 B13R1.577 CCNCc1ccc(c(c1)C)OC 2230a_100015525214_200011290836 [0,2,0,0,0,0|0,0,2]=4 6282 B13R1.577 CCNCc1ccc(c(c1)C)OC 2230a_100102679029_100000210202 [0,2,0,0,0,0|0,0,2]=4 6283 B13R1.577 CCNCc1ccc(c(c1)C)OC 270004a_100015525214_100000239718 [0,2,0,0,0,0|0,0,2]=4 6284 B13R1.577 CCNCc1ccc(c(c1)C)OC 34a_100102679029_100000210202 [0,2,0,0,0,0|0,0,2]=4 6285 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 207a_100015525214_100000186747 [0,2,0,0,0,0|0,0,2]=4 6286 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 2230a_100000008799_100000210202 [0,2,0,0,0,0|0,0,2]=4 6287 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 2230a_100015525214_100000693707 [0,2,0,0,0,0|0,0,2]=4 6288 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 270004a_100015525214_100000186747 [0,2,0,0,0,0|0,0,2]=4 6289 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 34a_100000008799_100000210202 [0,2,0,0,0,0|0,0,2]=4 6290 B13R1.577 CCNCc1ccc(c(c1)F)OC 207a_100015525214_100000204617 [0,2,0,0,0,0|0,0,2]=4 6291 B13R1.577 CCNCc1ccc(c(c1)F)OC 2230a_100000737316_100000210202 [0,2,0,0,0,0|0,0,2]=4 6292 B13R1.577 CCNCc1ccc(c(c1)F)OC 2230a_100015525214_100000189595 [0,2,0,0,0,0|0,0,2]=4 6293 B13R1.577 CCNCc1ccc(c(c1)F)OC 270004a_100015525214_100000204617 [0,2,0,0,0,0|0,0,2]=4 6294 B13R1.577 CCNCc1ccc(c(c1)F)OC 34a_100000737316_100000210202 [0,2,0,0,0,0|0,0,2]=4 6295 B13R1.577 CCNCc1ccc(c(c1)I)OC 207a_100015525214_100009827998 [0,2,0,0,0,0|0,0,2]=4 6296 B13R1.577 CCNCc1ccc(c(c1)I)OC 270004a_100015525214_100009827998 [0,2,0,0,0,0|0,0,2]=4 6297 B13R1.577 CCNCc1ccc(c(c1)O)OC 34a_100000740000_100000210202 [0,2,0,0,0,0|0,0,2]=4 6298 B13R1.577 CCOCc1ccc(c(c1)Br)OC 34a_100000246451_100000210202 [0,2,0,0,0,0|0,0,2]=4 6299 B13R1.577 CCOCc1ccc(c(c1)Br)OC 34a_100121572206_200011397701 [0,2,0,0,0,0|0,0,2]=4 6300 B13R1.577 CCOCc1ccc(c(c1)Br)OC 7a_100000246451_100000210202 [0,2,0,0,0,0|0,0,2]=4 6301 B13R1.577 CCOCc1ccc(c(c1)C)OC 34a_100121572206_200011290836 [0,2,0,0,0,0|0,0,2]=4 6302 B13R1.577 CCOCc1ccc(c(c1)C)OC 34a_200011290855_100000210202 [0,2,0,0,0,0|0,0,2]=4 6303 B13R1.577 CCOCc1ccc(c(c1)C)OC 7a_200011290855_100000210202 [0,2,0,0,0,0|0,0,2]=4 6304 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 34a_100000694469_100000210202 [0,2,0,0,0,0|0,0,2]=4 6305 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 34a_100121572206_100000693707 [0,2,0,0,0,0|0,0,2]=4 6306 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 7a_100000694469_100000210202 [0,2,0,0,0,0|0,0,2]=4 6307 B13R1.577 CCOCc1ccc(c(c1)F)OC 34a_100000246395_100000210202 [0,2,0,0,0,0|0,0,2]=4 6308 B13R1.577 CCOCc1ccc(c(c1)F)OC 34a_100121572206_100000189595 [0,2,0,0,0,0|0,0,2]=4 6309 B13R1.577 CCOCc1ccc(c(c1)F)OC 7a_100000246395_100000210202 [0,2,0,0,0,0|0,0,2]=4 6310 B13R1.577 CCOCc1ccc(c(c1)I)OC 34a_200000013966_100000210202 [0,2,0,0,0,0|0,0,2]=4 6311 B13R1.577 CCOCc1ccc(c(c1)I)OC 7a_200000013966_100000210202 [0,2,0,0,0,0|0,0,2]=4 6312 B13R1.577 CCOCc1ccc(c(c1)N)OC 34a_100011269841_100000210202 [0,2,0,0,0,0|0,0,2]=4 6313 B13R1.577 CCSCc1ccc(c(c1)Br)OC 62a_100000210202_200011397701 [0,2,0,0,0,0|0,0,2]=4 6314 B13R1.577 CCSCc1ccc(c(c1)Br)OC 62a_200011397701_100000210202 [0,2,0,0,0,0|0,0,2]=4 6315 B13R1.577 CCSCc1ccc(c(c1)C)OC 62a_100000210202_200011290836 [0,2,0,0,0,0|0,0,2]=4 6316 B13R1.577 CCSCc1ccc(c(c1)C)OC 62a_200011290836_100000210202 [0,2,0,0,0,0|0,0,2]=4 6317 B13R1.577 CCSCc1ccc(c(c1)Cl)OC 62a_100000210202_100000693707 [0,2,0,0,0,0|0,0,2]=4 6318 B13R1.577 CCSCc1ccc(c(c1)Cl)OC 62a_100000693707_100000210202 [0,2,0,0,0,0|0,0,2]=4 6319 B13R1.577 CCSCc1ccc(c(c1)F)OC 62a_100000189595_100000210202 [0,2,0,0,0,0|0,0,2]=4 6320 B13R1.577 CCSCc1ccc(c(c1)F)OC 62a_100000210202_100000189595 [0,2,0,0,0,0|0,0,2]=4 6321 B13R1.577 CCc1ccc(cc1Cl)NCC=O 2230a_100000766362_200015260668 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.577 CCc1ccc(cc1Cl)NCC=O 34a_100000766362_200009817547 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.577 CCc1ccc(cc1Cl)NCC=O 7a_100000766362_200015260668 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.577 CCc1ccc(cc1Cl)OCC=O 34a_100009886192_200009817547 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.577 CCc1ccc(cc1Cl)OCC=O 7a_100009886192_200015260668 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.577 CCc1ccc(cc1F)SCC=O 62a_200010071577_200015260668 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.577 CCc1ccc(cc1F)SCC=O 62a_200015260668_200010071577 [0,2,0,0,0,0|2,0,0]=4 6328 B13R1.577 CCc1ccc(cc1N)SCC=O 62a_100012354963_200015260668 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.577 CCc1ccc(cc1N)SCC=O 62a_200015260668_100012354963 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.577 CNCCc1ccc(c(c1)Br)OC 2230a_103549771065_200000210301 [0,2,0,0,0,0|0,0,2]=4 6331 B13R1.577 CNCCc1ccc(c(c1)Br)OC 34a_103549771065_200000210301 [0,2,0,0,0,0|0,0,2]=4 6332 B13R1.577 CNCCc1ccc(c(c1)Cl)OC 2230a_100025770840_200000210301 [0,2,0,0,0,0|0,0,2]=4 6333 B13R1.577 CNCCc1ccc(c(c1)Cl)OC 34a_100025770840_200000210301 [0,2,0,0,0,0|0,0,2]=4 6334 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [0,2,0,0,0,0|0,0,2]=4 6335 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [0,2,0,0,0,0|0,0,2]=4 6336 B13R1.577 CNc1ccc(cc1C)OCC=O 34a_100161107805_200009817547 [0,2,0,0,0,0|2,0,0]=4 6337 B13R1.577 CNc1ccc(cc1C)OCC=O 7a_100161107805_200015260668 [0,2,0,0,0,0|2,0,0]=4 6338 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_100000221803_200015260668 [0,2,0,0,0,0|2,0,0]=4 6339 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_200015260668_100000221803 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.577 CNc1ccc(cc1F)SCC=O 62a_100000743884_200015260668 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.577 CNc1ccc(cc1F)SCC=O 62a_200015260668_100000743884 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.577 CNc1ccc(cc1N)SCC=O 62a_100000741790_200015260668 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.577 COCCc1ccc(c(c1)Br)OC 34a_100011962876_200000210301 [0,2,0,0,0,0|0,0,2]=4 6344 B13R1.577 COCCc1ccc(c(c1)Br)OC 7a_100011962876_200000210301 [0,2,0,0,0,0|0,0,2]=4 6345 B13R1.577 COCCc1ccc(c(c1)F)OC 34a_100011755164_200000210301 [0,2,0,0,0,0|0,0,2]=4 6346 B13R1.577 COCCc1ccc(c(c1)F)OC 7a_100011755164_200000210301 [0,2,0,0,0,0|0,0,2]=4 6347 B13R1.577 COCNc1ccc(c(c1)C)OC 2230a_100000743268_100000766300 [0,2,0,0,0,0|1,0,1]=4 6348 B13R1.577 COCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000766300 [0,2,0,0,0,0|1,0,1]=4 6349 B13R1.577 COCNc1ccc(c(c1)F)OC 2230a_100000740183_100000766300 [0,2,0,0,0,0|1,0,1]=4 6350 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [0,2,0,0,0,0|1,0,1]=4 6351 B13R1.577 COCSc1ccc(c(c1)Br)OC 62a_100000766300_100011249507 [0,2,0,0,0,0|1,0,1]=4 6352 B13R1.577 COCSc1ccc(c(c1)Br)OC 62a_100011249507_100000766300 [0,2,0,0,0,0|1,0,1]=4 6353 B13R1.577 COCSc1ccc(c(c1)C)OC 62a_100000766300_100011219705 [0,2,0,0,0,0|1,0,1]=4 6354 B13R1.577 COCSc1ccc(c(c1)C)OC 62a_100011219705_100000766300 [0,2,0,0,0,0|1,0,1]=4 6355 B13R1.577 COCSc1ccc(c(c1)Cl)OC 62a_100000766300_100012355395 [0,2,0,0,0,0|1,0,1]=4 6356 B13R1.577 COCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000766300 [0,2,0,0,0,0|1,0,1]=4 6357 B13R1.577 COCSc1ccc(c(c1)F)OC 62a_100000171752_100000766300 [0,2,0,0,0,0|1,0,1]=4 6358 B13R1.577 COCSc1ccc(c(c1)F)OC 62a_100000766300_100000171752 [0,2,0,0,0,0|1,0,1]=4 6359 B13R1.577 COCSc1ccc(c(c1)N)OC 62a_100000766300_100011249504 [0,2,0,0,0,0|1,0,1]=4 6360 B13R1.577 COCSc1ccc(c(c1)N)OC 62a_100011249504_100000766300 [0,2,0,0,0,0|1,0,1]=4 6361 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [0,2,0,0,0,0|1,0,1]=4 6362 B13R1.577 COc1ccc(cc1Br)CCN[13CH3] 2230a_103549771065_200025704644 [0,2,0,0,0,0|0,0,2]=4 6363 B13R1.577 COc1ccc(cc1Br)CCN[13CH3] 34a_103549771065_200025704644 [0,2,0,0,0,0|0,0,2]=4 6364 B13R1.577 COc1ccc(cc1Br)CCO[13CH3] 34a_100011962876_200025704644 [0,2,0,0,0,0|0,0,2]=4 6365 B13R1.577 COc1ccc(cc1Br)CCO[13CH3] 7a_100011962876_200025704644 [0,2,0,0,0,0|0,0,2]=4 6366 B13R1.577 COc1ccc(cc1Br)CNCF 34a_100159240714_100015361967 [0,2,0,0,0,0|1,0,1]=4 6367 B13R1.577 COc1ccc(cc1Br)COCF 34a_100000246451_100015361967 [0,2,0,0,0,0|1,0,1]=4 6368 B13R1.577 COc1ccc(cc1Br)COCF 7a_100000246451_100015361967 [0,2,0,0,0,0|1,0,1]=4 6369 B13R1.577 COc1ccc(cc1Br)CSCF 62a_100015361967_200011397701 [0,2,0,0,0,0|1,0,1]=4 6370 B13R1.577 COc1ccc(cc1Br)CSCF 62a_200011397701_100015361967 [0,2,0,0,0,0|1,0,1]=4 6371 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [0,2,0,0,0,0|1,0,0]=3 6372 B13R1.577 COc1ccc(cc1Br)NCCF 34a_100000187427_100011217306 [0,2,0,0,0,0|1,0,1]=4 6373 B13R1.577 COc1ccc(cc1Br)NCCO 34a_100000187427_100000211926 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.577 COc1ccc(cc1Br)NCSC 34a_100000187427_100011218213 [0,2,0,0,0,0|1,0,1]=4 6375 B13R1.577 COc1ccc(cc1Br)OCC#N 7a_100010234764_100011215382 [0,2,0,0,0,0|1,0,1]=4 6376 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [0,2,0,0,0,0|1,0,0]=3 6377 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [0,2,0,0,0,0|1,0,0]=3 6378 B13R1.577 COc1ccc(cc1Br)OCCF 34a_100010234764_100011217306 [0,2,0,0,0,0|1,0,1]=4 6379 B13R1.577 COc1ccc(cc1Br)OCCF 7a_100010234764_100011217306 [0,2,0,0,0,0|1,0,1]=4 6380 B13R1.577 COc1ccc(cc1Br)OCCO 34a_100010234764_100000211926 [0,2,0,0,0,0|1,0,1]=4 6381 B13R1.577 COc1ccc(cc1Br)OCCO 7a_100010234764_100000211926 [0,2,0,0,0,0|1,0,1]=4 6382 B13R1.577 COc1ccc(cc1Br)OCSC 34a_100010234764_100011218213 [0,2,0,0,0,0|1,0,1]=4 6383 B13R1.577 COc1ccc(cc1Br)SCC#N 62a_100011215382_100011249507 [0,2,0,0,0,0|1,0,1]=4 6384 B13R1.577 COc1ccc(cc1Br)SCC#N 62a_100011249507_100011215382 [0,2,0,0,0,0|1,0,1]=4 6385 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [0,2,0,0,0,0|1,0,0]=3 6386 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [0,2,0,0,0,0|1,0,0]=3 6387 B13R1.577 COc1ccc(cc1Br)SCCF 62a_100011217306_100011249507 [0,2,0,0,0,0|1,0,1]=4 6388 B13R1.577 COc1ccc(cc1Br)SCCF 62a_100011249507_100011217306 [0,2,0,0,0,0|1,0,1]=4 6389 B13R1.577 COc1ccc(cc1Br)SCCO 62a_100000211926_100011249507 [0,2,0,0,0,0|1,0,1]=4 6390 B13R1.577 COc1ccc(cc1Br)SCCO 62a_100011249507_100000211926 [0,2,0,0,0,0|1,0,1]=4 6391 B13R1.577 COc1ccc(cc1Br)SCSC 62a_100011218213_100011249507 [0,2,0,0,0,0|1,0,1]=4 6392 B13R1.577 COc1ccc(cc1Br)SCSC 62a_100011249507_100011218213 [0,2,0,0,0,0|1,0,1]=4 6393 B13R1.577 COc1ccc(cc1C)CNCF 34a_100102679029_100015361967 [0,2,0,0,0,0|1,0,1]=4 6394 B13R1.577 COc1ccc(cc1C)COCF 34a_200011290855_100015361967 [0,2,0,0,0,0|1,0,1]=4 6395 B13R1.577 COc1ccc(cc1C)COCF 7a_200011290855_100015361967 [0,2,0,0,0,0|1,0,1]=4 6396 B13R1.577 COc1ccc(cc1C)CSCF 62a_100015361967_200011290836 [0,2,0,0,0,0|1,0,1]=4 6397 B13R1.577 COc1ccc(cc1C)CSCF 62a_200011290836_100015361967 [0,2,0,0,0,0|1,0,1]=4 6398 B13R1.577 COc1ccc(cc1C)NCC#N 2230a_100000743268_100011215382 [0,2,0,0,0,0|1,0,1]=4 6399 B13R1.577 COc1ccc(cc1C)NCC#N 7a_100000743268_100011215382 [0,2,0,0,0,0|1,0,1]=4 6400 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [0,2,0,0,0,0|1,0,0]=3 6401 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [0,2,0,0,0,0|1,0,0]=3 6402 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [0,2,0,0,0,0|1,0,0]=3 6403 B13R1.577 COc1ccc(cc1C)NCCF 2230a_100000743268_100011217306 [0,2,0,0,0,0|1,0,1]=4 6404 B13R1.577 COc1ccc(cc1C)NCCF 34a_100000743268_100011217306 [0,2,0,0,0,0|1,0,1]=4 6405 B13R1.577 COc1ccc(cc1C)NCCF 7a_100000743268_100011217306 [0,2,0,0,0,0|1,0,1]=4 6406 B13R1.577 COc1ccc(cc1C)NCCO 2230a_100000743268_100000211926 [0,2,0,0,0,0|1,0,1]=4 6407 B13R1.577 COc1ccc(cc1C)NCCO 34a_100000743268_100000211926 [0,2,0,0,0,0|1,0,1]=4 6408 B13R1.577 COc1ccc(cc1C)NCCO 7a_100000743268_100000211926 [0,2,0,0,0,0|1,0,1]=4 6409 B13R1.577 COc1ccc(cc1C)NCSC 2230a_100000743268_100011218213 [0,2,0,0,0,0|1,0,1]=4 6410 B13R1.577 COc1ccc(cc1C)NCSC 34a_100000743268_100011218213 [0,2,0,0,0,0|1,0,1]=4 6411 B13R1.577 COc1ccc(cc1C)OCC#N 7a_100000759738_100011215382 [0,2,0,0,0,0|1,0,1]=4 6412 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [0,2,0,0,0,0|1,0,0]=3 6413 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [0,2,0,0,0,0|1,0,0]=3 6414 B13R1.577 COc1ccc(cc1C)OCCF 34a_100000759738_100011217306 [0,2,0,0,0,0|1,0,1]=4 6415 B13R1.577 COc1ccc(cc1C)OCCF 7a_100000759738_100011217306 [0,2,0,0,0,0|1,0,1]=4 6416 B13R1.577 COc1ccc(cc1C)OCCO 34a_100000759738_100000211926 [0,2,0,0,0,0|1,0,1]=4 6417 B13R1.577 COc1ccc(cc1C)OCCO 7a_100000759738_100000211926 [0,2,0,0,0,0|1,0,1]=4 6418 B13R1.577 COc1ccc(cc1C)OCSC 34a_100000759738_100011218213 [0,2,0,0,0,0|1,0,1]=4 6419 B13R1.577 COc1ccc(cc1C)SCC#N 62a_100011215382_100011219705 [0,2,0,0,0,0|1,0,1]=4 6420 B13R1.577 COc1ccc(cc1C)SCC#N 62a_100011219705_100011215382 [0,2,0,0,0,0|1,0,1]=4 6421 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [0,2,0,0,0,0|1,0,0]=3 6422 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [0,2,0,0,0,0|1,0,0]=3 6423 B13R1.577 COc1ccc(cc1C)SCCF 62a_100011217306_100011219705 [0,2,0,0,0,0|1,0,1]=4 6424 B13R1.577 COc1ccc(cc1C)SCCF 62a_100011219705_100011217306 [0,2,0,0,0,0|1,0,1]=4 6425 B13R1.577 COc1ccc(cc1C)SCCO 62a_100000211926_100011219705 [0,2,0,0,0,0|1,0,1]=4 6426 B13R1.577 COc1ccc(cc1C)SCCO 62a_100011219705_100000211926 [0,2,0,0,0,0|1,0,1]=4 6427 B13R1.577 COc1ccc(cc1C)SCSC 62a_100011218213_100011219705 [0,2,0,0,0,0|1,0,1]=4 6428 B13R1.577 COc1ccc(cc1C)SCSC 62a_100011219705_100011218213 [0,2,0,0,0,0|1,0,1]=4 6429 B13R1.577 COc1ccc(cc1Cl)CCN[13CH3] 2230a_100025770840_200025704644 [0,2,0,0,0,0|0,0,2]=4 6430 B13R1.577 COc1ccc(cc1Cl)CCN[13CH3] 34a_100025770840_200025704644 [0,2,0,0,0,0|0,0,2]=4 6431 B13R1.577 COc1ccc(cc1Cl)CNCF 34a_100000008799_100015361967 [0,2,0,0,0,0|1,0,1]=4 6432 B13R1.577 COc1ccc(cc1Cl)COCF 34a_100000694469_100015361967 [0,2,0,0,0,0|1,0,1]=4 6433 B13R1.577 COc1ccc(cc1Cl)COCF 7a_100000694469_100015361967 [0,2,0,0,0,0|1,0,1]=4 6434 B13R1.577 COc1ccc(cc1Cl)CSCF 62a_100000693707_100015361967 [0,2,0,0,0,0|1,0,1]=4 6435 B13R1.577 COc1ccc(cc1Cl)CSCF 62a_100015361967_100000693707 [0,2,0,0,0,0|1,0,1]=4 6436 B13R1.577 COc1ccc(cc1Cl)NCC#N 2230a_100000211044_100011215382 [0,2,0,0,0,0|1,0,1]=4 6437 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [0,2,0,0,0,0|1,0,0]=3 6438 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [0,2,0,0,0,0|1,0,0]=3 6439 B13R1.577 COc1ccc(cc1Cl)NCCF 2230a_100000211044_100011217306 [0,2,0,0,0,0|1,0,1]=4 6440 B13R1.577 COc1ccc(cc1Cl)NCCF 34a_100000211044_100011217306 [0,2,0,0,0,0|1,0,1]=4 6441 B13R1.577 COc1ccc(cc1Cl)NCCO 2230a_100000211044_100000211926 [0,2,0,0,0,0|1,0,1]=4 6442 B13R1.577 COc1ccc(cc1Cl)NCCO 34a_100000211044_100000211926 [0,2,0,0,0,0|1,0,1]=4 6443 B13R1.577 COc1ccc(cc1Cl)NCSC 2230a_100000211044_100011218213 [0,2,0,0,0,0|1,0,1]=4 6444 B13R1.577 COc1ccc(cc1Cl)NCSC 34a_100000211044_100011218213 [0,2,0,0,0,0|1,0,1]=4 6445 B13R1.577 COc1ccc(cc1Cl)OCC#N 7a_200009861682_100011215382 [0,2,0,0,0,0|1,0,1]=4 6446 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [0,2,0,0,0,0|1,0,0]=3 6447 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [0,2,0,0,0,0|1,0,0]=3 6448 B13R1.577 COc1ccc(cc1Cl)OCCF 34a_200009861682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6449 B13R1.577 COc1ccc(cc1Cl)OCCF 7a_200009861682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6450 B13R1.577 COc1ccc(cc1Cl)OCCO 34a_200009861682_100000211926 [0,2,0,0,0,0|1,0,1]=4 6451 B13R1.577 COc1ccc(cc1Cl)OCCO 7a_200009861682_100000211926 [0,2,0,0,0,0|1,0,1]=4 6452 B13R1.577 COc1ccc(cc1Cl)OCSC 34a_200009861682_100011218213 [0,2,0,0,0,0|1,0,1]=4 6453 B13R1.577 COc1ccc(cc1Cl)SCC#N 62a_100011215382_100012355395 [0,2,0,0,0,0|1,0,1]=4 6454 B13R1.577 COc1ccc(cc1Cl)SCC#N 62a_100012355395_100011215382 [0,2,0,0,0,0|1,0,1]=4 6455 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [0,2,0,0,0,0|1,0,0]=3 6456 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [0,2,0,0,0,0|1,0,0]=3 6457 B13R1.577 COc1ccc(cc1Cl)SCCF 62a_100011217306_100012355395 [0,2,0,0,0,0|1,0,1]=4 6458 B13R1.577 COc1ccc(cc1Cl)SCCF 62a_100012355395_100011217306 [0,2,0,0,0,0|1,0,1]=4 6459 B13R1.577 COc1ccc(cc1Cl)SCCO 62a_100000211926_100012355395 [0,2,0,0,0,0|1,0,1]=4 6460 B13R1.577 COc1ccc(cc1Cl)SCCO 62a_100012355395_100000211926 [0,2,0,0,0,0|1,0,1]=4 6461 B13R1.577 COc1ccc(cc1Cl)SCSC 62a_100011218213_100012355395 [0,2,0,0,0,0|1,0,1]=4 6462 B13R1.577 COc1ccc(cc1Cl)SCSC 62a_100012355395_100011218213 [0,2,0,0,0,0|1,0,1]=4 6463 B13R1.577 COc1ccc(cc1F)CCO[13CH3] 34a_100011755164_200025704644 [0,2,0,0,0,0|0,0,2]=4 6464 B13R1.577 COc1ccc(cc1F)CCO[13CH3] 7a_100011755164_200025704644 [0,2,0,0,0,0|0,0,2]=4 6465 B13R1.577 COc1ccc(cc1F)CNCF 34a_100000737316_100015361967 [0,2,0,0,0,0|1,0,1]=4 6466 B13R1.577 COc1ccc(cc1F)COCF 34a_100000246395_100015361967 [0,2,0,0,0,0|1,0,1]=4 6467 B13R1.577 COc1ccc(cc1F)COCF 7a_100000246395_100015361967 [0,2,0,0,0,0|1,0,1]=4 6468 B13R1.577 COc1ccc(cc1F)CSCF 62a_100000189595_100015361967 [0,2,0,0,0,0|1,0,1]=4 6469 B13R1.577 COc1ccc(cc1F)CSCF 62a_100015361967_100000189595 [0,2,0,0,0,0|1,0,1]=4 6470 B13R1.577 COc1ccc(cc1F)NCC#N 2230a_100000740183_100011215382 [0,2,0,0,0,0|1,0,1]=4 6471 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [0,2,0,0,0,0|1,0,0]=3 6472 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [0,2,0,0,0,0|1,0,0]=3 6473 B13R1.577 COc1ccc(cc1F)NCCF 2230a_100000740183_100011217306 [0,2,0,0,0,0|1,0,1]=4 6474 B13R1.577 COc1ccc(cc1F)NCCF 34a_100000740183_100011217306 [0,2,0,0,0,0|1,0,1]=4 6475 B13R1.577 COc1ccc(cc1F)NCCO 2230a_100000740183_100000211926 [0,2,0,0,0,0|1,0,1]=4 6476 B13R1.577 COc1ccc(cc1F)NCCO 34a_100000740183_100000211926 [0,2,0,0,0,0|1,0,1]=4 6477 B13R1.577 COc1ccc(cc1F)NCSC 2230a_100000740183_100011218213 [0,2,0,0,0,0|1,0,1]=4 6478 B13R1.577 COc1ccc(cc1F)NCSC 34a_100000740183_100011218213 [0,2,0,0,0,0|1,0,1]=4 6479 B13R1.577 COc1ccc(cc1F)OCC#N 7a_100000746305_100011215382 [0,2,0,0,0,0|1,0,1]=4 6480 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [0,2,0,0,0,0|1,0,0]=3 6481 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [0,2,0,0,0,0|1,0,0]=3 6482 B13R1.577 COc1ccc(cc1F)OCCF 34a_100000746305_100011217306 [0,2,0,0,0,0|1,0,1]=4 6483 B13R1.577 COc1ccc(cc1F)OCCF 7a_100000746305_100011217306 [0,2,0,0,0,0|1,0,1]=4 6484 B13R1.577 COc1ccc(cc1F)OCCO 34a_100000746305_100000211926 [0,2,0,0,0,0|1,0,1]=4 6485 B13R1.577 COc1ccc(cc1F)OCCO 7a_100000746305_100000211926 [0,2,0,0,0,0|1,0,1]=4 6486 B13R1.577 COc1ccc(cc1F)OCSC 34a_100000746305_100011218213 [0,2,0,0,0,0|1,0,1]=4 6487 B13R1.577 COc1ccc(cc1F)SCC#N 62a_100000171752_100011215382 [0,2,0,0,0,0|1,0,1]=4 6488 B13R1.577 COc1ccc(cc1F)SCC#N 62a_100011215382_100000171752 [0,2,0,0,0,0|1,0,1]=4 6489 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [0,2,0,0,0,0|1,0,0]=3 6490 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [0,2,0,0,0,0|1,0,0]=3 6491 B13R1.577 COc1ccc(cc1F)SCCF 62a_100000171752_100011217306 [0,2,0,0,0,0|1,0,1]=4 6492 B13R1.577 COc1ccc(cc1F)SCCF 62a_100011217306_100000171752 [0,2,0,0,0,0|1,0,1]=4 6493 B13R1.577 COc1ccc(cc1F)SCCO 62a_100000171752_100000211926 [0,2,0,0,0,0|1,0,1]=4 6494 B13R1.577 COc1ccc(cc1F)SCCO 62a_100000211926_100000171752 [0,2,0,0,0,0|1,0,1]=4 6495 B13R1.577 COc1ccc(cc1F)SCSC 62a_100000171752_100011218213 [0,2,0,0,0,0|1,0,1]=4 6496 B13R1.577 COc1ccc(cc1F)SCSC 62a_100011218213_100000171752 [0,2,0,0,0,0|1,0,1]=4 6497 B13R1.577 COc1ccc(cc1I)COCF 34a_200000013966_100015361967 [0,2,0,0,0,0|1,0,1]=4 6498 B13R1.577 COc1ccc(cc1I)COCF 7a_200000013966_100015361967 [0,2,0,0,0,0|1,0,1]=4 6499 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [0,2,0,0,0,0|1,0,0]=3 6500 B13R1.577 COc1ccc(cc1I)NCCF 34a_100011356947_100011217306 [0,2,0,0,0,0|1,0,1]=4 6501 B13R1.577 COc1ccc(cc1I)NCCO 34a_100011356947_100000211926 [0,2,0,0,0,0|1,0,1]=4 6502 B13R1.577 COc1ccc(cc1I)NCSC 34a_100011356947_100011218213 [0,2,0,0,0,0|1,0,1]=4 6503 B13R1.577 COc1ccc(cc1I)OCC#N 7a_100010084122_100011215382 [0,2,0,0,0,0|1,0,1]=4 6504 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [0,2,0,0,0,0|1,0,0]=3 6505 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [0,2,0,0,0,0|1,0,0]=3 6506 B13R1.577 COc1ccc(cc1I)OCCF 34a_100010084122_100011217306 [0,2,0,0,0,0|1,0,1]=4 6507 B13R1.577 COc1ccc(cc1I)OCCF 7a_100010084122_100011217306 [0,2,0,0,0,0|1,0,1]=4 6508 B13R1.577 COc1ccc(cc1I)OCCO 34a_100010084122_100000211926 [0,2,0,0,0,0|1,0,1]=4 6509 B13R1.577 COc1ccc(cc1I)OCCO 7a_100010084122_100000211926 [0,2,0,0,0,0|1,0,1]=4 6510 B13R1.577 COc1ccc(cc1I)OCSC 34a_100010084122_100011218213 [0,2,0,0,0,0|1,0,1]=4 6511 B13R1.577 COc1ccc(cc1N)COCF 34a_100011269841_100015361967 [0,2,0,0,0,0|1,0,1]=4 6512 B13R1.577 COc1ccc(cc1N)SCC#N 62a_100011215382_100011249504 [0,2,0,0,0,0|1,0,1]=4 6513 B13R1.577 COc1ccc(cc1N)SCC#N 62a_100011249504_100011215382 [0,2,0,0,0,0|1,0,1]=4 6514 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [0,2,0,0,0,0|1,0,0]=3 6515 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [0,2,0,0,0,0|1,0,0]=3 6516 B13R1.577 COc1ccc(cc1N)SCCF 62a_100011217306_100011249504 [0,2,0,0,0,0|1,0,1]=4 6517 B13R1.577 COc1ccc(cc1N)SCCF 62a_100011249504_100011217306 [0,2,0,0,0,0|1,0,1]=4 6518 B13R1.577 COc1ccc(cc1N)SCCO 62a_100000211926_100011249504 [0,2,0,0,0,0|1,0,1]=4 6519 B13R1.577 COc1ccc(cc1N)SCCO 62a_100011249504_100000211926 [0,2,0,0,0,0|1,0,1]=4 6520 B13R1.577 COc1ccc(cc1N)SCSC 62a_100011218213_100011249504 [0,2,0,0,0,0|1,0,1]=4 6521 B13R1.577 COc1ccc(cc1N)SCSC 62a_100011249504_100011218213 [0,2,0,0,0,0|1,0,1]=4 6522 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [0,2,0,0,0,0|0,0,2]=4 6523 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [0,2,0,0,0,0|0,0,2]=4 6524 B13R1.577 COc1ccc(cc1O)CNCF 34a_100000740000_100015361967 [0,2,0,0,0,0|1,0,1]=4 6525 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [0,2,0,0,0,0|1,0,0]=3 6526 B13R1.577 COc1ccc(cc1O)NCCF 34a_100000211920_100011217306 [0,2,0,0,0,0|1,0,1]=4 6527 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [0,2,0,0,0,0|1,0,1]=4 6528 B13R1.577 COc1ccc(cc1O)NCSC 34a_100000211920_100011218213 [0,2,0,0,0,0|1,0,1]=4 6529 B13R1.577 COc1ccc(cc1O)SCC#N 62a_100011215382_100009816560 [0,2,0,0,0,0|1,0,1]=4 6530 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [0,2,0,0,0,0|1,0,0]=3 6531 B13R1.577 COc1ccc(cc1O)SCCF 62a_100011217306_100009816560 [0,2,0,0,0,0|1,0,1]=4 6532 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [0,2,0,0,0,0|1,0,1]=4 6533 B13R1.577 COc1ccc(cc1O)SCSC 62a_100011218213_100009816560 [0,2,0,0,0,0|1,0,1]=4 6534 B13R1.577 COc1ccc(nc1Br)SCC=O 62a_100010214827_200015260668 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.577 COc1ccc(nc1Br)SCC=O 62a_200015260668_100010214827 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.577 COc1ccc(nc1C)SCC=O 62a_100010244750_200015260668 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.577 COc1ccc(nc1C)SCC=O 62a_200015260668_100010244750 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.577 COc1ccc(nc1Cl)SCC=O 62a_200015260668_100010233546 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.577 COc1ccc(nc1F)SCC=O 62a_100010138636_200015260668 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.577 COc1ccc(nc1F)SCC=O 62a_200015260668_100010138636 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.577 COc1ccc(nc1N)SCC=O 62a_100010192976_200015260668 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.577 COc1cnc(cc1N)SCC=O 62a_100010896307_200015260668 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.577 COc1cnc(cc1N)SCC=O 62a_200015260668_100010896307 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.577 COc1cnc(cc1O)SCC=O 62a_200015260668_100010264082 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.577 COc1ncc(cc1Br)SCC=O 62a_200010988584_200015260668 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.577 COc1ncc(cc1Br)SCC=O 62a_200015260668_200010988584 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.577 COc1ncc(cc1C)SCC=O 62a_100011290809_200015260668 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.577 COc1ncc(cc1C)SCC=O 62a_200015260668_100011290809 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.577 COc1ncc(cc1F)SCC=O 62a_100011880707_200015260668 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.577 COc1ncc(cc1F)SCC=O 62a_200015260668_100011880707 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.577 COc1ncc(cc1N)SCC=O 62a_100000748608_200015260668 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.577 COc1ncc(cc1N)SCC=O 62a_200015260668_100000748608 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.577 COc1ncc(cc1O)SCC=O 62a_200015260668_100010135713 [0,2,0,0,0,0|2,0,0]=4 6554 B13R1.577 CSc1ccc(cc1C)OCC=O 34a_100000030144_200009817547 [0,2,0,0,0,0|1,1,0]=4 6555 B13R1.577 CSc1ccc(cc1Cl)SCC=O 62a_200015260668_206447510565 [0,2,0,0,0,0|1,1,0]=4 6556 B13R1.577 CSc1ccc(cc1Cl)SCC=O 62a_206447510565_200015260668 [0,2,0,0,0,0|1,1,0]=4 6557 B13R1.577 CSc1ccc(cc1F)NCC=O 2230a_100000762756_200015260668 [0,2,0,0,0,0|1,1,0]=4 6558 B13R1.577 CSc1ccc(cc1F)NCC=O 34a_100000762756_200009817547 [0,2,0,0,0,0|1,1,0]=4 6559 B13R1.577 CSc1ccc(cc1F)SCC=O 62a_100010161220_200015260668 [0,2,0,0,0,0|1,1,0]=4 6560 B13R1.577 CSc1ccc(cc1F)SCC=O 62a_200015260668_100010161220 [0,2,0,0,0,0|1,1,0]=4 6561 B13R1.388 C=C=Cc1ccc(c(c1)C)OCC 271570a_100015277604_100011308936 [0,2,0,0,0,0|0,0,2]=4 6562 B13R1.388 C=C=Cc1ccc(c(c1)F)OCC 271570a_100015277604_200000171753 [0,2,0,0,0,0|0,0,2]=4 6563 B13R1.388 C=C=Cc1ccc(c(c1)N)COC 271570a_100015277604_100013084866 [0,2,0,0,0,0|0,0,2]=4 6564 B13R1.388 C=C=Cc1ccc(c(c1)N)OCC 271570a_100015277604_100000751366 [0,2,0,0,0,0|0,0,2]=4 6565 B13R1.388 C=C=Cc1ccc(cc1C)OCC 271570a_100015277604_100012344538 [0,2,0,0,0,0|0,0,2]=4 6566 B13R1.388 C=C=Cc1ccc(cc1F)COC 271570a_100015277604_100010177442 [0,2,0,0,0,0|0,0,2]=4 6567 B13R1.388 C=C=Cc1ccc(cc1F)OCC 271570a_100015277604_100000692347 [0,2,0,0,0,0|0,0,2]=4 6568 B13R1.388 C=C=Cc1ccc(cc1N)COC 271570a_100015277604_200013033220 [0,2,0,0,0,0|0,0,2]=4 6569 B13R1.388 CC=Cc1ccc(c(c1)C)OCC 271570a_100016259895_100011308936 [0,2,0,0,0,0|0,0,2]=4 6570 B13R1.388 CC=Cc1ccc(c(c1)F)OCC 271570a_100016259895_200000171753 [0,2,0,0,0,0|0,0,2]=4 6571 B13R1.388 CC=Cc1ccc(c(c1)N)COC 271570a_100016259895_100013084866 [0,2,0,0,0,0|0,0,2]=4 6572 B13R1.388 CC=Cc1ccc(c(c1)N)OCC 271570a_100016259895_100000751366 [0,2,0,0,0,0|0,0,2]=4 6573 B13R1.388 CC=Cc1ccc(cc1C)OCC 271570a_100016259895_100012344538 [0,2,0,0,0,0|0,0,2]=4 6574 B13R1.388 CC=Cc1ccc(cc1F)COC 271570a_100016259895_100010177442 [0,2,0,0,0,0|0,0,2]=4 6575 B13R1.388 CC=Cc1ccc(cc1F)OCC 271570a_100016259895_100000692347 [0,2,0,0,0,0|0,0,2]=4 6576 B13R1.388 CC=Cc1ccc(cc1N)COC 271570a_100016259895_200013033220 [0,2,0,0,0,0|0,0,2]=4 6577 B13R1.388 CCOc1ccc(c(c1)Br)CNC 207a_100102657272_200012721597 [0,2,0,0,0,0|1,0,1]=4 6578 B13R1.388 CCOc1ccc(c(c1)Br)CNC 270004a_106832991635_200012721597 [0,2,0,0,0,0|1,0,1]=4 6579 B13R1.388 CCOc1ccc(c(c1)C)CNC 207a_100102657272_100011361535 [0,2,0,0,0,0|1,0,1]=4 6580 B13R1.388 CCOc1ccc(c(c1)C)CNC 270004a_106832991635_100011361535 [0,2,0,0,0,0|1,0,1]=4 6581 B13R1.388 CCOc1ccc(c(c1)F)CNC 2230a_106832991635_200016184943 [0,2,0,0,0,0|1,0,1]=4 6582 B13R1.388 CCOc1ccc(c(c1)F)CNC 34a_100102657272_200016184943 [0,2,0,0,0,0|1,0,1]=4 6583 B13R1.388 CCOc1ccc(c(c1)F)CNC 7a_106832991635_200016184943 [0,2,0,0,0,0|1,0,1]=4 6584 B13R1.388 CCOc1ccc(c(c1)F)COC 34a_100138415774_200016184943 [0,2,0,0,0,0|1,0,1]=4 6585 B13R1.388 CCOc1ccc(c(c1)F)COC 34a_200015831911_200000210301 [0,2,0,0,0,0|1,0,1]=4 6586 B13R1.388 CCOc1ccc(c(c1)F)COC 7a_200015831911_200000210301 [0,2,0,0,0,0|1,0,1]=4 6587 B13R1.388 CCOc1ccc(c(c1)F)CO[13CH3] 34a_200015831911_200025704644 [0,2,0,0,0,0|1,0,1]=4 6588 B13R1.388 CCOc1ccc(c(c1)F)CO[13CH3] 7a_200015831911_200025704644 [0,2,0,0,0,0|1,0,1]=4 6589 B13R1.388 CCOc1ccc(c(c1)F)CSC 62a_200000210301_200016184943 [0,2,0,0,0,0|1,0,1]=4 6590 B13R1.388 CCOc1ccc(c(c1)F)CSC 62a_200016184943_200000210301 [0,2,0,0,0,0|1,0,1]=4 6591 B13R1.388 CCOc1ccc(c(c1)F)CS[13CH3] 62a_200016184943_200025704644 [0,2,0,0,0,0|1,0,1]=4 6592 B13R1.388 CCOc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_200016184943 [0,2,0,0,0,0|1,0,1]=4 6593 B13R1.388 CCOc1ccc(cc1Br)CNC 207a_100102657272_100000173028 [0,2,0,0,0,0|1,0,1]=4 6594 B13R1.388 CCOc1ccc(cc1Br)CNC 270004a_106832991635_100000173028 [0,2,0,0,0,0|1,0,1]=4 6595 B13R1.388 CCOc1ccc(cc1Br)COC 34a_200011800839_200000210301 [0,2,0,0,0,0|1,0,1]=4 6596 B13R1.388 CCOc1ccc(cc1Br)COC 7a_200011800839_200000210301 [0,2,0,0,0,0|1,0,1]=4 6597 B13R1.388 CCOc1ccc(cc1Br)CO[13CH3] 34a_200011800839_200025704644 [0,2,0,0,0,0|1,0,1]=4 6598 B13R1.388 CCOc1ccc(cc1Br)CO[13CH3] 7a_200011800839_200025704644 [0,2,0,0,0,0|1,0,1]=4 6599 B13R1.388 CCOc1ccc(cc1C)CNC 207a_100102657272_100012017204 [0,2,0,0,0,0|1,0,1]=4 6600 B13R1.388 CCOc1ccc(cc1C)CNC 270004a_106832991635_100012017204 [0,2,0,0,0,0|1,0,1]=4 6601 B13R1.388 CCOc1ccc(cc1Cl)CNC 207a_100102657272_200000188301 [0,2,0,0,0,0|1,0,1]=4 6602 B13R1.388 CCOc1ccc(cc1Cl)CNC 270004a_106832991635_200000188301 [0,2,0,0,0,0|1,0,1]=4 6603 B13R1.388 CCOc1ccc(cc1Cl)COC 34a_200011523292_200000210301 [0,2,0,0,0,0|1,0,1]=4 6604 B13R1.388 CCOc1ccc(cc1Cl)COC 7a_200011523292_200000210301 [0,2,0,0,0,0|1,0,1]=4 6605 B13R1.388 CCOc1ccc(cc1Cl)CO[13CH3] 34a_200011523292_200025704644 [0,2,0,0,0,0|1,0,1]=4 6606 B13R1.388 CCOc1ccc(cc1Cl)CO[13CH3] 7a_200011523292_200025704644 [0,2,0,0,0,0|1,0,1]=4 6607 B13R1.388 CCOc1ccc(cc1I)CNC 207a_100102657272_200000123116 [0,2,0,0,0,0|1,0,1]=4 6608 B13R1.388 CCOc1ccc(cc1I)CNC 269862a_106832991636_200000123116 [0,2,0,0,0,0|1,0,1]=4 6609 B13R1.388 CCOc1ccc(cc1I)CNC 270004a_106832991635_200000123116 [0,2,0,0,0,0|1,0,1]=4 6610 B13R1.1249 C=C=Cc1ccc(cc1C#N)OC 271570a_100015277604_100000748272 [0,2,0,0,0,0|0,0,2]=4 6611 B13R1.1249 C=C=Cc1ccc(cc1C=O)OC 271570a_100015277604_100000691568 [0,2,0,0,0,0|0,0,2]=4 6612 B13R1.1249 C=C=Cc1ccc(cc1CC)OC 271570a_100015277604_100000720562 [0,2,0,0,0,0|0,0,2]=4 6613 B13R1.1249 C=C=Cc1ccc(cc1CN)OC 271570a_100015277604_100000741592 [0,2,0,0,0,0|0,0,2]=4 6614 B13R1.1249 C=C=Cc1ccc(cc1CO)OC 271570a_100015277604_200011273942 [0,2,0,0,0,0|0,0,2]=4 6615 B13R1.1249 C=C=Cc1ccc(cc1OC)OC 271570a_100015277604_100000750026 [0,2,0,0,0,0|0,0,2]=4 6616 B13R1.1249 C=Cc1cc(ccc1CC#N)OC 271570a_100011290941_100010146818 [0,2,0,0,0,0|1,0,1]=4 6617 B13R1.1249 CC=Cc1ccc(cc1C#N)OC 271570a_100016259895_100000748272 [0,2,0,0,0,0|0,0,2]=4 6618 B13R1.1249 CC=Cc1ccc(cc1C=O)OC 271570a_100016259895_100000691568 [0,2,0,0,0,0|0,0,2]=4 6619 B13R1.1249 CC=Cc1ccc(cc1CC)OC 271570a_100016259895_100000720562 [0,2,0,0,0,0|0,0,2]=4 6620 B13R1.1249 CC=Cc1ccc(cc1CN)OC 271570a_100016259895_100000741592 [0,2,0,0,0,0|0,0,2]=4 6621 B13R1.1249 CC=Cc1ccc(cc1CO)OC 271570a_100016259895_200011273942 [0,2,0,0,0,0|0,0,2]=4 6622 B13R1.1249 CC=Cc1ccc(cc1OC)OC 271570a_100016259895_100000750026 [0,2,0,0,0,0|0,0,2]=4 6623 B13R1.1249 CNCc1ccc(cc1C#N)OC 207a_100102657272_200011361550 [0,2,0,0,0,0|1,0,1]=4 6624 B13R1.1249 CNCc1ccc(cc1OC)OC 207a_100102657272_100000188320 [0,2,0,0,0,0|1,0,1]=4 6625 B13R1.1249 CNCc1ccc(cc1OC)OC 26a_100102657272_100009840267 [0,2,0,0,0,0|1,0,1]=4 6626 B13R1.1249 CNCc1ccc(cc1OC)OC 270004a_106832991635_100000188320 [0,2,0,0,0,0|1,0,1]=4 6627 B13R1.1249 CNCc1ccc(cc1OC)OC 34a_100000737765_200000210301 [0,2,0,0,0,0|1,0,1]=4 6628 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|1,0,1]=4 6629 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|1,0,1]=4 6630 B13R1.1249 COc1ccc(c(c1)OC)CN[13CH3] 34a_100000737765_200025704644 [0,2,0,0,0,0|1,0,1]=4 6631 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|1,0,1]=4 6632 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|1,0,1]=4 6633 B13R1.1249 COc1ccc(c(c1)SC)CC#N 62a_100010146818_200000210301 [0,2,0,0,0,0|1,0,1]=4 6634 B13R1.1249 COc1ccc(c(c1)SC)CC#N 62a_200000210301_100010146818 [0,2,0,0,0,0|1,0,1]=4 6635 B13R1.1249 COc1ccc(c(c1)S[13CH3])CC#N 62a_100010146818_200025704644 [0,2,0,0,0,0|1,0,1]=4 6636 B13R1.1249 COc1ccc(c(c1)S[13CH3])CC#N 62a_200025704644_100010146818 [0,2,0,0,0,0|1,0,1]=4 6637 B13R1.1254 C=C=Cc1ccc(c(c1C)C)OC 271570a_100015277604_100000049725 [0,2,0,0,0,0|0,0,2]=4 6638 B13R1.1254 C=C=Cc1ccc(c(c1F)F)OC 271570a_100015277604_100009816879 [0,2,0,0,0,0|0,0,2]=4 6639 B13R1.1254 CC=Cc1ccc(c(c1C)C)OC 271570a_100016259895_100000049725 [0,2,0,0,0,0|0,0,2]=4 6640 B13R1.1254 CC=Cc1ccc(c(c1F)F)OC 271570a_100016259895_100009816879 [0,2,0,0,0,0|0,0,2]=4 6641 B13R1.1254 CNCc1ccc(c(c1C)C)OC 207a_100102657272_100000032066 [0,2,0,0,0,0|1,0,1]=4 6642 B13R1.1254 CNCc1ccc(c(c1C)C)OC 270004a_106832991635_100000032066 [0,2,0,0,0,0|1,0,1]=4 6643 B13R1.1254 CNCc1ccc(c(c1Cl)Cl)OC 207a_100102657272_100010688703 [0,2,0,0,0,0|1,0,1]=4 6644 B13R1.1254 CNCc1ccc(c(c1Cl)Cl)OC 270004a_106832991635_100010688703 [0,2,0,0,0,0|1,0,1]=4 6645 B13R1.1254 CNCc1ccc(c(c1F)F)OC 207a_100102657272_100000062113 [0,2,0,0,0,0|1,0,1]=4 6646 B13R1.1254 CNCc1ccc(c(c1F)F)OC 2230a_106832991635_100009814551 [0,2,0,0,0,0|1,0,1]=4 6647 B13R1.1254 CNCc1ccc(c(c1F)F)OC 2230a_114873766943_200000210301 [0,2,0,0,0,0|1,0,1]=4 6648 B13R1.1254 CNCc1ccc(c(c1F)F)OC 26a_100102657272_100000034963 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.1254 CNCc1ccc(c(c1F)F)OC 34a_100102657272_100009814551 [0,2,0,0,0,0|1,0,1]=4 6650 B13R1.1254 CNCc1ccc(c(c1F)F)OC 34a_114873766943_200000210301 [0,2,0,0,0,0|1,0,1]=4 6651 B13R1.1254 CNCc1ccc(c(c1F)F)OC 7a_106832991635_100009814551 [0,2,0,0,0,0|1,0,1]=4 6652 B13R1.1254 COCc1ccc(c(c1F)F)OC 34a_100000081359_200000210301 [0,2,0,0,0,0|1,0,1]=4 6653 B13R1.1254 COCc1ccc(c(c1F)F)OC 34a_100138415774_100009814551 [0,2,0,0,0,0|1,0,1]=4 6654 B13R1.1254 COCc1ccc(c(c1F)F)OC 7a_100000081359_200000210301 [0,2,0,0,0,0|1,0,1]=4 6655 B13R1.1254 COc1ccc(c(c1F)F)CN[13CH3] 2230a_114873766943_200025704644 [0,2,0,0,0,0|1,0,1]=4 6656 B13R1.1254 COc1ccc(c(c1F)F)CN[13CH3] 34a_114873766943_200025704644 [0,2,0,0,0,0|1,0,1]=4 6657 B13R1.1254 COc1ccc(c(c1F)F)CO[13CH3] 34a_100000081359_200025704644 [0,2,0,0,0,0|1,0,1]=4 6658 B13R1.1254 COc1ccc(c(c1F)F)CO[13CH3] 7a_100000081359_200025704644 [0,2,0,0,0,0|1,0,1]=4 6659 B13R1.1254 COc1ccc(c(c1F)F)CSC 62a_100009814551_200000210301 [0,2,0,0,0,0|1,0,1]=4 6660 B13R1.1254 COc1ccc(c(c1F)F)CSC 62a_200000210301_100009814551 [0,2,0,0,0,0|1,0,1]=4 6661 B13R1.1254 COc1ccc(c(c1F)F)CS[13CH3] 62a_100009814551_200025704644 [0,2,0,0,0,0|1,0,1]=4 6662 B13R1.1254 COc1ccc(c(c1F)F)CS[13CH3] 62a_200025704644_100009814551 [0,2,0,0,0,0|1,0,1]=4 6663 B13R1.2901 C=C=Cc1cc(c(cc1C)OC)C 271570a_100015277604_100000698960 [0,2,0,0,0,0|0,0,2]=4 6664 B13R1.2901 C=C=Cc1cc(c(cc1C)OC)F 271570a_100015277604_100010074640 [0,2,0,0,0,0|0,0,2]=4 6665 B13R1.2901 C=C=Cc1cc(c(cc1Cl)OC)N 271570a_100015277604_100011011177 [0,2,0,0,0,0|0,0,2]=4 6666 B13R1.2901 C=C=Cc1cc(c(cc1F)OC)F 271570a_100015277604_100009813720 [0,2,0,0,0,0|0,0,2]=4 6667 B13R1.2901 C=C=Cc1cc(c(cc1F)OC)N 271570a_100015277604_100012361397 [0,2,0,0,0,0|0,0,2]=4 6668 B13R1.2901 C=C=Cc1cc(c(cc1N)OC)C 271570a_100015277604_100010244135 [0,2,0,0,0,0|0,0,2]=4 6669 B13R1.2901 C=C=Cc1cc(c(cc1N)OC)F 271570a_100015277604_100010208193 [0,2,0,0,0,0|0,0,2]=4 6670 B13R1.2901 CC=Cc1cc(c(cc1C)OC)C 271570a_100016259895_100000698960 [0,2,0,0,0,0|0,0,2]=4 6671 B13R1.2901 CC=Cc1cc(c(cc1C)OC)F 271570a_100016259895_100010074640 [0,2,0,0,0,0|0,0,2]=4 6672 B13R1.2901 CC=Cc1cc(c(cc1Cl)OC)N 271570a_100016259895_100011011177 [0,2,0,0,0,0|0,0,2]=4 6673 B13R1.2901 CC=Cc1cc(c(cc1F)OC)F 271570a_100016259895_100009813720 [0,2,0,0,0,0|0,0,2]=4 6674 B13R1.2901 CC=Cc1cc(c(cc1F)OC)N 271570a_100016259895_100012361397 [0,2,0,0,0,0|0,0,2]=4 6675 B13R1.2901 CC=Cc1cc(c(cc1N)OC)C 271570a_100016259895_100010244135 [0,2,0,0,0,0|0,0,2]=4 6676 B13R1.2901 CC=Cc1cc(c(cc1N)OC)F 271570a_100016259895_100010208193 [0,2,0,0,0,0|0,0,2]=4 6677 B13R1.2901 CNCc1cc(c(cc1C)OC)C 207a_100102657272_100000186736 [0,2,0,0,0,0|1,0,1]=4 6678 B13R1.2901 CNCc1cc(c(cc1C)OC)C 270004a_106832991635_100000186736 [0,2,0,0,0,0|1,0,1]=4 6679 B13R1.2901 CNCc1cc(c(cc1F)OC)Br 207a_100102657272_100010244998 [0,2,0,0,0,0|1,0,1]=4 6680 B13R1.2901 CNCc1cc(c(cc1F)OC)Br 270004a_106832991635_100010244998 [0,2,0,0,0,0|1,0,1]=4 6681 B13R1.2901 CNCc1cc(c(cc1F)OC)F 207a_100102657272_100000061656 [0,2,0,0,0,0|1,0,1]=4 6682 B13R1.2901 CNCc1cc(c(cc1F)OC)F 270004a_106832991635_100000061656 [0,2,0,0,0,0|1,0,1]=4 6683 B13R1.2901 COCc1cc(c(cc1F)OC)F 34a_100000083586_200000210301 [0,2,0,0,0,0|1,0,1]=4 6684 B13R1.2901 COCc1cc(c(cc1F)OC)F 7a_100000083586_200000210301 [0,2,0,0,0,0|1,0,1]=4 6685 B13R1.2901 COc1cc(c(cc1F)CO[13CH3])F 34a_100000083586_200025704644 [0,2,0,0,0,0|1,0,1]=4 6686 B13R1.2901 COc1cc(c(cc1F)CO[13CH3])F 7a_100000083586_200025704644 [0,2,0,0,0,0|1,0,1]=4 6687 B13R1.3945 C=C=Cc1c(cc(cc1C)OC)C 271570a_100015277604_100012160682 [0,2,0,0,0,0|0,0,2]=4 6688 B13R1.3945 C=C=Cc1c(cc(cc1F)OC)F 271570a_100015277604_100011218311 [0,2,0,0,0,0|0,0,2]=4 6689 B13R1.3945 CC=Cc1c(cc(cc1C)OC)C 271570a_100016259895_100012160682 [0,2,0,0,0,0|0,0,2]=4 6690 B13R1.3945 CC=Cc1c(cc(cc1F)OC)F 271570a_100016259895_100011218311 [0,2,0,0,0,0|0,0,2]=4 6691 B13R1.3945 CNCc1c(cc(cc1Br)OC)F 207a_100102657272_200021118581 [0,2,0,0,0,0|1,0,1]=4 6692 B13R1.3945 CNCc1c(cc(cc1Br)OC)F 270004a_106832991635_200021118581 [0,2,0,0,0,0|1,0,1]=4 6693 B13R1.3945 CNCc1c(cc(cc1C)OC)C 207a_100102657272_100000081723 [0,2,0,0,0,0|1,0,1]=4 6694 B13R1.3945 CNCc1c(cc(cc1C)OC)C 270004a_106832991635_100000081723 [0,2,0,0,0,0|1,0,1]=4 6695 B13R1.3945 CNCc1c(cc(cc1Cl)OC)Cl 207a_100102657272_100010254371 [0,2,0,0,0,0|1,0,1]=4 6696 B13R1.3945 CNCc1c(cc(cc1Cl)OC)Cl 270004a_106832991635_100010254371 [0,2,0,0,0,0|1,0,1]=4 6697 B13R1.3945 CNCc1c(cc(cc1F)OC)F 207a_100102657272_100011830392 [0,2,0,0,0,0|1,0,1]=4 6698 B13R1.3945 CNCc1c(cc(cc1F)OC)F 2230a_106832991635_100011260758 [0,2,0,0,0,0|1,0,1]=4 6699 B13R1.3945 CNCc1c(cc(cc1F)OC)F 270004a_106832991635_100011830392 [0,2,0,0,0,0|1,0,1]=4 6700 B13R1.3945 CNCc1c(cc(cc1F)OC)F 34a_100102657272_100011260758 [0,2,0,0,0,0|1,0,1]=4 6701 B13R1.3945 CNCc1c(cc(cc1F)OC)F 34a_103624757405_200000210301 [0,2,0,0,0,0|1,0,1]=4 6702 B13R1.3945 CNCc1c(cc(cc1F)OC)F 7a_106832991635_100011260758 [0,2,0,0,0,0|1,0,1]=4 6703 B13R1.3945 COCc1c(cc(cc1F)OC)F 34a_100138415774_100011260758 [0,2,0,0,0,0|1,0,1]=4 6704 B13R1.3945 COCc1c(cc(cc1F)OC)F 34a_200011982762_200000210301 [0,2,0,0,0,0|1,0,1]=4 6705 B13R1.3945 COCc1c(cc(cc1F)OC)F 7a_200011982762_200000210301 [0,2,0,0,0,0|1,0,1]=4 6706 B13R1.3945 COc1cc(c(c(c1)F)CN[13CH3])F 34a_103624757405_200025704644 [0,2,0,0,0,0|1,0,1]=4 6707 B13R1.3945 COc1cc(c(c(c1)F)CO[13CH3])F 34a_200011982762_200025704644 [0,2,0,0,0,0|1,0,1]=4 6708 B13R1.3945 COc1cc(c(c(c1)F)CO[13CH3])F 7a_200011982762_200025704644 [0,2,0,0,0,0|1,0,1]=4 6709 B13R1.3945 COc1cc(c(c(c1)F)CSC)F 62a_100011260758_200000210301 [0,2,0,0,0,0|1,0,1]=4 6710 B13R1.3945 COc1cc(c(c(c1)F)CSC)F 62a_200000210301_100011260758 [0,2,0,0,0,0|1,0,1]=4 6711 B13R1.3945 COc1cc(c(c(c1)F)CS[13CH3])F 62a_100011260758_200025704644 [0,2,0,0,0,0|1,0,1]=4 6712 B13R1.3945 COc1cc(c(c(c1)F)CS[13CH3])F 62a_200025704644_100011260758 [0,2,0,0,0,0|1,0,1]=4 6713 B13R1.386 C=C=Cc1ccc(c(c1)C#N)OC 271570a_100015277604_100000188252 [0,2,0,0,0,0|0,0,2]=4 6714 B13R1.386 C=C=Cc1ccc(c(c1)C=O)OC 271570a_100015277604_100000170026 [0,2,0,0,0,0|0,0,2]=4 6715 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,2,0,0,0,0|0,0,2]=4 6716 B13R1.386 C=C=Cc1ccc(c(c1)CN)OC 271570a_100015277604_100000690498 [0,2,0,0,0,0|0,0,2]=4 6717 B13R1.386 C=C=Cc1ccc(c(c1)CO)OC 271570a_100015277604_100000204679 [0,2,0,0,0,0|0,0,2]=4 6718 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,2,0,0,0,0|0,0,2]=4 6719 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,2,0,0,0,0|0,0,2]=4 6720 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,2,0,0,0,0|0,0,0]=2 6721 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,2,0,0,0,0|0,0,0]=2 6722 B13R1.386 C=Cc1cc(ccc1OC)CC#N 271570a_100011290941_100011215974 [0,2,0,0,0,0|1,0,1]=4 6723 B13R1.386 C=Cc1cc(ccc1OC)CCN 271570a_100011290941_103549771065 [0,2,0,0,0,0|1,0,1]=4 6724 B13R1.386 C=Cc1cc(ccc1OC)CCO 271570a_100011290941_100011962876 [0,2,0,0,0,0|1,0,1]=4 6725 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [0,2,0,0,0,0|0,0,2]=4 6726 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [0,2,0,0,0,0|0,0,2]=4 6727 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,2,0,0,0,0|0,0,2]=4 6728 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [0,2,0,0,0,0|0,0,2]=4 6729 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [0,2,0,0,0,0|0,0,2]=4 6730 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,2,0,0,0,0|0,0,2]=4 6731 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,2,0,0,0,0|0,0,2]=4 6732 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,2,0,0,0,0|0,0,2]=4 6733 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,2,0,0,0,0|0,0,2]=4 6734 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,2,0,0,0,0|0,0,2]=4 6735 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,2,0,0,0,0|0,0,2]=4 6736 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,2,0,0,0,0|0,0,2]=4 6737 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,2,0,0,0,0|0,0,2]=4 6738 B13R1.386 CNCc1ccc(c(c1)CO)OC 207a_100102657272_100011361677 [0,2,0,0,0,0|1,0,1]=4 6739 B13R1.386 CNCc1ccc(c(c1)CO)OC 270004a_106832991635_100011361677 [0,2,0,0,0,0|1,0,1]=4 6740 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,2,0,0,0,0|1,0,1]=4 6741 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,2,0,0,0,0|1,0,1]=4 6742 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,2,0,0,0,0|1,0,1]=4 6743 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,2,0,0,0,0|1,0,1]=4 6744 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,2,0,0,0,0|1,0,1]=4 6745 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,2,0,0,0,0|1,0,1]=4 6746 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,2,0,0,0,0|1,0,1]=4 6747 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,2,0,0,0,0|1,0,1]=4 6748 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,2,0,0,0,0|1,0,1]=4 6749 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,2,0,0,0,0|1,0,1]=4 6750 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,2,0,0,0,0|1,0,1]=4 6751 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,2,0,0,0,0|1,0,1]=4 6752 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,2,0,0,0,0|1,0,1]=4 6753 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,2,0,0,0,0|1,0,1]=4 6754 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,2,0,0,0,0|1,0,1]=4 6755 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,2,0,0,0,0|1,0,1]=4 6756 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,2,0,0,0,0|1,0,1]=4 6757 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,2,0,0,0,0|1,0,1]=4 6758 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,2,0,0,0,0|1,0,1]=4 6759 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,2,0,0,0,0|1,0,1]=4 6760 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,2,0,0,0,0|1,0,1]=4 6761 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,2,0,0,0,0|1,0,1]=4 6762 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,2,0,0,0,0|1,0,1]=4 6763 B13R1.386 COc1ccc(cc1SC)CC#N 62a_100011215974_200000210301 [0,2,0,0,0,0|1,0,1]=4 6764 B13R1.386 COc1ccc(cc1SC)CC#N 62a_200000210301_100011215974 [0,2,0,0,0,0|1,0,1]=4 6765 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [0,2,0,0,0,0|1,0,1]=4 6766 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [0,2,0,0,0,0|1,0,1]=4 6767 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [0,2,0,0,0,0|1,0,1]=4 6768 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [0,2,0,0,0,0|1,0,1]=4 6769 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_100011215974_200025704644 [0,2,0,0,0,0|1,0,1]=4 6770 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_200025704644_100011215974 [0,2,0,0,0,0|1,0,1]=4 6771 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [0,2,0,0,0,0|1,0,1]=4 6772 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [0,2,0,0,0,0|1,0,1]=4 6773 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [0,2,0,0,0,0|1,0,1]=4 6774 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [0,2,0,0,0,0|1,0,1]=4 6775 B13R1.4031 C=C=Cc1cc(c(c(c1)Br)OC)C 271570a_100015277604_100010997178 [0,2,0,0,0,0|0,0,2]=4 6776 B13R1.4031 C=C=Cc1cc(c(c(c1)C)OC)C 271570a_100015277604_100000211903 [0,2,0,0,0,0|0,0,2]=4 6777 B13R1.4031 C=C=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100015277604_200010110313 [0,2,0,0,0,0|0,0,2]=4 6778 B13R1.4031 C=C=Cc1cc(c(c(c1)F)OC)F 271570a_100015277604_100009813559 [0,2,0,0,0,0|0,0,2]=4 6779 B13R1.4031 C=C=Cc1cc(c(c(c1)F)OC)N 271570a_100015277604_200010245146 [0,2,0,0,0,0|0,0,2]=4 6780 B13R1.4031 CC=Cc1cc(c(c(c1)Br)OC)C 271570a_100016259895_100010997178 [0,2,0,0,0,0|0,0,2]=4 6781 B13R1.4031 CC=Cc1cc(c(c(c1)C)OC)C 271570a_100016259895_100000211903 [0,2,0,0,0,0|0,0,2]=4 6782 B13R1.4031 CC=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100016259895_200010110313 [0,2,0,0,0,0|0,0,2]=4 6783 B13R1.4031 CC=Cc1cc(c(c(c1)F)OC)F 271570a_100016259895_100009813559 [0,2,0,0,0,0|0,0,2]=4 6784 B13R1.4031 CC=Cc1cc(c(c(c1)F)OC)N 271570a_100016259895_200010245146 [0,2,0,0,0,0|0,0,2]=4 6785 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Br 207a_100102657272_100000188323 [0,2,0,0,0,0|1,0,1]=4 6786 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Br 270004a_106832991635_100000188323 [0,2,0,0,0,0|1,0,1]=4 6787 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Cl 207a_100102657272_200009816618 [0,2,0,0,0,0|1,0,1]=4 6788 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Cl 270004a_106832991635_200009816618 [0,2,0,0,0,0|1,0,1]=4 6789 B13R1.4031 CNCc1cc(c(c(c1)C)OC)C 207a_100102657272_100000744411 [0,2,0,0,0,0|1,0,1]=4 6790 B13R1.4031 CNCc1cc(c(c(c1)C)OC)C 270004a_106832991635_100000744411 [0,2,0,0,0,0|1,0,1]=4 6791 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)Cl 207a_100102657272_200000015791 [0,2,0,0,0,0|1,0,1]=4 6792 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)Cl 270004a_106832991635_200000015791 [0,2,0,0,0,0|1,0,1]=4 6793 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 207a_100102657272_100000050411 [0,2,0,0,0,0|1,0,1]=4 6794 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 2230a_106832991635_100009815999 [0,2,0,0,0,0|1,0,1]=4 6795 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 26a_100102657272_100000061510 [0,2,0,0,0,0|1,0,1]=4 6796 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 270004a_106832991635_100000050411 [0,2,0,0,0,0|1,0,1]=4 6797 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 34a_100102657272_100009815999 [0,2,0,0,0,0|1,0,1]=4 6798 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 7a_106832991635_100009815999 [0,2,0,0,0,0|1,0,1]=4 6799 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)O 270004a_106832991635_200010620221 [0,2,0,0,0,0|1,0,1]=4 6800 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 207a_100102657272_100011830402 [0,2,0,0,0,0|1,0,1]=4 6801 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 2230a_106832991635_100011830405 [0,2,0,0,0,0|1,0,1]=4 6802 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 270004a_106832991635_100011830402 [0,2,0,0,0,0|1,0,1]=4 6803 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 34a_100102657272_100011830405 [0,2,0,0,0,0|1,0,1]=4 6804 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 34a_114929131370_200000210301 [0,2,0,0,0,0|1,0,1]=4 6805 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 7a_106832991635_100011830405 [0,2,0,0,0,0|1,0,1]=4 6806 B13R1.4031 COCc1cc(c(c(c1)Cl)OC)F 34a_100138415774_100009815999 [0,2,0,0,0,0|1,0,1]=4 6807 B13R1.4031 COCc1cc(c(c(c1)F)OC)F 34a_100011997079_200000210301 [0,2,0,0,0,0|1,0,1]=4 6808 B13R1.4031 COCc1cc(c(c(c1)F)OC)F 34a_100138415774_100011830405 [0,2,0,0,0,0|1,0,1]=4 6809 B13R1.4031 COCc1cc(c(c(c1)F)OC)F 7a_100011997079_200000210301 [0,2,0,0,0,0|1,0,1]=4 6810 B13R1.4031 COCc1cc(c(c(c1)I)OC)F 34a_100020751559_200000210301 [0,2,0,0,0,0|1,0,1]=4 6811 B13R1.4031 COCc1cc(c(c(c1)I)OC)F 7a_100020751559_200000210301 [0,2,0,0,0,0|1,0,1]=4 6812 B13R1.4031 COc1c(cc(cc1Cl)CSC)F 62a_100009815999_200000210301 [0,2,0,0,0,0|1,0,1]=4 6813 B13R1.4031 COc1c(cc(cc1Cl)CSC)F 62a_200000210301_100009815999 [0,2,0,0,0,0|1,0,1]=4 6814 B13R1.4031 COc1c(cc(cc1Cl)CS[13CH3])F 62a_100009815999_200025704644 [0,2,0,0,0,0|1,0,1]=4 6815 B13R1.4031 COc1c(cc(cc1Cl)CS[13CH3])F 62a_200025704644_100009815999 [0,2,0,0,0,0|1,0,1]=4 6816 B13R1.4031 COc1c(cc(cc1F)CN[13CH3])F 34a_114929131370_200025704644 [0,2,0,0,0,0|1,0,1]=4 6817 B13R1.4031 COc1c(cc(cc1F)CO[13CH3])F 34a_100011997079_200025704644 [0,2,0,0,0,0|1,0,1]=4 6818 B13R1.4031 COc1c(cc(cc1F)CO[13CH3])F 7a_100011997079_200025704644 [0,2,0,0,0,0|1,0,1]=4 6819 B13R1.4031 COc1c(cc(cc1F)CSC)F 62a_100011830405_200000210301 [0,2,0,0,0,0|1,0,1]=4 6820 B13R1.4031 COc1c(cc(cc1F)CSC)F 62a_200000210301_100011830405 [0,2,0,0,0,0|1,0,1]=4 6821 B13R1.4031 COc1c(cc(cc1F)CS[13CH3])F 62a_100011830405_200025704644 [0,2,0,0,0,0|1,0,1]=4 6822 B13R1.4031 COc1c(cc(cc1F)CS[13CH3])F 62a_200025704644_100011830405 [0,2,0,0,0,0|1,0,1]=4 6823 B13R1.4031 COc1c(cc(cc1I)CO[13CH3])F 34a_100020751559_200025704644 [0,2,0,0,0,0|1,0,1]=4 6824 B13R1.4031 COc1c(cc(cc1I)CO[13CH3])F 7a_100020751559_200025704644 [0,2,0,0,0,0|1,0,1]=4 6825 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,0,1,1,0,0|0,0,2]=4 6826 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,0,1,1,0,0|0,0,2]=4 6827 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,0,1,1,0,0|0,0,2]=4 6828 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,0,1,1,0,0|1,0,1]=4 6829 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,0,1,1,0,0|0,0,2]=4 6830 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [0,0,1,1,0,0|0,0,2]=4 6831 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,0,1,1,0,0|0,0,2]=4 6832 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,0,1,1,0,0|0,0,2]=4 6833 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,0,1,1,0,0|0,0,2]=4 6834 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,0,1,1,0,0|0,0,2]=4 6835 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [0,0,1,1,0,0|0,0,2]=4 6836 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [0,0,1,1,0,0|1,0,1]=4 6837 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [0,0,1,1,0,0|1,0,1]=4 6838 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [0,0,1,1,0,0|1,0,1]=4 6839 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [0,0,1,1,0,0|1,0,1]=4 6840 B11R1.280 C=Cc1cc(ccc1Br)OC 271570a_100011290941_100009992028 [0,0,1,1,0,0|1,0,1]=4 6841 B11R1.280 C=Cc1cc(ccc1C)OC 271570a_100011290941_100012349166 [0,0,1,1,0,0|0,0,2]=4 6842 B11R1.280 C=Cc1cc(ccc1Cl)OC 271570a_100011290941_100011356938 [0,0,1,1,0,0|1,0,1]=4 6843 B11R1.280 C=Cc1cc(ccc1F)OC 271570a_100011290941_100000699733 [0,0,1,1,0,0|1,0,1]=4 6844 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [0,0,1,1,0,0|1,0,1]=4 6845 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [0,0,1,1,0,0|1,0,1]=4 6846 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|0,0,2]=4 6847 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|0,0,2]=4 6848 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|0,0,2]=4 6849 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,0,0,1,0,0|2,0,0]=4 6850 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,1,0,0|1,0,0]=3 6851 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [1,0,0,1,0,0|2,0,0]=4 6852 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,1,0,0|2,0,0]=4 6853 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,0,0,1,0,0|2,0,0]=4 6854 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,1,0,0|0,0,0]=2 6855 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,1,0,0|0,0,2]=4 6856 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|0,0,2]=4 6857 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [1,0,0,1,0,0|1,0,1]=4 6858 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [1,0,0,1,0,0|1,0,1]=4 6859 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|1,0,1]=4 6860 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,1]=4 6861 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,1,0,0|1,0,1]=4 6862 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,1,0,0|1,0,1]=4 6863 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,1,0,0|1,0,1]=4 6864 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,1,0,0|1,0,1]=4 6865 B11R2.36 Oc1ccc2nccn2c1 271570a_203496583355_100000746083 [1,0,0,1,0,0|2,0,0]=4 6866 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,1,0,0|2,0,0]=4 6867 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [1,0,0,1,0,0|2,0,0]=4 6868 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,1,0,0|1,0,0]=3 6869 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [1,0,0,1,0,0|2,0,0]=4 6870 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,1,0,0|2,0,0]=4 6871 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,1,0,0|2,0,0]=4 6872 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,1,0,0|1,0,0]=3 6873 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [1,0,0,1,0,0|2,0,0]=4 6874 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,1,0,0|2,0,0]=4 6875 B11R2.36 Oc1ccn2nccc2c1 271570a_203496583355_100000763084 [1,0,0,1,0,0|2,0,0]=4 6876 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,1,0,0|2,0,0]=4 6877 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,1,0,0|2,0,0]=4 6878 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|1,0,0]=3 6879 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [1,0,0,1,0,0|0,1,1]=4 6880 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [1,0,0,1,0,0|0,1,1]=4 6881 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [1,0,0,1,0,0|0,1,1]=4 6882 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [1,0,0,1,0,0|0,1,1]=4 6883 B13R2.184 COc1ccc(cc1)NC2CC2 34a_100000184247_100000211595 [0,1,0,1,0,0|0,0,2]=4 6884 B13R2.184 COc1ccc(cc1)OC2CC2 34a_100000210503_100000211595 [0,1,0,1,0,0|0,0,2]=4 6885 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,1,0,0|2,0,0]=4 6886 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,1,0,0|1,0,0]=3 6887 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,1,0,0|1,0,0]=3 6888 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,1,0,0|1,0,1]=4 6889 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,1,0,0|1,0,1]=4 6890 B13R2.2121 COc1ccc2c(c1)CN(C2)C 269982a_100000051402_200000210301 [0,1,0,1,0,0|1,0,1]=4 6891 B13R2.2121 COc1ccc2c(c1)CN(C2)C 34a_100000051402_200000210301 [0,1,0,1,0,0|1,0,1]=4 6892 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 269982a_100000051402_200025704644 [0,1,0,1,0,0|1,0,1]=4 6893 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 34a_100000051402_200025704644 [0,1,0,1,0,0|1,0,1]=4 6894 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,1,0,1,0,0|0,0,2]=4 6895 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,1,0,0|0,0,2]=4 6896 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,1,0,0|0,0,2]=4 6897 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,1,0,0|1,0,1]=4 6898 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,1,0,0|1,0,1]=4 6899 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,1,0,1,0,0|2,0,0]=4 6900 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,1,0,1,0,0|1,0,1]=4 6901 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,1,0,1,0,0|1,0,1]=4 6902 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,1,0,1,0,0|2,0,0]=4 6903 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,1,0,1,0,0|2,0,0]=4 6904 B13R2.2121 COc1ccc2nn(cc2c1)C 34a_100000106843_200000210301 [0,1,0,1,0,0|2,0,0]=4 6905 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,1,0,0|1,0,1]=4 6906 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,1,0,0|1,0,1]=4 6907 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,1,0,1,0,0|2,0,0]=4 6908 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,1,0,1,0,0|2,0,0]=4 6909 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,1,0,1,0,0|1,0,1]=4 6910 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,1,0,1,0,0|1,0,1]=4 6911 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,1,0,1,0,0|2,0,0]=4 6912 B13R2.2121 CSc1ccc2[nH]c(cc2c1)C 62a_200000210301_100011214893 [0,1,0,1,0,0|1,1,0]=4 6913 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,1,0,0|0,1,1]=4 6914 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,1,0,1,0,0|1,1,0]=4 6915 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,1,0,1,0,0|1,1,0]=4 6916 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,1,0,1,0,0|1,1,0]=4 6917 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,1,0,0|1,0,0]=3 6918 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,1,0,0|1,0,0]=3 6919 B13R2.2121 Cc1cc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011214893 [0,1,0,1,0,0|1,1,0]=4 6920 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,1,0,1,0,0|1,1,0]=4 6921 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,1,0,1,0,0|1,1,0]=4 6922 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,1,0,1,0,0|0,0,2]=4 6923 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,1,0,0|0,0,2]=4 6924 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,1,0,0|0,0,2]=4 6925 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,1,0,0|1,0,1]=4 6926 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,1,0,0|1,0,1]=4 6927 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,1,0,1,0,0|1,0,1]=4 6928 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,1,0,1,0,0|1,0,1]=4 6929 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,1,0,0|1,0,1]=4 6930 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,1,0,0|1,0,1]=4 6931 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,1,0,1,0,0|1,0,1]=4 6932 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,1,0,1,0,0|1,0,1]=4 6933 B13R2.2121 Cn1cc2cc(ccc2n1)O[13CH3] 34a_100000106843_200025704644 [0,1,0,1,0,0|2,0,0]=4 6934 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,1,0,0|2,0,0]=4 6935 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,1,0,0|1,0,1]=4 6936 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,1,0,0|1,0,1]=4 6937 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,1,0,1,0,0|2,0,0]=4 6938 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,1,0,1,0,0|2,0,0]=4 6939 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,1,0,1,0,0|2,0,0]=4 6940 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,1,0,1,0,0|2,0,0]=4 6941 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,1,0,1,0,0|2,0,0]=4 6942 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,1,0,0|0,1,1]=4 6943 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,1,0,1,0,0|1,1,0]=4 6944 B13R2.2130 CNc1ccc2c(c1)ccn2C 34a_100011270241_200000210301 [0,1,0,1,0,0|2,0,0]=4 6945 B13R2.2130 COc1ccc2c(c1)cnn2C 34a_100009859523_200000210301 [0,1,0,1,0,0|2,0,0]=4 6946 B13R2.2130 COc1ccc2c(c1)cnn2C 7a_100009859523_200000210301 [0,1,0,1,0,0|2,0,0]=4 6947 B13R2.2130 COc1ccc2c(c1)ncn2C 34a_100000028553_200000210301 [0,1,0,1,0,0|2,0,0]=4 6948 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,1,0,0|0,1,1]=4 6949 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,1,0,0|0,1,1]=4 6950 B13R2.2130 CSc1ccc2c(c1)ccn2C 62a_200000210301_100011202928 [0,1,0,1,0,0|1,1,0]=4 6951 B13R2.2130 Cn1ccc2c1ccc(c2)N[13CH3] 34a_100011270241_200025704644 [0,1,0,1,0,0|2,0,0]=4 6952 B13R2.2130 Cn1ccc2c1ccc(c2)S[13CH3] 62a_200025704644_100011202928 [0,1,0,1,0,0|1,1,0]=4 6953 B13R2.2130 Cn1cnc2c1ccc(c2)O[13CH3] 34a_100000028553_200025704644 [0,1,0,1,0,0|2,0,0]=4 6954 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 34a_100009859523_200025704644 [0,1,0,1,0,0|2,0,0]=4 6955 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 7a_100009859523_200025704644 [0,1,0,1,0,0|2,0,0]=4 6956 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,1,0,0|0,1,1]=4 6957 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,1,0,0|0,1,1]=4 6958 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,1,0,1,0,0|1,0,1]=4 6959 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,1,0,1,0,0|1,0,1]=4 6960 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [0,1,0,1,0,0|1,0,1]=4 6961 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [0,1,0,1,0,0|1,0,1]=4 6962 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [0,1,0,1,0,0|1,0,1]=4 6963 B13R2.57 CNc1ccc2nccnc2c1 27a_100102657272_100011219451 [0,1,0,1,0,0|2,0,0]=4 6964 B13R2.57 CNc1ccc2nccnc2c1 34a_100011219565_200000210301 [0,1,0,1,0,0|2,0,0]=4 6965 B13R2.57 COc1ccc2c(c1)CCCC2 34a_100000186212_200000210301 [0,1,0,1,0,0|0,0,2]=4 6966 B13R2.57 COc1ccc2c(c1)CCCC2 7a_100000186212_200000210301 [0,1,0,1,0,0|0,0,2]=4 6967 B13R2.57 COc1ccc2c(c1)CCCN2 34a_100000070867_200000210301 [0,1,0,1,0,0|0,0,2]=4 6968 B13R2.57 COc1ccc2c(c1)CCNC2 34a_100000077532_200000210301 [0,1,0,1,0,0|0,0,2]=4 6969 B13R2.57 COc1ccc2c(c1)CCOC2 34a_100009841951_200000210301 [0,1,0,1,0,0|0,0,2]=4 6970 B13R2.57 COc1ccc2c(c1)CCOC2 7a_100009841951_200000210301 [0,1,0,1,0,0|0,0,2]=4 6971 B13R2.57 COc1ccc2c(c1)CNCC2 34a_100015185785_200000210301 [0,1,0,1,0,0|0,0,2]=4 6972 B13R2.57 COc1ccc2c(c1)NCCC2 34a_106638131596_200000210301 [0,1,0,1,0,0|0,0,2]=4 6973 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,1,0,1,0,0|1,0,1]=4 6974 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|1,0,1]=4 6975 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,1,0,1,0,0|0,0,1]=3 6976 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,1,0,1,0,0|0,0,1]=3 6977 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [0,1,0,1,0,0|0,0,1]=3 6978 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [0,1,0,1,0,0|0,0,1]=3 6979 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [0,1,0,1,0,0|0,0,1]=3 6980 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [0,1,0,1,0,0|0,0,1]=3 6981 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [0,1,0,1,0,0|0,0,1]=3 6982 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [0,1,0,1,0,0|0,0,1]=3 6983 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [0,1,0,1,0,0|1,0,0]=3 6984 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,1,0,1,0,0|1,0,1]=4 6985 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,1,0,1,0,0|1,0,1]=4 6986 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,1,0,1,0,0|0,1,1]=4 6987 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [0,1,0,1,0,0|0,1,1]=4 6988 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [0,1,0,1,0,0|0,1,1]=4 6989 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [0,1,0,1,0,0|0,1,1]=4 6990 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [0,1,0,1,0,0|0,1,1]=4 6991 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [0,1,0,1,0,0|0,1,1]=4 6992 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [0,1,0,1,0,0|0,1,1]=4 6993 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [0,1,0,1,0,0|0,1,1]=4 6994 B13R2.57 CSc1ccc2nccnc2c1 62a_100011219451_200000210301 [0,1,0,1,0,0|1,1,0]=4 6995 B13R2.57 CSc1ccc2nccnc2c1 62a_200000210301_100011219451 [0,1,0,1,0,0|1,1,0]=4 6996 B13R2.57 CSc1ccc2ncncc2c1 62a_100009989443_200000210301 [0,1,0,1,0,0|1,1,0]=4 6997 B13R2.57 CSc1ccc2ncncc2c1 62a_200000210301_100009989443 [0,1,0,1,0,0|1,1,0]=4 6998 B13R2.57 CSc1ccc2nnccc2c1 62a_100010209549_200000210301 [0,1,0,1,0,0|1,1,0]=4 6999 B13R2.57 CSc1ccc2nnccc2c1 62a_200000210301_100010209549 [0,1,0,1,0,0|1,1,0]=4 7000 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,1,0,1,0,0|1,0,1]=4 7001 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,1,0,1,0,0|1,0,1]=4 7002 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [0,1,0,1,0,0|1,0,1]=4 7003 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [0,1,0,1,0,0|1,0,1]=4 7004 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [0,1,0,1,0,0|1,0,1]=4 7005 B13R2.57 [13CH3]Nc1ccc2nccnc2c1 34a_100011219565_200025704644 [0,1,0,1,0,0|2,0,0]=4 7006 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCC2 34a_100000186212_200025704644 [0,1,0,1,0,0|0,0,2]=4 7007 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCC2 7a_100000186212_200025704644 [0,1,0,1,0,0|0,0,2]=4 7008 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCN2 34a_100000070867_200025704644 [0,1,0,1,0,0|0,0,2]=4 7009 B13R2.57 [13CH3]Oc1ccc2c(c1)CCNC2 34a_100000077532_200025704644 [0,1,0,1,0,0|0,0,2]=4 7010 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 34a_100009841951_200025704644 [0,1,0,1,0,0|0,0,2]=4 7011 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 7a_100009841951_200025704644 [0,1,0,1,0,0|0,0,2]=4 7012 B13R2.57 [13CH3]Oc1ccc2c(c1)CNCC2 34a_100015185785_200025704644 [0,1,0,1,0,0|0,0,2]=4 7013 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCC2 34a_106638131596_200025704644 [0,1,0,1,0,0|0,0,2]=4 7014 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,1,0,1,0,0|1,0,1]=4 7015 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|1,0,1]=4 7016 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,1,0,1,0,0|0,0,1]=3 7017 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,1,0,1,0,0|0,0,1]=3 7018 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [0,1,0,1,0,0|0,0,1]=3 7019 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [0,1,0,1,0,0|0,0,1]=3 7020 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [0,1,0,1,0,0|0,0,1]=3 7021 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [0,1,0,1,0,0|0,0,1]=3 7022 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [0,1,0,1,0,0|0,0,1]=3 7023 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [0,1,0,1,0,0|0,0,1]=3 7024 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [0,1,0,1,0,0|1,0,0]=3 7025 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,1,0,1,0,0|1,0,1]=4 7026 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,1,0,1,0,0|1,0,1]=4 7027 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,1,0,1,0,0|0,1,1]=4 7028 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [0,1,0,1,0,0|0,1,1]=4 7029 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [0,1,0,1,0,0|0,1,1]=4 7030 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [0,1,0,1,0,0|0,1,1]=4 7031 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [0,1,0,1,0,0|0,1,1]=4 7032 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [0,1,0,1,0,0|0,1,1]=4 7033 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [0,1,0,1,0,0|0,1,1]=4 7034 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [0,1,0,1,0,0|0,1,1]=4 7035 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_100011219451_200025704644 [0,1,0,1,0,0|1,1,0]=4 7036 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_200025704644_100011219451 [0,1,0,1,0,0|1,1,0]=4 7037 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_100009989443_200025704644 [0,1,0,1,0,0|1,1,0]=4 7038 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_200025704644_100009989443 [0,1,0,1,0,0|1,1,0]=4 7039 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_100010209549_200025704644 [0,1,0,1,0,0|1,1,0]=4 7040 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_200025704644_100010209549 [0,1,0,1,0,0|1,1,0]=4 7041 B13R2.467 C=CCSc1ccc2c(c1)CC2 62a_100000210623_100009818592 [0,1,0,1,0,0|1,0,0]=3 7042 B13R2.467 C=CCSc1ccc2c(c1)CC2 62a_100009818592_100000210623 [0,1,0,1,0,0|1,0,0]=3 7043 B13R2.467 O=CCSc1ccc2c(c1)CC2 62a_100009818592_200015260668 [0,1,0,1,0,0|2,0,0]=4 7044 B13R2.467 O=CCSc1ccc2c(c1)CC2 62a_200015260668_100009818592 [0,1,0,1,0,0|2,0,0]=4 7045 B13R2.669 CNc1ccc2scc(c2c1)Br 2230a_100011178648_200000210301 [0,1,0,1,0,0|2,0,0]=4 7046 B13R2.669 CNc1ccc2scc(c2c1)Br 34a_100011178648_200000210301 [0,1,0,1,0,0|2,0,0]=4 7047 B13R2.669 COc1cc2c(c[nH]c2cn1)O 271570a_203496583355_200010163580 [0,1,0,1,0,0|2,0,0]=4 7048 B13R2.669 COc1ccc2[nH]cc(c2c1)C 34a_100000131216_200000210301 [0,1,0,1,0,0|1,0,0]=3 7049 B13R2.669 COc1ccc2[nH]cc(c2n1)O 271570a_203496583355_100010199035 [0,1,0,1,0,0|2,0,0]=4 7050 B13R2.669 COc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353730 [0,1,0,1,0,0|2,0,0]=4 7051 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [0,1,0,1,0,0|0,0,1]=3 7052 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [0,1,0,1,0,0|0,0,1]=3 7053 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [0,1,0,1,0,0|1,0,0]=3 7054 B13R2.669 COc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010199036 [0,1,0,1,0,0|2,0,0]=4 7055 B13R2.669 CSc1ccc2[nH]cc(c2c1)C 62a_200000210301_100009816687 [0,1,0,1,0,0|1,1,0]=4 7056 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_100000759401_200000210301 [0,1,0,1,0,0|0,1,1]=4 7057 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_200000210301_100000759401 [0,1,0,1,0,0|0,1,1]=4 7058 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,1,0,1,0,0|1,1,0]=4 7059 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_100000688121_200000210301 [0,1,0,1,0,0|1,1,0]=4 7060 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_200000210301_100000688121 [0,1,0,1,0,0|1,1,0]=4 7061 B13R2.669 CSc1ccc2c(c1)C(=O)OC2 62a_100000693025_200000210301 [0,1,0,1,0,0|1,1,0]=4 7062 B13R2.669 CSc1ccc2occ(c2c1)C 62a_200000210301_100000728893 [0,1,0,1,0,0|1,1,0]=4 7063 B13R2.669 CSc1ccc2scc(c2c1)C 62a_200000210301_100009814196 [0,1,0,1,0,0|1,1,0]=4 7064 B13R2.669 Cc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000131216_200025704644 [0,1,0,1,0,0|1,0,0]=3 7065 B13R2.669 Cc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009816687 [0,1,0,1,0,0|1,1,0]=4 7066 B13R2.669 Cc1coc2c1cc(cc2)S[13CH3] 62a_200025704644_100000728893 [0,1,0,1,0,0|1,1,0]=4 7067 B13R2.669 Cc1csc2c1cc(cc2)S[13CH3] 62a_200025704644_100009814196 [0,1,0,1,0,0|1,1,0]=4 7068 B13R2.669 [13CH3]Nc1ccc2scc(c2c1)Br 2230a_100011178648_200025704644 [0,1,0,1,0,0|2,0,0]=4 7069 B13R2.669 [13CH3]Nc1ccc2scc(c2c1)Br 34a_100011178648_200025704644 [0,1,0,1,0,0|2,0,0]=4 7070 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [0,1,0,1,0,0|0,0,1]=3 7071 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [0,1,0,1,0,0|0,0,1]=3 7072 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [0,1,0,1,0,0|1,0,0]=3 7073 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_100000759401_200025704644 [0,1,0,1,0,0|0,1,1]=4 7074 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_200025704644_100000759401 [0,1,0,1,0,0|0,1,1]=4 7075 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,1,0,1,0,0|1,1,0]=4 7076 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_100000688121_200025704644 [0,1,0,1,0,0|1,1,0]=4 7077 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_200025704644_100000688121 [0,1,0,1,0,0|1,1,0]=4 7078 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)OC2 62a_100000693025_200025704644 [0,1,0,1,0,0|1,1,0]=4 7079 B13R2.60 CCOc1ccc(cc1)C2CC2 271570a_100011220607_100000169946 [0,1,0,1,0,0|0,0,2]=4 7080 B13R2.60 CCOc1ccc(cc1)C2CC2 34a_100011997980_100000210202 [0,1,0,1,0,0|0,0,2]=4 7081 B13R2.60 CCOc1ccc(cc1)C2CC2 7a_100011997980_100000210202 [0,1,0,1,0,0|0,0,2]=4 7082 B13R2.60 COCc1ccc(cc1)C2CC2 271570a_100011220607_100011493685 [0,1,0,1,0,0|0,0,2]=4 7083 B13R2.60 COCc1ccc(cc1)C2CC2 34a_100011258775_200000210301 [0,1,0,1,0,0|0,0,2]=4 7084 B13R2.60 COCc1ccc(cc1)C2CC2 7a_100011258775_200000210301 [0,1,0,1,0,0|0,0,2]=4 7085 B13R2.60 FCOc1ccc(cc1)C2CC2 34a_100011997980_100015361967 [0,1,0,1,0,0|0,0,2]=4 7086 B13R2.60 FCOc1ccc(cc1)C2CC2 7a_100011997980_100015361967 [0,1,0,1,0,0|0,0,2]=4 7087 B13R2.60 O=CCc1ccc(cc1)C2CC2 271570a_100011220607_100011361690 [0,1,0,1,0,0|2,0,0]=4 7088 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 34a_100011258775_200025704644 [0,1,0,1,0,0|0,0,2]=4 7089 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 7a_100011258775_200025704644 [0,1,0,1,0,0|0,0,2]=4 7090 B13R2.430 C=C(C)c1ccc2[nH]ccc2c1 271570a_100000694244_100000211741 [0,1,0,1,0,0|2,0,0]=4 7091 B13R2.430 C=C(C)c1ccc2c(c1)C=CC2 271570a_100000694244_100009814306 [0,1,0,1,0,0|1,0,0]=3 7092 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,1,0,1,0,0|2,0,0]=4 7093 B13R2.430 C=C(C)c1ccc2sccc2c1 271570a_100000694244_100009814439 [0,1,0,1,0,0|2,0,0]=4 7094 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,1,0,1,0,0|2,0,0]=4 7095 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,1,0,0|2,0,0]=4 7096 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,1,0,1,0,0|2,0,0]=4 7097 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,1,0,1,0,0|2,0,0]=4 7098 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,1,0,0|2,0,0]=4 7099 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,1,0,1,0,0|2,0,0]=4 7100 B13R2.654 COc1cc(c2[nH]ncc2c1)O 271570a_203496583355_100010292072 [0,1,0,1,0,0|2,0,0]=4 7101 B13R2.654 COc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006585 [0,1,0,1,0,0|1,0,1]=4 7102 B13R2.654 COc1cc(c2nc[nH]c2c1)O 271570a_203496583355_100102526192 [0,1,0,1,0,0|2,0,0]=4 7103 B13R2.654 COc1cc(c2ncsc2c1)C 34a_200009842467_200000210301 [0,1,0,1,0,0|2,0,0]=4 7104 B13R2.654 COc1cc(c2ncsc2c1)C 7a_200009842467_200000210301 [0,1,0,1,0,0|2,0,0]=4 7105 B13R2.654 COc1cc(c2occc2c1)Br 34a_200010248604_200000210301 [0,1,0,1,0,0|1,0,0]=3 7106 B13R2.654 COc1cc(c2occc2c1)Br 7a_200010248604_200000210301 [0,1,0,1,0,0|1,0,0]=3 7107 B13R2.654 CSc1cc(c2[nH]ccc2c1)C 62a_200000210301_100009817142 [0,1,0,1,0,0|1,1,0]=4 7108 B13R2.654 CSc1cc(c2[nH]ccc2c1)F 62a_200000210301_100010138380 [0,1,0,1,0,0|1,1,0]=4 7109 B13R2.654 CSc1cc(c2[nH]ccc2c1)N 62a_200000210301_100009813507 [0,1,0,1,0,0|1,1,0]=4 7110 B13R2.654 CSc1cc(c2occc2c1)C 62a_200000210301_100012361858 [0,1,0,1,0,0|1,1,0]=4 7111 B13R2.654 CSc1cc(c2occc2c1)F 62a_200000210301_100012355474 [0,1,0,1,0,0|1,1,0]=4 7112 B13R2.654 Cc1cc(cc2c1[nH]cc2)S[13CH3] 62a_200025704644_100009817142 [0,1,0,1,0,0|1,1,0]=4 7113 B13R2.654 Cc1cc(cc2c1ncs2)O[13CH3] 34a_200009842467_200025704644 [0,1,0,1,0,0|2,0,0]=4 7114 B13R2.654 Cc1cc(cc2c1ncs2)O[13CH3] 7a_200009842467_200025704644 [0,1,0,1,0,0|2,0,0]=4 7115 B13R2.654 Cc1cc(cc2c1occ2)S[13CH3] 62a_200025704644_100012361858 [0,1,0,1,0,0|1,1,0]=4 7116 B13R2.654 [13CH3]Oc1cc(c2occc2c1)Br 34a_200010248604_200025704644 [0,1,0,1,0,0|1,0,0]=3 7117 B13R2.654 [13CH3]Oc1cc(c2occc2c1)Br 7a_200010248604_200025704644 [0,1,0,1,0,0|1,0,0]=3 7118 B13R2.654 [13CH3]Sc1cc(c2[nH]ccc2c1)F 62a_200025704644_100010138380 [0,1,0,1,0,0|1,1,0]=4 7119 B13R2.654 [13CH3]Sc1cc(c2[nH]ccc2c1)N 62a_200025704644_100009813507 [0,1,0,1,0,0|1,1,0]=4 7120 B13R2.654 [13CH3]Sc1cc(c2occc2c1)F 62a_200025704644_100012355474 [0,1,0,1,0,0|1,1,0]=4 7121 B13R2.2170 COc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012349170 [0,1,0,1,0,0|0,0,2]=4 7122 B13R2.2170 COc1ccc(c(c1)C)C2CC2 271570a_100011220607_100000759875 [0,1,0,1,0,0|0,0,2]=4 7123 B13R2.2170 COc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000753793 [0,1,0,1,0,0|0,0,2]=4 7124 B13R2.2170 COc1ccc(c(c1)N)C2CC2 271570a_100011220607_100000748021 [0,1,0,1,0,0|0,0,2]=4 7125 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [0,1,0,1,0,0|0,0,2]=4 7126 B13R2.449 C=C=Cc1ccc2c(c1)C=CC2 271570a_100015277604_100009814306 [0,1,0,1,0,0|1,0,1]=4 7127 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,1,0,1,0,0|0,0,2]=4 7128 B13R2.449 C=C=Cc1ccc2c(c1)COC2 271570a_100015277604_100000698232 [0,1,0,1,0,0|0,0,2]=4 7129 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,1,0,1,0,0|0,0,2]=4 7130 B13R2.449 CC=Cc1ccc2[nH]ccc2c1 271570a_100016259895_100000211741 [0,1,0,1,0,0|2,0,0]=4 7131 B13R2.449 CC=Cc1ccc2c(c1)C=CC2 271570a_100016259895_100009814306 [0,1,0,1,0,0|1,0,0]=3 7132 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,1,0,1,0,0|0,0,2]=4 7133 B13R2.449 CC=Cc1ccc2c(c1)COC2 271570a_100016259895_100000698232 [0,1,0,1,0,0|0,0,2]=4 7134 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,1,0,1,0,0|0,0,2]=4 7135 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,1,0,1,0,0|2,0,0]=4 7136 B13R2.449 CC=Cc1ccc2sccc2c1 271570a_100016259895_100009814439 [0,1,0,1,0,0|2,0,0]=4 7137 B13R2.449 CCNc1ccc2occc2c1 34a_106430523501_100000210202 [0,1,0,1,0,0|2,0,0]=4 7138 B13R2.449 CCNc1ccc2sccc2c1 34a_100000681076_100000210202 [0,1,0,1,0,0|2,0,0]=4 7139 B13R2.449 CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210202 [0,1,0,1,0,0|1,0,0]=3 7140 B13R2.449 CCOc1ccc2c(c1)CCC2 34a_100000209987_100000210202 [0,1,0,1,0,0|0,0,2]=4 7141 B13R2.449 CCOc1ccc2c(c1)CCC2 7a_100000209987_100000210202 [0,1,0,1,0,0|0,0,2]=4 7142 B13R2.449 CCOc1ccc2c(c1)CNC2 34a_100015195982_100000210202 [0,1,0,1,0,0|1,0,1]=4 7143 B13R2.449 CCOc1ccc2c(c1)NCC2 34a_100020636427_100000210202 [0,1,0,1,0,0|1,0,1]=4 7144 B13R2.449 CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210202 [0,1,0,1,0,0|1,0,1]=4 7145 B13R2.449 CCOc1ccc2ccoc2c1 34a_100000089557_100000210202 [0,1,0,1,0,0|1,0,1]=4 7146 B13R2.449 CCOc1ccc2ccoc2c1 7a_100000089557_100000210202 [0,1,0,1,0,0|1,0,1]=4 7147 B13R2.449 CCOc1ccc2ncsc2c1 34a_100011995850_100000210202 [0,1,0,1,0,0|2,0,0]=4 7148 B13R2.449 CCOc1ccc2ncsc2c1 7a_100011995850_100000210202 [0,1,0,1,0,0|2,0,0]=4 7149 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [0,1,0,1,0,0|1,0,0]=3 7150 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [0,1,0,1,0,0|1,0,0]=3 7151 B13R2.449 CCOc1ccc2sccc2c1 34a_100012180905_100000210202 [0,1,0,1,0,0|1,0,0]=3 7152 B13R2.449 CCOc1ccc2sccc2c1 7a_100012180905_100000210202 [0,1,0,1,0,0|1,0,0]=3 7153 B13R2.449 CCOc1ccc2scnc2c1 34a_200009850626_100000210202 [0,1,0,1,0,0|2,0,0]=4 7154 B13R2.449 CCOc1ccc2scnc2c1 7a_200009850626_100000210202 [0,1,0,1,0,0|2,0,0]=4 7155 B13R2.449 CCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210202 [0,1,0,1,0,0|2,0,0]=4 7156 B13R2.449 CCSc1ccc2[nH]ccc2c1 62a_100000210202_100000035808 [0,1,0,1,0,0|1,1,0]=4 7157 B13R2.449 CCSc1ccc2c(c1)C=CC2 62a_100000210202_100009814306 [0,1,0,1,0,0|0,1,0]=3 7158 B13R2.449 CCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210202 [0,1,0,1,0,0|0,1,0]=3 7159 B13R2.449 CCSc1ccc2occc2c1 62a_100000210202_100000691453 [0,1,0,1,0,0|1,1,0]=4 7160 B13R2.449 CCSc1ccc2sccc2c1 62a_100000210202_100009814439 [0,1,0,1,0,0|1,1,0]=4 7161 B13R2.449 CNCc1ccc2[nH]ccc2c1 207a_100102657272_100011197475 [0,1,0,1,0,0|2,0,0]=4 7162 B13R2.449 CNCc1ccc2[nH]ccc2c1 270004a_106832991635_100011197475 [0,1,0,1,0,0|2,0,0]=4 7163 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,1,0,1,0,0|1,0,1]=4 7164 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,1,0,1,0,0|1,0,1]=4 7165 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,1,0,1,0,0|1,0,1]=4 7166 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,1,0,1,0,0|1,0,1]=4 7167 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,1,0,1,0,0|1,0,1]=4 7168 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,1,0,1,0,0|1,0,1]=4 7169 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,1,0,1,0,0|1,0,1]=4 7170 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,1,0,1,0,0|1,0,1]=4 7171 B13R2.449 CNCc1ccc2occc2c1 207a_100102657272_100000040644 [0,1,0,1,0,0|2,0,0]=4 7172 B13R2.449 CNCc1ccc2occc2c1 2230a_100020591328_200000210301 [0,1,0,1,0,0|2,0,0]=4 7173 B13R2.449 CNCc1ccc2occc2c1 26a_100102657272_100000070125 [0,1,0,1,0,0|2,0,0]=4 7174 B13R2.449 CNCc1ccc2occc2c1 270004a_106832991635_100000040644 [0,1,0,1,0,0|2,0,0]=4 7175 B13R2.449 CNCc1ccc2occc2c1 34a_100020591328_200000210301 [0,1,0,1,0,0|2,0,0]=4 7176 B13R2.449 CNCc1ccc2sccc2c1 207a_100102657272_100000050658 [0,1,0,1,0,0|2,0,0]=4 7177 B13R2.449 CNCc1ccc2sccc2c1 2230a_100000732457_200000210301 [0,1,0,1,0,0|2,0,0]=4 7178 B13R2.449 CNCc1ccc2sccc2c1 270004a_106832991635_100000050658 [0,1,0,1,0,0|2,0,0]=4 7179 B13R2.449 CNCc1ccc2sccc2c1 34a_100000732457_200000210301 [0,1,0,1,0,0|2,0,0]=4 7180 B13R2.449 COCc1ccc2c(c1)CCC2 34a_200000765175_200000210301 [0,1,0,1,0,0|0,0,2]=4 7181 B13R2.449 COCc1ccc2c(c1)CCC2 7a_200000765175_200000210301 [0,1,0,1,0,0|0,0,2]=4 7182 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,1,0,1,0,0|1,0,1]=4 7183 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,1,0,1,0,0|1,0,1]=4 7184 B13R2.449 COCc1ccc2c(c1)NCC2 34a_100000694088_200000210301 [0,1,0,1,0,0|1,0,1]=4 7185 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,1,0,0|1,0,1]=4 7186 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,1,0,0|1,0,1]=4 7187 B13R2.449 COCc1ccc2ccoc2c1 34a_200009859634_200000210301 [0,1,0,1,0,0|1,0,1]=4 7188 B13R2.449 COCc1ccc2ccoc2c1 7a_200009859634_200000210301 [0,1,0,1,0,0|1,0,1]=4 7189 B13R2.449 COCc1ccc2ccsc2c1 34a_100010262773_200000210301 [0,1,0,1,0,0|1,0,1]=4 7190 B13R2.449 COCc1ccc2ccsc2c1 7a_100010262773_200000210301 [0,1,0,1,0,0|1,0,1]=4 7191 B13R2.449 COCc1ccc2ncoc2c1 34a_100138415774_106359897996 [0,1,0,1,0,0|2,0,0]=4 7192 B13R2.449 COCc1ccc2ncsc2c1 34a_100138415774_100009847474 [0,1,0,1,0,0|2,0,0]=4 7193 B13R2.449 COCc1ccc2occc2c1 34a_100000067418_200000210301 [0,1,0,1,0,0|1,0,0]=3 7194 B13R2.449 COCc1ccc2occc2c1 7a_100000067418_200000210301 [0,1,0,1,0,0|1,0,0]=3 7195 B13R2.449 COCc1ccc2ocnc2c1 34a_100138415774_200010203175 [0,1,0,1,0,0|2,0,0]=4 7196 B13R2.449 COCc1ccc2sccc2c1 34a_100000068000_200000210301 [0,1,0,1,0,0|1,0,0]=3 7197 B13R2.449 COCc1ccc2sccc2c1 7a_100000068000_200000210301 [0,1,0,1,0,0|1,0,0]=3 7198 B13R2.449 COCc1ccc2scnc2c1 34a_100009883289_200000210301 [0,1,0,1,0,0|2,0,0]=4 7199 B13R2.449 FCNc1ccc2occc2c1 34a_106430523501_100015361967 [0,1,0,1,0,0|2,0,0]=4 7200 B13R2.449 FCNc1ccc2sccc2c1 34a_100000681076_100015361967 [0,1,0,1,0,0|2,0,0]=4 7201 B13R2.449 FCOc1ccc2[nH]ccc2c1 34a_100000756620_100015361967 [0,1,0,1,0,0|1,0,0]=3 7202 B13R2.449 FCOc1ccc2c(c1)CCC2 34a_100000209987_100015361967 [0,1,0,1,0,0|0,0,2]=4 7203 B13R2.449 FCOc1ccc2c(c1)CCC2 7a_100000209987_100015361967 [0,1,0,1,0,0|0,0,2]=4 7204 B13R2.449 FCOc1ccc2c(c1)CNC2 34a_100015195982_100015361967 [0,1,0,1,0,0|1,0,1]=4 7205 B13R2.449 FCOc1ccc2c(c1)NCC2 34a_100020636427_100015361967 [0,1,0,1,0,0|1,0,1]=4 7206 B13R2.449 FCOc1ccc2cc[nH]c2c1 34a_100000036713_100015361967 [0,1,0,1,0,0|1,0,1]=4 7207 B13R2.449 FCOc1ccc2ccoc2c1 34a_100000089557_100015361967 [0,1,0,1,0,0|1,0,1]=4 7208 B13R2.449 FCOc1ccc2ccoc2c1 7a_100000089557_100015361967 [0,1,0,1,0,0|1,0,1]=4 7209 B13R2.449 FCOc1ccc2ncsc2c1 34a_100011995850_100015361967 [0,1,0,1,0,0|2,0,0]=4 7210 B13R2.449 FCOc1ccc2ncsc2c1 7a_100011995850_100015361967 [0,1,0,1,0,0|2,0,0]=4 7211 B13R2.449 FCOc1ccc2occc2c1 34a_100000070125_100015361967 [0,1,0,1,0,0|1,0,0]=3 7212 B13R2.449 FCOc1ccc2occc2c1 7a_100000070125_100015361967 [0,1,0,1,0,0|1,0,0]=3 7213 B13R2.449 FCOc1ccc2sccc2c1 34a_100012180905_100015361967 [0,1,0,1,0,0|1,0,0]=3 7214 B13R2.449 FCOc1ccc2sccc2c1 7a_100012180905_100015361967 [0,1,0,1,0,0|1,0,0]=3 7215 B13R2.449 FCOc1ccc2scnc2c1 34a_200009850626_100015361967 [0,1,0,1,0,0|2,0,0]=4 7216 B13R2.449 FCOc1ccc2scnc2c1 7a_200009850626_100015361967 [0,1,0,1,0,0|2,0,0]=4 7217 B13R2.449 FCOc1cnc2[nH]ccc2c1 34a_100000087691_100015361967 [0,1,0,1,0,0|2,0,0]=4 7218 B13R2.449 FCSc1ccc2[nH]ccc2c1 62a_100015361967_100000035808 [0,1,0,1,0,0|1,1,0]=4 7219 B13R2.449 FCSc1ccc2c(c1)C=CC2 62a_100009814306_100015361967 [0,1,0,1,0,0|0,1,0]=3 7220 B13R2.449 FCSc1ccc2c(c1)C=CC2 62a_100015361967_100009814306 [0,1,0,1,0,0|0,1,0]=3 7221 B13R2.449 FCSc1ccc2occc2c1 62a_100015361967_100000691453 [0,1,0,1,0,0|1,1,0]=4 7222 B13R2.449 FCSc1ccc2sccc2c1 62a_100015361967_100009814439 [0,1,0,1,0,0|1,1,0]=4 7223 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,1,0,1,0,0|1,0,1]=4 7224 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,1,0,1,0,0|1,0,1]=4 7225 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,1,0,1,0,0|1,0,1]=4 7226 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,1,0,1,0,0|1,0,1]=4 7227 B13R2.449 [13CH3]NCc1ccc2occc2c1 2230a_100020591328_200025704644 [0,1,0,1,0,0|2,0,0]=4 7228 B13R2.449 [13CH3]NCc1ccc2occc2c1 34a_100020591328_200025704644 [0,1,0,1,0,0|2,0,0]=4 7229 B13R2.449 [13CH3]NCc1ccc2sccc2c1 2230a_100000732457_200025704644 [0,1,0,1,0,0|2,0,0]=4 7230 B13R2.449 [13CH3]NCc1ccc2sccc2c1 34a_100000732457_200025704644 [0,1,0,1,0,0|2,0,0]=4 7231 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 34a_200000765175_200025704644 [0,1,0,1,0,0|0,0,2]=4 7232 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 7a_200000765175_200025704644 [0,1,0,1,0,0|0,0,2]=4 7233 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,1,0,1,0,0|1,0,1]=4 7234 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,1,0,1,0,0|1,0,1]=4 7235 B13R2.449 [13CH3]OCc1ccc2c(c1)NCC2 34a_100000694088_200025704644 [0,1,0,1,0,0|1,0,1]=4 7236 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,1,0,0|1,0,1]=4 7237 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 34a_200009859634_200025704644 [0,1,0,1,0,0|1,0,1]=4 7238 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 7a_200009859634_200025704644 [0,1,0,1,0,0|1,0,1]=4 7239 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 34a_100010262773_200025704644 [0,1,0,1,0,0|1,0,1]=4 7240 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 7a_100010262773_200025704644 [0,1,0,1,0,0|1,0,1]=4 7241 B13R2.449 [13CH3]OCc1ccc2occc2c1 34a_100000067418_200025704644 [0,1,0,1,0,0|1,0,0]=3 7242 B13R2.449 [13CH3]OCc1ccc2occc2c1 7a_100000067418_200025704644 [0,1,0,1,0,0|1,0,0]=3 7243 B13R2.449 [13CH3]OCc1ccc2sccc2c1 34a_100000068000_200025704644 [0,1,0,1,0,0|1,0,0]=3 7244 B13R2.449 [13CH3]OCc1ccc2sccc2c1 7a_100000068000_200025704644 [0,1,0,1,0,0|1,0,0]=3 7245 B13R2.449 [13CH3]OCc1ccc2scnc2c1 34a_100009883289_200025704644 [0,1,0,1,0,0|2,0,0]=4 7246 B13R2.84 COc1ccc2[nH]ccc2c1O 271570a_203496583355_100010169049 [0,1,0,1,0,0|1,0,0]=3 7247 B13R2.84 COc1ccc2[nH]ncc2c1Cl 7a_100009844731_200000210301 [0,1,0,1,0,0|2,0,0]=4 7248 B13R2.84 COc1ccc2[nH]ncc2c1O 271570a_203496583355_100010125576 [0,1,0,1,0,0|2,0,0]=4 7249 B13R2.84 COc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097410 [0,1,0,1,0,0|2,0,0]=4 7250 B13R2.84 CSc1ccc2[nH]ccc2c1C 62a_200000210301_100010731972 [0,1,0,1,0,0|1,1,0]=4 7251 B13R2.84 CSc1ccc2[nH]ccc2c1F 62a_100000700836_200000210301 [0,1,0,1,0,0|1,1,0]=4 7252 B13R2.84 CSc1ccc2[nH]ccc2c1F 62a_200000210301_100000700836 [0,1,0,1,0,0|1,1,0]=4 7253 B13R2.84 Cc1c(ccc2c1cc[nH]2)S[13CH3] 62a_200025704644_100010731972 [0,1,0,1,0,0|1,1,0]=4 7254 B13R2.84 [13CH3]Oc1ccc2[nH]ncc2c1Cl 7a_100009844731_200025704644 [0,1,0,1,0,0|2,0,0]=4 7255 B13R2.84 [13CH3]Sc1ccc2[nH]ccc2c1F 62a_100000700836_200025704644 [0,1,0,1,0,0|1,1,0]=4 7256 B13R2.84 [13CH3]Sc1ccc2[nH]ccc2c1F 62a_200025704644_100000700836 [0,1,0,1,0,0|1,1,0]=4 7257 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,1,0,1,0,0|1,0,1]=4 7258 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,1,0,1,0,0|2,0,0]=4 7259 B13R2.599 COc1cc2c(cc1Br)CCC2 34a_200010659162_200000210301 [0,1,0,1,0,0|0,0,2]=4 7260 B13R2.599 COc1cc2c(cc1Br)CCC2 7a_200010659162_200000210301 [0,1,0,1,0,0|0,0,2]=4 7261 B13R2.599 COc1cc2c(cc1F)CCC2 34a_200000146645_200000210301 [0,1,0,1,0,0|0,0,2]=4 7262 B13R2.599 COc1cc2c(cc1F)CCC2 7a_200000146645_200000210301 [0,1,0,1,0,0|0,0,2]=4 7263 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,1,0,1,0,0|1,0,0]=3 7264 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,1,0,1,0,0|2,0,0]=4 7265 B13R2.599 CSc1cc2cc[nH]c2cc1C 62a_200000210301_100010199648 [0,1,0,1,0,0|1,1,0]=4 7266 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_100000731065_200000210301 [0,1,0,1,0,0|1,1,0]=4 7267 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_200000210301_100000731065 [0,1,0,1,0,0|1,1,0]=4 7268 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_100010212544_200000210301 [0,1,0,1,0,0|1,1,0]=4 7269 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_200000210301_100010212544 [0,1,0,1,0,0|1,1,0]=4 7270 B13R2.599 Cc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010199648 [0,1,0,1,0,0|1,1,0]=4 7271 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 34a_200010659162_200025704644 [0,1,0,1,0,0|0,0,2]=4 7272 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 7a_200010659162_200025704644 [0,1,0,1,0,0|0,0,2]=4 7273 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 34a_200000146645_200025704644 [0,1,0,1,0,0|0,0,2]=4 7274 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 7a_200000146645_200025704644 [0,1,0,1,0,0|0,0,2]=4 7275 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_100000731065_200025704644 [0,1,0,1,0,0|1,1,0]=4 7276 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_200025704644_100000731065 [0,1,0,1,0,0|1,1,0]=4 7277 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_100010212544_200025704644 [0,1,0,1,0,0|1,1,0]=4 7278 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_200025704644_100010212544 [0,1,0,1,0,0|1,1,0]=4 7279 B13R2.2396 COc1ccc(cc1Br)C2CC2 271570a_100011220607_100011249507 [0,1,0,1,0,0|0,0,2]=4 7280 B13R2.2396 COc1ccc(cc1Br)C2CC2 34a_100135415898_200000210301 [0,1,0,1,0,0|0,0,2]=4 7281 B13R2.2396 COc1ccc(cc1Br)C2CC2 7a_100135415898_200000210301 [0,1,0,1,0,0|0,0,2]=4 7282 B13R2.2396 COc1ccc(cc1C)C2CC2 271570a_100011220607_100011219705 [0,1,0,1,0,0|0,0,2]=4 7283 B13R2.2396 COc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012355395 [0,1,0,1,0,0|0,0,2]=4 7284 B13R2.2396 COc1ccc(cc1F)C2CC2 271570a_100011220607_100000185480 [0,1,0,1,0,0|0,0,2]=4 7285 B13R2.2396 COc1ccc(cc1F)C2CC2 34a_100013172525_200000210301 [0,1,0,1,0,0|0,0,2]=4 7286 B13R2.2396 COc1ccc(cc1F)C2CC2 7a_100013172525_200000210301 [0,1,0,1,0,0|0,0,2]=4 7287 B13R2.2396 COc1ccc(cc1N)C2CC2 271570a_100011220607_100000743470 [0,1,0,1,0,0|0,0,2]=4 7288 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [0,1,0,1,0,0|0,0,2]=4 7289 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 34a_100135415898_200025704644 [0,1,0,1,0,0|0,0,2]=4 7290 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 7a_100135415898_200025704644 [0,1,0,1,0,0|0,0,2]=4 7291 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 34a_100013172525_200025704644 [0,1,0,1,0,0|0,0,2]=4 7292 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 7a_100013172525_200025704644 [0,1,0,1,0,0|0,0,2]=4 7293 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [1,0,0,0,1,0|2,0,0]=4 7294 B9R1.21 C=Cc1cnc(s1)OC 271570a_100011290941_100000729428 [1,0,0,0,1,0|2,0,0]=4 7295 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [1,0,0,0,1,0|2,0,0]=4 7296 B9R1.21 C=Cc1csc(c1)SC 271570a_100011290941_200010256830 [1,0,0,0,1,0|1,1,0]=4 7297 B9R1.21 C=Cc1csc(n1)OC 271570a_100011290941_100000727839 [1,0,0,0,1,0|2,0,0]=4