0 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.83 C#Cc1ccc(cc1)CSC 62a_200000210301_100000140223 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.83 C#Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000140223 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.83 C#Cc1ccc(cc1)NCC 34a_100011215031_100000210202 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.83 C#Cc1ccc(cc1)NCF 34a_100011215031_100015361967 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.83 C#Cc1ccc(nc1)OCC 34a_200009884252_100000210202 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [0,0,0,0,0,0|0,1,2]=3 20 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [0,0,0,0,0,0|0,1,2]=3 21 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [0,0,0,0,0,0|0,1,2]=3 22 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [0,0,0,0,0,0|0,1,2]=3 23 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [0,0,0,0,0,0|1,0,3]=4 24 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [0,0,0,0,0,0|1,0,3]=4 25 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [0,0,0,0,0,0|0,0,3]=3 26 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [0,0,0,0,0,0|0,1,3]=4 27 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [0,0,0,0,0,0|1,0,3]=4 28 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [0,0,0,0,0,0|1,0,3]=4 29 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [0,0,0,0,0,0|0,0,2]=2 30 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [0,0,0,0,0,0|0,0,2]=2 31 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [0,0,0,0,0,0|0,0,2]=2 32 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [0,0,0,0,0,0|0,0,2]=2 33 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [0,0,0,0,0,0|1,1,2]=4 34 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [0,0,0,0,0,0|1,1,2]=4 35 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [0,0,0,0,0,0|1,1,2]=4 36 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [0,0,0,0,0,0|1,1,2]=4 37 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [0,0,0,0,0,0|1,0,3]=4 38 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [0,0,0,0,0,0|1,0,1]=2 41 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [0,0,0,0,0,0|2,0,1]=3 42 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [0,0,0,0,0,0|2,0,1]=3 49 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.83 C=Cc1ccc(cc1)CNN 271570a_100011290941_100016993955 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [0,0,0,0,0,0|2,0,1]=3 52 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [0,0,0,0,0,0|2,0,1]=3 54 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [0,0,0,0,0,0|2,0,1]=3 55 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [0,0,0,0,0,0|2,0,1]=3 60 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [0,0,0,0,0,0|2,0,1]=3 62 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [0,0,0,0,0,0|2,0,1]=3 63 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [0,0,0,0,0,0|2,0,1]=3 67 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [0,0,0,0,0,0|2,0,1]=3 68 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [0,0,0,0,0,0|2,0,1]=3 71 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [0,0,0,0,0,0|2,0,1]=3 72 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [0,0,0,0,0,0|2,0,1]=3 73 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.83 C=Cc1ccc(cn1)CCO 271570a_100011290941_100009880866 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.83 C=Cc1ccc(cn1)CNC 271570a_100011290941_100000026953 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.83 C=Cc1ccc(cn1)CSC 271570a_100011290941_100000753673 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.83 C=Cc1ccc(nc1)CCO 271570a_100011290941_100012357577 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.83 C=Cc1ccc(nc1)NCC 271570a_100011290941_100000741496 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.83 C=Cc1ccc(nc1)SCC 271570a_100011290941_100000690189 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.83 C=Cc1ccc(nc1)SCC 62a_100000210202_103436540071 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.83 C=Cc1ccc(nc1)SCC 62a_103436540071_100000210202 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.83 C=Cc1ncc(cn1)CCC 271570a_100011290941_100000039067 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [0,0,0,0,0,0|1,0,2]=3 89 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [0,0,0,0,0,0|2,0,2]=4 90 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [0,0,0,0,0,0|2,0,2]=4 92 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [0,0,0,0,0,0|1,0,2]=3 93 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [0,0,0,0,0,0|2,0,2]=4 94 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [0,0,0,0,0,0|0,0,2]=2 95 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [0,0,0,0,0,0|0,1,2]=3 96 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [0,0,0,0,0,0|2,0,2]=4 97 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [0,0,0,0,0,0|2,0,2]=4 98 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [0,0,0,0,0,0|1,0,2]=3 99 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [0,0,0,0,0,0|1,1,2]=4 100 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [0,0,0,0,0,0|2,0,2]=4 101 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [0,0,0,0,0,0|2,0,2]=4 102 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [0,0,0,0,0,0|1,0,2]=3 103 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [0,0,0,0,0,0|1,1,2]=4 104 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [0,0,0,0,0,0|2,0,2]=4 105 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [0,0,0,0,0,0|2,0,2]=4 106 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [0,0,0,0,0,0|2,0,2]=4 107 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [0,0,0,0,0,0|2,0,2]=4 108 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [0,0,0,0,0,0|1,0,0]=1 109 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [0,0,0,0,0,0|1,0,0]=1 110 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [0,0,0,0,0,0|1,0,0]=1 111 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [0,0,0,0,0,0|1,0,0]=1 112 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [0,0,0,0,0,0|0,0,0]=0 113 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [0,0,0,0,0,0|0,0,0]=0 114 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [0,0,0,0,0,0|0,0,0]=0 115 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [0,0,0,0,0,0|0,0,0]=0 116 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [0,0,0,0,0,0|0,1,0]=1 117 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [0,0,0,0,0,0|0,1,0]=1 118 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [0,0,0,0,0,0|0,1,0]=1 119 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [0,0,0,0,0,0|0,1,0]=1 120 B11R1.83 CCCc1cnc(nc1)NC 27a_100102657272_100000039067 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.83 CCCc1cnc(nc1)SC 62a_100000039067_200000210301 [0,0,0,0,0,0|2,1,0]=3 122 B11R1.83 CCCc1cnc(nc1)SC 62a_200000210301_100000039067 [0,0,0,0,0,0|2,1,0]=3 123 B11R1.83 CCCc1cnc(nc1)S[13CH3] 62a_100000039067_200025704644 [0,0,0,0,0,0|2,1,0]=3 124 B11R1.83 CCCc1cnc(nc1)S[13CH3] 62a_200025704644_100000039067 [0,0,0,0,0,0|2,1,0]=3 125 B11R1.83 CCNc1ccc(cc1)C#N 34a_100000185469_100000210202 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [0,0,0,0,0,0|2,0,0]=2 127 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [0,0,0,0,0,0|1,0,0]=1 131 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [0,0,0,0,0,0|1,0,0]=1 132 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [0,0,0,0,0,0|1,0,0]=1 133 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [0,0,0,0,0,0|1,0,0]=1 134 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [0,0,0,0,0,0|1,0,0]=1 135 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [0,0,0,0,0,0|1,1,0]=2 136 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [0,0,0,0,0,0|1,1,0]=2 137 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [0,0,0,0,0,0|1,1,0]=2 138 B11R1.83 CCNc1ccc(cn1)C#N 27a_100015525214_100000241038 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.83 CCNc1ccc(cn1)SC 27a_100015525214_100009820866 [0,0,0,0,0,0|2,1,0]=3 140 B11R1.83 CCNc1ccc(cn1)SC 62a_100000741496_200000210301 [0,0,0,0,0,0|2,1,0]=3 141 B11R1.83 CCNc1ccc(cn1)SC 62a_200000210301_100000741496 [0,0,0,0,0,0|2,1,0]=3 142 B11R1.83 CCNc1ccc(cn1)S[13CH3] 62a_100000741496_200025704644 [0,0,0,0,0,0|2,1,0]=3 143 B11R1.83 CCNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741496 [0,0,0,0,0,0|2,1,0]=3 144 B11R1.83 CCNc1ccc(nn1)OC 27a_100015525214_100010231723 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.83 CCNc1ccc(nn1)SC 62a_200000210301_100000215268 [0,0,0,0,0,0|3,1,0]=4 146 B11R1.83 CCNc1ccc(nn1)S[13CH3] 62a_200025704644_100000215268 [0,0,0,0,0,0|3,1,0]=4 147 B11R1.83 CCNc1cnc(cn1)SC 27a_100015525214_200012356277 [0,0,0,0,0,0|3,1,0]=4 148 B11R1.83 CCNc1ncc(cn1)CC 27a_100015525214_100000033099 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.83 CCNc1ncc(cn1)OC 27a_100015525214_100000069167 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.83 CCNc1ncc(cn1)SC 27a_100015525214_100000718988 [0,0,0,0,0,0|3,1,0]=4 151 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [0,0,0,0,0,0|2,0,0]=2 154 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [0,0,0,0,0,0|2,0,0]=2 158 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [0,0,0,0,0,0|2,0,0]=2 159 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [0,0,0,0,0,0|2,0,0]=2 160 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [0,0,0,0,0,0|2,0,0]=2 161 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [0,0,0,0,0,0|2,0,0]=2 162 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,0,0,0,0,0|1,0,0]=1 163 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,0,0,0,0,0|1,0,0]=1 164 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,0,0,0,0,0|1,0,0]=1 165 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [0,0,0,0,0,0|1,1,0]=2 166 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [0,0,0,0,0,0|1,1,0]=2 167 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [0,0,0,0,0,0|1,1,0]=2 168 B11R1.83 CCOc1ccc(cn1)CN 34a_100000757128_100000210202 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [0,0,0,0,0,0|2,0,0]=2 170 B11R1.83 CCOc1ccc(cn1)SC 62a_100011219444_200000210301 [0,0,0,0,0,0|2,1,0]=3 171 B11R1.83 CCOc1ccc(cn1)SC 62a_200000210301_100011219444 [0,0,0,0,0,0|2,1,0]=3 172 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_100011219444_200025704644 [0,0,0,0,0,0|2,1,0]=3 173 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011219444 [0,0,0,0,0,0|2,1,0]=3 174 B11R1.83 CCOc1ccc(nc1)C#N 34a_100011934750_100000210202 [0,0,0,0,0,0|4,0,0]=4 175 B11R1.83 CCOc1ccc(nc1)C#N 7a_100011934750_100000210202 [0,0,0,0,0,0|4,0,0]=4 176 B11R1.83 CCOc1ccc(nc1)CN 34a_100020605196_100000210202 [0,0,0,0,0,0|4,0,0]=4 177 B11R1.83 CCOc1ccc(nc1)CO 34a_103436540053_100000210202 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [0,0,0,0,0,0|2,0,0]=2 179 B11R1.83 CCOc1ccc(nc1)SC 62a_100012355646_200000210301 [0,0,0,0,0,0|2,1,0]=3 180 B11R1.83 CCOc1ccc(nc1)SC 62a_200000210301_100000753957 [0,0,0,0,0,0|2,1,0]=3 181 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_100012355646_200025704644 [0,0,0,0,0,0|2,1,0]=3 182 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000753957 [0,0,0,0,0,0|2,1,0]=3 183 B11R1.83 CCOc1ccc(nn1)NC 27a_100102657272_100000757289 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.83 CCOc1ccc(nn1)SC 62a_200000210301_100000757289 [0,0,0,0,0,0|3,1,0]=4 185 B11R1.83 CCOc1ccc(nn1)S[13CH3] 62a_200025704644_100000757289 [0,0,0,0,0,0|3,1,0]=4 186 B11R1.83 CCOc1cnc(cn1)SC 62a_200000210301_200012356188 [0,0,0,0,0,0|3,1,0]=4 187 B11R1.83 CCOc1cnc(cn1)SC 62a_200012356188_200000210301 [0,0,0,0,0,0|3,1,0]=4 188 B11R1.83 CCOc1cnc(cn1)S[13CH3] 62a_200012356188_200025704644 [0,0,0,0,0,0|3,1,0]=4 189 B11R1.83 CCOc1cnc(cn1)S[13CH3] 62a_200025704644_200012356188 [0,0,0,0,0,0|3,1,0]=4 190 B11R1.83 CCOc1cnc(nc1)NC 27a_100102657272_100000099823 [0,0,0,0,0,0|4,0,0]=4 191 B11R1.83 CCOc1cnc(nc1)OC 34a_100000099601_100000210202 [0,0,0,0,0,0|3,0,0]=3 192 B11R1.83 CCOc1cnc(nc1)OC 7a_100000099601_100000210202 [0,0,0,0,0,0|3,0,0]=3 193 B11R1.83 CCOc1cnc(nc1)SC 34a_100000075549_100000210202 [0,0,0,0,0,0|3,1,0]=4 194 B11R1.83 CCOc1cnc(nc1)SC 62a_100000099823_200000210301 [0,0,0,0,0,0|3,1,0]=4 195 B11R1.83 CCOc1cnc(nc1)SC 62a_200000210301_100000099823 [0,0,0,0,0,0|3,1,0]=4 196 B11R1.83 CCOc1cnc(nc1)SC 7a_100000075549_100000210202 [0,0,0,0,0,0|3,1,0]=4 197 B11R1.83 CCOc1cnc(nc1)S[13CH3] 62a_100000099823_200025704644 [0,0,0,0,0,0|3,1,0]=4 198 B11R1.83 CCOc1cnc(nc1)S[13CH3] 62a_200025704644_100000099823 [0,0,0,0,0,0|3,1,0]=4 199 B11R1.83 CCOc1ncc(cn1)SC 62a_100011934766_200000210301 [0,0,0,0,0,0|3,1,0]=4 200 B11R1.83 CCOc1ncc(cn1)SC 62a_200000210301_100011934766 [0,0,0,0,0,0|3,1,0]=4 201 B11R1.83 CCOc1ncc(cn1)S[13CH3] 62a_100011934766_200025704644 [0,0,0,0,0,0|3,1,0]=4 202 B11R1.83 CCOc1ncc(cn1)S[13CH3] 62a_200025704644_100011934766 [0,0,0,0,0,0|3,1,0]=4 203 B11R1.83 CCSc1ccc(cc1)C#N 62a_100000210202_100000184291 [0,0,0,0,0,0|3,0,0]=3 204 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [0,0,0,0,0,0|3,0,0]=3 205 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [0,0,0,0,0,0|3,0,0]=3 206 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [0,0,0,0,0,0|2,0,0]=2 207 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [0,0,0,0,0,0|2,0,0]=2 208 B11R1.83 CCSc1ccc(cc1)CF 62a_100000210202_100010268989 [0,0,0,0,0,0|3,0,0]=3 209 B11R1.83 CCSc1ccc(cc1)CF 62a_100010268989_100000210202 [0,0,0,0,0,0|3,0,0]=3 210 B11R1.83 CCSc1ccc(cc1)CN 62a_100000210202_100016989417 [0,0,0,0,0,0|3,0,0]=3 211 B11R1.83 CCSc1ccc(cc1)CN 62a_100016989417_100000210202 [0,0,0,0,0,0|3,0,0]=3 212 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [0,0,0,0,0,0|3,0,0]=3 213 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [0,0,0,0,0,0|3,0,0]=3 214 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [0,0,0,0,0,0|2,0,0]=2 215 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [0,0,0,0,0,0|2,0,0]=2 216 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [0,0,0,0,0,0|2,0,0]=2 217 B11R1.83 CCSc1ccc(cc1)NN 62a_100000210202_100016988836 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.83 CCSc1ccc(cc1)NN 62a_100016988836_100000210202 [0,0,0,0,0,0|3,0,0]=3 219 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [0,0,0,0,0,0|2,0,0]=2 220 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [0,0,0,0,0,0|1,0,0]=1 221 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [0,0,0,0,0,0|1,1,0]=2 222 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [0,0,0,0,0,0|1,1,0]=2 223 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [0,0,0,0,0,0|1,1,0]=2 224 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [0,0,0,0,0,0|1,1,0]=2 225 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [0,0,0,0,0,0|1,1,0]=2 226 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [0,0,0,0,0,0|1,1,0]=2 227 B11R1.83 CCSc1ccc(cn1)C#N 62a_100000210202_100000241038 [0,0,0,0,0,0|4,0,0]=4 228 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.83 CCSc1ccc(cn1)CC 62a_100000210202_100009843584 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.83 CCSc1ccc(cn1)CC 62a_100009843584_100000210202 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.83 CCSc1ccc(cn1)CN 62a_100000210202_100000735879 [0,0,0,0,0,0|4,0,0]=4 233 B11R1.83 CCSc1ccc(cn1)CN 62a_100000735879_100000210202 [0,0,0,0,0,0|4,0,0]=4 234 B11R1.83 CCSc1ccc(cn1)CO 62a_100000210202_100009816760 [0,0,0,0,0,0|4,0,0]=4 235 B11R1.83 CCSc1ccc(cn1)CO 62a_100009816760_100000210202 [0,0,0,0,0,0|4,0,0]=4 236 B11R1.83 CCSc1ccc(cn1)NC 62a_100000210202_100000764248 [0,0,0,0,0,0|3,0,0]=3 237 B11R1.83 CCSc1ccc(cn1)NC 62a_100000764248_100000210202 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.83 CCSc1ccc(cn1)NN 62a_100000210202_100000119030 [0,0,0,0,0,0|4,0,0]=4 239 B11R1.83 CCSc1ccc(cn1)NN 62a_100000755011_100000210202 [0,0,0,0,0,0|4,0,0]=4 240 B11R1.83 CCSc1ccc(cn1)OC 62a_100000210202_100000744180 [0,0,0,0,0,0|2,0,0]=2 241 B11R1.83 CCSc1ccc(cn1)OC 62a_100000755202_100000210202 [0,0,0,0,0,0|2,0,0]=2 242 B11R1.83 CCSc1ccc(cn1)SC 62a_100000210202_100009820866 [0,0,0,0,0,0|2,1,0]=3 243 B11R1.83 CCSc1ccc(cn1)SC 62a_100000690189_200000210301 [0,0,0,0,0,0|2,1,0]=3 244 B11R1.83 CCSc1ccc(cn1)SC 62a_100009820866_100000210202 [0,0,0,0,0,0|2,1,0]=3 245 B11R1.83 CCSc1ccc(cn1)SC 62a_200000210301_100000690189 [0,0,0,0,0,0|2,1,0]=3 246 B11R1.83 CCSc1ccc(cn1)S[13CH3] 62a_100000690189_200025704644 [0,0,0,0,0,0|2,1,0]=3 247 B11R1.83 CCSc1ccc(cn1)S[13CH3] 62a_200025704644_100000690189 [0,0,0,0,0,0|2,1,0]=3 248 B11R1.83 CCSc1ccc(nc1)C#N 62a_100000210202_100000760455 [0,0,0,0,0,0|4,0,0]=4 249 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [0,0,0,0,0,0|4,0,0]=4 250 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [0,0,0,0,0,0|4,0,0]=4 251 B11R1.83 CCSc1ccc(nc1)CC 62a_100000210202_100009820025 [0,0,0,0,0,0|3,0,0]=3 252 B11R1.83 CCSc1ccc(nc1)CC 62a_100009820025_100000210202 [0,0,0,0,0,0|3,0,0]=3 253 B11R1.83 CCSc1ccc(nc1)CN 62a_100000210202_100015188789 [0,0,0,0,0,0|4,0,0]=4 254 B11R1.83 CCSc1ccc(nc1)CN 62a_100015188789_100000210202 [0,0,0,0,0,0|4,0,0]=4 255 B11R1.83 CCSc1ccc(nc1)CO 62a_100000210202_100000754261 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.83 CCSc1ccc(nc1)CO 62a_100000754261_100000210202 [0,0,0,0,0,0|4,0,0]=4 257 B11R1.83 CCSc1ccc(nc1)NC 62a_100000210202_100000741341 [0,0,0,0,0,0|3,0,0]=3 258 B11R1.83 CCSc1ccc(nc1)NC 62a_100000741341_100000210202 [0,0,0,0,0,0|3,0,0]=3 259 B11R1.83 CCSc1ccc(nc1)NN 62a_100000210202_100000750576 [0,0,0,0,0,0|4,0,0]=4 260 B11R1.83 CCSc1ccc(nc1)NN 62a_100000750576_100000210202 [0,0,0,0,0,0|4,0,0]=4 261 B11R1.83 CCSc1ccc(nc1)OC 62a_100000047065_100000210202 [0,0,0,0,0,0|2,0,0]=2 262 B11R1.83 CCSc1ccc(nc1)OC 62a_100000210202_100000047065 [0,0,0,0,0,0|2,0,0]=2 263 B11R1.83 CCSc1ccc(nc1)SC 62a_100000210202_100011408404 [0,0,0,0,0,0|2,1,0]=3 264 B11R1.83 CCSc1ccc(nc1)SC 62a_100011408404_100000210202 [0,0,0,0,0,0|2,1,0]=3 265 B11R1.83 CCSc1ccc(nn1)NC 62a_100000210202_100000215272 [0,0,0,0,0,0|4,0,0]=4 266 B11R1.83 CCSc1ccc(nn1)NC 62a_100000215272_100000210202 [0,0,0,0,0,0|4,0,0]=4 267 B11R1.83 CCSc1ccc(nn1)OC 62a_100000210202_100009819040 [0,0,0,0,0,0|3,0,0]=3 268 B11R1.83 CCSc1ccc(nn1)OC 62a_100009819040_100000210202 [0,0,0,0,0,0|3,0,0]=3 269 B11R1.83 CCSc1cnc(cn1)NC 62a_100000210202_100012000640 [0,0,0,0,0,0|4,0,0]=4 270 B11R1.83 CCSc1cnc(cn1)NC 62a_100012000640_100000210202 [0,0,0,0,0,0|4,0,0]=4 271 B11R1.83 CCSc1cnc(cn1)OC 62a_100000210202_100011998698 [0,0,0,0,0,0|3,0,0]=3 272 B11R1.83 CCSc1cnc(cn1)OC 62a_100011998698_100000210202 [0,0,0,0,0,0|3,0,0]=3 273 B11R1.83 CCSc1cnc(cn1)SC 62a_100000210202_200012356277 [0,0,0,0,0,0|3,1,0]=4 274 B11R1.83 CCSc1cnc(cn1)SC 62a_200012356277_100000210202 [0,0,0,0,0,0|3,1,0]=4 275 B11R1.83 CCSc1cnc(nc1)NC 62a_100000210202_100000697329 [0,0,0,0,0,0|4,0,0]=4 276 B11R1.83 CCSc1cnc(nc1)NC 62a_100000697329_100000210202 [0,0,0,0,0,0|4,0,0]=4 277 B11R1.83 CCSc1cnc(nc1)OC 62a_100000210202_100000686852 [0,0,0,0,0,0|3,0,0]=3 278 B11R1.83 CCSc1cnc(nc1)OC 62a_100000686852_100000210202 [0,0,0,0,0,0|3,0,0]=3 279 B11R1.83 CCSc1cnc(nc1)SC 62a_100000210202_100000722549 [0,0,0,0,0,0|3,1,0]=4 280 B11R1.83 CCSc1cnc(nc1)SC 62a_100000722549_100000210202 [0,0,0,0,0,0|3,1,0]=4 281 B11R1.83 CCSc1ncc(cn1)CC 62a_100000033099_100000210202 [0,0,0,0,0,0|4,0,0]=4 282 B11R1.83 CCSc1ncc(cn1)CC 62a_100000210202_100000033099 [0,0,0,0,0,0|4,0,0]=4 283 B11R1.83 CCSc1ncc(cn1)OC 62a_100000069167_100000210202 [0,0,0,0,0,0|3,0,0]=3 284 B11R1.83 CCSc1ncc(cn1)OC 62a_100000210202_100000069167 [0,0,0,0,0,0|3,0,0]=3 285 B11R1.83 CCSc1ncc(cn1)SC 62a_100000210202_100000718988 [0,0,0,0,0,0|3,1,0]=4 286 B11R1.83 CCSc1ncc(cn1)SC 62a_100000718988_100000210202 [0,0,0,0,0,0|3,1,0]=4 287 B11R1.83 CCSc1ncc(cn1)SC 62a_200000210301_200011939514 [0,0,0,0,0,0|3,1,0]=4 288 B11R1.83 CCSc1ncc(cn1)SC 62a_200011939514_200000210301 [0,0,0,0,0,0|3,1,0]=4 289 B11R1.83 CCSc1ncc(cn1)S[13CH3] 62a_200011939514_200025704644 [0,0,0,0,0,0|3,1,0]=4 290 B11R1.83 CCSc1ncc(cn1)S[13CH3] 62a_200025704644_200011939514 [0,0,0,0,0,0|3,1,0]=4 291 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [0,0,0,0,0,0|2,0,0]=2 292 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [0,0,0,0,0,0|2,0,0]=2 293 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [0,0,0,0,0,0|2,0,0]=2 294 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [0,0,0,0,0,0|2,0,0]=2 295 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [0,0,0,0,0,0|2,0,0]=2 296 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [0,0,0,0,0,0|2,0,0]=2 297 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [0,0,0,0,0,0|2,0,0]=2 298 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [0,0,0,0,0,0|2,0,0]=2 299 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [0,0,0,0,0,0|2,0,0]=2 300 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [0,0,0,0,0,0|2,0,0]=2 301 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [0,0,0,0,0,0|2,0,0]=2 302 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [0,0,0,0,0,0|2,0,0]=2 303 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [0,0,0,0,0,0|2,0,0]=2 304 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [0,0,0,0,0,0|2,0,0]=2 305 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [0,0,0,0,0,0|2,0,0]=2 306 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [0,0,0,0,0,0|2,0,0]=2 307 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [0,0,0,0,0,0|2,0,0]=2 308 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [0,0,0,0,0,0|2,0,0]=2 309 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [0,0,0,0,0,0|2,0,0]=2 310 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [0,0,0,0,0,0|3,0,0]=3 311 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [0,0,0,0,0,0|3,0,0]=3 312 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [0,0,0,0,0,0|3,0,0]=3 313 B11R1.83 CCc1ccc(cc1)SCF 62a_100011215824_100015361967 [0,0,0,0,0,0|3,0,0]=3 314 B11R1.83 CCc1ccc(cc1)SCF 62a_100015361967_100011215824 [0,0,0,0,0,0|3,0,0]=3 315 B11R1.83 CCc1ccc(cn1)SCF 62a_100009820025_100015361967 [0,0,0,0,0,0|4,0,0]=4 316 B11R1.83 CCc1ccc(cn1)SCF 62a_100015361967_100009820025 [0,0,0,0,0,0|4,0,0]=4 317 B11R1.83 CCc1ccc(nc1)CNC 207a_100102657272_100000069529 [0,0,0,0,0,0|3,0,0]=3 318 B11R1.83 CCc1ccc(nc1)CNC 2230a_100000069493_200000210301 [0,0,0,0,0,0|3,0,0]=3 319 B11R1.83 CCc1ccc(nc1)CNC 270004a_106832991635_100000069529 [0,0,0,0,0,0|3,0,0]=3 320 B11R1.83 CCc1ccc(nc1)CNC 34a_100000069493_200000210301 [0,0,0,0,0,0|3,0,0]=3 321 B11R1.83 CCc1ccc(nc1)CN[13CH3] 2230a_100000069493_200025704644 [0,0,0,0,0,0|3,0,0]=3 322 B11R1.83 CCc1ccc(nc1)CN[13CH3] 34a_100000069493_200025704644 [0,0,0,0,0,0|3,0,0]=3 323 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [0,0,0,0,0,0|3,0,0]=3 324 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [0,0,0,0,0,0|3,0,0]=3 325 B11R1.83 CCc1ccc(nc1)SCF 62a_100009843584_100015361967 [0,0,0,0,0,0|4,0,0]=4 326 B11R1.83 CCc1ccc(nc1)SCF 62a_100015361967_100009843584 [0,0,0,0,0,0|4,0,0]=4 327 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [0,0,0,0,0,0|3,0,0]=3 328 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [0,0,0,0,0,0|3,0,0]=3 329 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [0,0,0,0,0,0|3,0,0]=3 330 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [0,0,0,0,0,0|3,0,0]=3 331 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [0,0,0,0,0,0|3,0,0]=3 332 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [0,0,0,0,0,0|3,0,0]=3 333 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [0,0,0,0,0,0|3,0,0]=3 334 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [0,0,0,0,0,0|3,0,0]=3 335 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [0,0,0,0,0,0|3,0,0]=3 336 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [0,0,0,0,0,0|3,0,0]=3 337 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [0,0,0,0,0,0|3,0,0]=3 338 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [0,0,0,0,0,0|3,0,0]=3 339 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [0,0,0,0,0,0|3,0,0]=3 340 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [0,0,0,0,0,0|3,0,0]=3 341 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [0,0,0,0,0,0|3,0,0]=3 342 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [0,0,0,0,0,0|3,0,0]=3 343 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [0,0,0,0,0,0|3,0,0]=3 344 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [0,0,0,0,0,0|3,0,0]=3 345 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [0,0,0,0,0,0|1,0,0]=1 346 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [0,0,0,0,0,0|1,0,0]=1 347 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [0,0,0,0,0,0|1,0,0]=1 348 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [0,0,0,0,0,0|1,0,0]=1 349 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [0,0,0,0,0,0|1,0,0]=1 350 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [0,0,0,0,0,0|1,0,0]=1 351 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [0,0,0,0,0,0|1,0,0]=1 352 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [0,0,0,0,0,0|1,0,0]=1 353 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [0,0,0,0,0,0|1,0,0]=1 354 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [0,0,0,0,0,0|1,1,0]=2 355 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [0,0,0,0,0,0|1,1,0]=2 356 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [0,0,0,0,0,0|1,1,0]=2 357 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [0,0,0,0,0,0|1,1,0]=2 358 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [0,0,0,0,0,0|1,1,0]=2 359 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [0,0,0,0,0,0|1,1,0]=2 360 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [0,0,0,0,0,0|1,1,0]=2 361 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [0,0,0,0,0,0|1,1,0]=2 362 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [0,0,0,0,0,0|1,1,0]=2 363 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [0,0,0,0,0,0|1,1,0]=2 364 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [0,0,0,0,0,0|1,1,0]=2 365 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [0,0,0,0,0,0|1,1,0]=2 366 B11R1.83 CNCc1ccc(cn1)C#N 2230a_106832991635_100000693164 [0,0,0,0,0,0|4,0,0]=4 367 B11R1.83 CNCc1ccc(cn1)C#N 270004a_106832991635_100009884217 [0,0,0,0,0,0|4,0,0]=4 368 B11R1.83 CNCc1ccc(cn1)C#N 34a_100102657272_100000693164 [0,0,0,0,0,0|4,0,0]=4 369 B11R1.83 CNCc1ccc(cn1)C#N 7a_106832991635_100000693164 [0,0,0,0,0,0|4,0,0]=4 370 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [0,0,0,0,0,0|2,0,0]=2 371 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [0,0,0,0,0,0|2,0,0]=2 372 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [0,0,0,0,0,0|2,0,0]=2 373 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [0,0,0,0,0,0|2,0,0]=2 374 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [0,0,0,0,0,0|2,0,0]=2 375 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [0,0,0,0,0,0|2,0,0]=2 376 B11R1.83 CNCc1ccc(nc1)C#N 2230a_106832991635_100009816919 [0,0,0,0,0,0|4,0,0]=4 377 B11R1.83 CNCc1ccc(nc1)C#N 270004a_106832991635_100000064383 [0,0,0,0,0,0|4,0,0]=4 378 B11R1.83 CNCc1ccc(nc1)C#N 34a_100102657272_100009816919 [0,0,0,0,0,0|4,0,0]=4 379 B11R1.83 CNCc1ccc(nc1)C#N 7a_106832991635_100009816919 [0,0,0,0,0,0|4,0,0]=4 380 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [0,0,0,0,0,0|2,0,0]=2 381 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [0,0,0,0,0,0|2,0,0]=2 382 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [0,0,0,0,0,0|2,0,0]=2 383 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [0,0,0,0,0,0|2,0,0]=2 384 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [0,0,0,0,0,0|2,0,0]=2 385 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [0,0,0,0,0,0|2,0,0]=2 386 B11R1.83 CNCc1ccc(nc1)SC 62a_100000026953_200000210301 [0,0,0,0,0,0|2,1,0]=3 387 B11R1.83 CNCc1ccc(nc1)SC 62a_200000210301_100000026953 [0,0,0,0,0,0|2,1,0]=3 388 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_100000026953_200025704644 [0,0,0,0,0,0|2,1,0]=3 389 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_200025704644_100000026953 [0,0,0,0,0,0|2,1,0]=3 390 B11R1.83 CNCc1cnc(cn1)OC 207a_100102657272_100000099869 [0,0,0,0,0,0|3,0,0]=3 391 B11R1.83 CNCc1cnc(cn1)OC 270004a_106832991635_100000099869 [0,0,0,0,0,0|3,0,0]=3 392 B11R1.83 CNCc1cnc(nc1)OC 270004a_106832991635_100011202752 [0,0,0,0,0,0|3,0,0]=3 393 B11R1.83 CNCc1cnc(nc1)SC 270004a_106832991635_100011202772 [0,0,0,0,0,0|3,1,0]=4 394 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [0,0,0,0,0,0|2,0,1]=3 395 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [0,0,0,0,0,0|2,0,0]=2 396 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [0,0,0,0,0,0|2,0,0]=2 397 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [0,0,0,0,0,0|2,0,0]=2 398 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [0,0,0,0,0,0|2,0,0]=2 399 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [0,0,0,0,0,0|2,0,0]=2 400 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [0,0,0,0,0,0|2,0,0]=2 401 B11R1.83 CNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200000210301 [0,0,0,0,0,0|4,0,0]=4 402 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [0,0,0,0,0,0|3,0,0]=3 403 B11R1.83 CNc1ccc(cc1)SCF 62a_100000743151_100015361967 [0,0,0,0,0,0|3,0,0]=3 404 B11R1.83 CNc1ccc(cc1)SCF 62a_100015361967_100000743151 [0,0,0,0,0,0|3,0,0]=3 405 B11R1.83 CNc1ccc(cn1)SCF 62a_100000741341_100015361967 [0,0,0,0,0,0|4,0,0]=4 406 B11R1.83 CNc1ccc(cn1)SCF 62a_100015361967_100000741341 [0,0,0,0,0,0|4,0,0]=4 407 B11R1.83 CNc1ccc(nc1)SCF 62a_100000764248_100015361967 [0,0,0,0,0,0|4,0,0]=4 408 B11R1.83 CNc1ccc(nc1)SCF 62a_100015361967_100000764248 [0,0,0,0,0,0|4,0,0]=4 409 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [0,0,0,0,0,0|3,0,0]=3 410 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [0,0,0,0,0,0|3,0,0]=3 411 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [0,0,0,0,0,0|3,0,0]=3 412 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,0,0,0,0,0|3,0,0]=3 413 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [0,0,0,0,0,0|3,0,0]=3 414 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [0,0,0,0,0,0|3,0,0]=3 415 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [0,0,0,0,0,0|3,0,0]=3 416 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [0,0,0,0,0,0|3,0,0]=3 417 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [0,0,0,0,0,0|3,0,0]=3 418 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [0,0,0,0,0,0|3,0,0]=3 419 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [0,0,0,0,0,0|2,0,0]=2 420 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [0,0,0,0,0,0|1,0,0]=1 421 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [0,0,0,0,0,0|1,0,0]=1 422 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [0,0,0,0,0,0|1,0,0]=1 423 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [0,0,0,0,0,0|1,0,0]=1 424 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [0,0,0,0,0,0|1,0,0]=1 425 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [0,0,0,0,0,0|1,0,0]=1 426 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [0,0,0,0,0,0|1,1,0]=2 427 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [0,0,0,0,0,0|1,1,0]=2 428 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [0,0,0,0,0,0|1,1,0]=2 429 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [0,0,0,0,0,0|1,1,0]=2 430 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [0,0,0,0,0,0|1,1,0]=2 431 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [0,0,0,0,0,0|1,1,0]=2 432 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [0,0,0,0,0,0|1,1,0]=2 433 B11R1.83 COCc1ccc(cn1)C#N 34a_100000101912_200000210301 [0,0,0,0,0,0|4,0,0]=4 434 B11R1.83 COCc1ccc(cn1)C#N 34a_100138415774_100000693164 [0,0,0,0,0,0|4,0,0]=4 435 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [0,0,0,0,0,0|2,0,0]=2 436 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [0,0,0,0,0,0|2,0,0]=2 437 B11R1.83 COCc1ccc(nc1)C#N 34a_100000090650_200000210301 [0,0,0,0,0,0|4,0,0]=4 438 B11R1.83 COCc1ccc(nc1)C#N 34a_100138415774_100009816919 [0,0,0,0,0,0|4,0,0]=4 439 B11R1.83 COCc1ccc(nc1)C#N 7a_100000090650_200000210301 [0,0,0,0,0,0|4,0,0]=4 440 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [0,0,0,0,0,0|2,0,0]=2 441 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [0,0,0,0,0,0|2,0,0]=2 442 B11R1.83 COCc1cnc(nc1)SC 7a_100012002198_200000210301 [0,0,0,0,0,0|3,1,0]=4 443 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [0,0,0,0,0,0|1,0,1]=2 444 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [0,0,0,0,0,0|1,0,1]=2 445 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [0,0,0,0,0,0|1,0,0]=1 446 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [0,0,0,0,0,0|1,0,0]=1 447 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [0,0,0,0,0,0|1,0,0]=1 448 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [0,0,0,0,0,0|1,0,0]=1 449 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [0,0,0,0,0,0|1,0,0]=1 450 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [0,0,0,0,0,0|1,0,0]=1 451 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [0,0,0,0,0,0|1,0,0]=1 452 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [0,0,0,0,0,0|1,0,0]=1 453 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [0,0,0,0,0,0|1,0,0]=1 454 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [0,0,0,0,0,0|2,0,0]=2 455 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [0,0,0,0,0,0|2,0,0]=2 456 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [0,0,0,0,0,0|2,0,0]=2 457 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [0,0,0,0,0,0|2,0,0]=2 458 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [0,0,0,0,0,0|2,0,0]=2 459 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [0,0,0,0,0,0|2,0,0]=2 460 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [0,0,0,0,0,0|2,0,0]=2 461 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [0,0,0,0,0,0|2,0,0]=2 462 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [0,0,0,0,0,0|2,0,0]=2 463 B11R1.83 COc1ccc(cn1)OCF 34a_100011934560_100015361967 [0,0,0,0,0,0|3,0,0]=3 464 B11R1.83 COc1ccc(cn1)SCF 62a_100000047065_100015361967 [0,0,0,0,0,0|3,0,0]=3 465 B11R1.83 COc1ccc(cn1)SCF 62a_100015361967_100000047065 [0,0,0,0,0,0|3,0,0]=3 466 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [0,0,0,0,0,0|2,0,0]=2 467 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [0,0,0,0,0,0|2,0,0]=2 468 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [0,0,0,0,0,0|2,0,0]=2 469 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [0,0,0,0,0,0|2,0,0]=2 470 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [0,0,0,0,0,0|2,0,0]=2 471 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [0,0,0,0,0,0|2,0,0]=2 472 B11R1.83 COc1ccc(nc1)OCF 34a_100012002028_100015361967 [0,0,0,0,0,0|3,0,0]=3 473 B11R1.83 COc1ccc(nc1)SCF 62a_100000755202_100015361967 [0,0,0,0,0,0|3,0,0]=3 474 B11R1.83 COc1ccc(nc1)SCF 62a_100015361967_100000744180 [0,0,0,0,0,0|3,0,0]=3 475 B11R1.83 COc1ccc(nn1)SCF 62a_100009819040_100015361967 [0,0,0,0,0,0|4,0,0]=4 476 B11R1.83 COc1ccc(nn1)SCF 62a_100015361967_100009819040 [0,0,0,0,0,0|4,0,0]=4 477 B11R1.83 COc1cnc(cn1)SCF 62a_100011998698_100015361967 [0,0,0,0,0,0|4,0,0]=4 478 B11R1.83 COc1cnc(cn1)SCF 62a_100015361967_100011998698 [0,0,0,0,0,0|4,0,0]=4 479 B11R1.83 COc1cnc(nc1)SCF 62a_100000069167_100015361967 [0,0,0,0,0,0|4,0,0]=4 480 B11R1.83 COc1cnc(nc1)SCF 62a_100015361967_100000069167 [0,0,0,0,0,0|4,0,0]=4 481 B11R1.83 COc1ncc(cn1)OCF 34a_100000099601_100015361967 [0,0,0,0,0,0|4,0,0]=4 482 B11R1.83 COc1ncc(cn1)OCF 7a_100000099601_100015361967 [0,0,0,0,0,0|4,0,0]=4 483 B11R1.83 COc1ncc(cn1)SCF 62a_100000686852_100015361967 [0,0,0,0,0,0|4,0,0]=4 484 B11R1.83 COc1ncc(cn1)SCF 62a_100015361967_100000686852 [0,0,0,0,0,0|4,0,0]=4 485 B11R1.83 CSCc1ccc(cc1)C#N 62a_200000210301_100000184898 [0,0,0,0,0,0|3,0,0]=3 486 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [0,0,0,0,0,0|3,0,0]=3 487 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [0,0,0,0,0,0|3,0,0]=3 488 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [0,0,0,0,0,0|3,0,0]=3 489 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [0,0,0,0,0,0|3,0,0]=3 490 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [0,0,0,0,0,0|2,0,0]=2 491 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [0,0,0,0,0,0|2,0,0]=2 492 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [0,0,0,0,0,0|2,0,0]=2 493 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [0,0,0,0,0,0|1,1,0]=2 494 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [0,0,0,0,0,0|1,1,0]=2 495 B11R1.83 CSCc1ccc(cn1)C#N 62a_200000210301_100000693164 [0,0,0,0,0,0|4,0,0]=4 496 B11R1.83 CSCc1ccc(nc1)C#N 62a_200000210301_100009816919 [0,0,0,0,0,0|4,0,0]=4 497 B11R1.83 CSCc1ccc(nc1)SC 62a_100000753673_200000210301 [0,0,0,0,0,0|2,1,0]=3 498 B11R1.83 CSCc1ccc(nc1)SC 62a_200000210301_100000753673 [0,0,0,0,0,0|2,1,0]=3 499 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_100000753673_200025704644 [0,0,0,0,0,0|2,1,0]=3 500 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_200025704644_100000753673 [0,0,0,0,0,0|2,1,0]=3 501 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [0,0,0,0,0,0|1,1,2]=4 502 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [0,0,0,0,0,0|1,1,2]=4 503 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [0,0,0,0,0,0|1,1,1]=3 504 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [0,0,0,0,0,0|1,1,1]=3 505 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [0,0,0,0,0,0|1,1,1]=3 506 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [0,0,0,0,0,0|1,1,1]=3 507 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [0,0,0,0,0,0|1,1,0]=2 508 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [0,0,0,0,0,0|1,1,0]=2 509 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [0,0,0,0,0,0|1,1,0]=2 510 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [0,0,0,0,0,0|1,1,0]=2 511 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [0,0,0,0,0,0|2,1,0]=3 512 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [0,0,0,0,0,0|2,1,0]=3 513 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [0,0,0,0,0,0|1,1,0]=2 514 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [0,0,0,0,0,0|1,1,0]=2 515 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [0,0,0,0,0,0|1,1,0]=2 516 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [0,0,0,0,0,0|1,1,0]=2 517 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [0,0,0,0,0,0|1,1,0]=2 518 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [0,0,0,0,0,0|1,1,0]=2 519 B11R1.83 CSc1ccc(cc1)N=[N+]=[N-] 62a_200000210301_100000735661 [0,0,0,0,0,0|3,1,0]=4 520 B11R1.83 CSc1ccc(cc1)NC#N 62a_200000210301_100011685341 [0,0,0,0,0,0|2,1,1]=4 521 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [0,0,0,0,0,0|2,1,0]=3 522 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [0,0,0,0,0,0|2,1,0]=3 523 B11R1.83 CSc1ccc(cc1)SCF 62a_100011263217_100015361967 [0,0,0,0,0,0|2,1,0]=3 524 B11R1.83 CSc1ccc(cc1)SCF 62a_100015361967_100011263217 [0,0,0,0,0,0|2,1,0]=3 525 B11R1.83 CSc1ccc(cn1)CC#N 62a_100000747943_200000210301 [0,0,0,0,0,0|2,1,1]=4 526 B11R1.83 CSc1ccc(cn1)CC#N 62a_200000210301_100000747943 [0,0,0,0,0,0|2,1,1]=4 527 B11R1.83 CSc1ccc(cn1)CCO 62a_100009880866_200000210301 [0,0,0,0,0,0|2,1,0]=3 528 B11R1.83 CSc1ccc(cn1)CCO 62a_200000210301_100009880866 [0,0,0,0,0,0|2,1,0]=3 529 B11R1.83 CSc1ccc(cn1)CNN 62a_106726394036_200000210301 [0,0,0,0,0,0|3,1,0]=4 530 B11R1.83 CSc1ccc(cn1)CNN 62a_200000210301_106726394036 [0,0,0,0,0,0|3,1,0]=4 531 B11R1.83 CSc1ccc(cn1)SCF 62a_100011408404_100015361967 [0,0,0,0,0,0|3,1,0]=4 532 B11R1.83 CSc1ccc(cn1)SCF 62a_100015361967_100011408404 [0,0,0,0,0,0|3,1,0]=4 533 B11R1.83 CSc1ccc(nc1)CC#N 62a_100011824422_200000210301 [0,0,0,0,0,0|2,1,1]=4 534 B11R1.83 CSc1ccc(nc1)CC#N 62a_200000210301_100011824422 [0,0,0,0,0,0|2,1,1]=4 535 B11R1.83 CSc1ccc(nc1)CCO 62a_100012357577_200000210301 [0,0,0,0,0,0|2,1,0]=3 536 B11R1.83 CSc1ccc(nc1)CCO 62a_200000210301_100012357577 [0,0,0,0,0,0|2,1,0]=3 537 B11R1.83 CSc1ccc(nc1)SCF 62a_100009820866_100015361967 [0,0,0,0,0,0|3,1,0]=4 538 B11R1.83 CSc1ccc(nc1)SCF 62a_100015361967_100009820866 [0,0,0,0,0,0|3,1,0]=4 539 B11R1.83 CSc1ncc(cn1)CO[13CH3] 7a_100012002198_200025704644 [0,0,0,0,0,0|3,1,0]=4 540 B11R1.83 FCSc1ccc(cc1)CF 62a_100010268989_100015361967 [0,0,0,0,0,0|4,0,0]=4 541 B11R1.83 FCSc1ccc(cc1)CF 62a_100015361967_100010268989 [0,0,0,0,0,0|4,0,0]=4 542 B11R1.83 N#Cc1ccc(cc1)NCF 34a_100000185469_100015361967 [0,0,0,0,0,0|4,0,0]=4 543 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [0,0,0,0,0,0|4,0,0]=4 544 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [0,0,0,0,0,0|4,0,0]=4 545 B11R1.83 N#Cc1ccc(cc1)SCF 62a_100015361967_100000184291 [0,0,0,0,0,0|4,0,0]=4 546 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [0,0,0,0,0,0|4,0,0]=4 547 B11R1.83 NCc1ccc(cc1)SCF 62a_100015361967_100016989417 [0,0,0,0,0,0|4,0,0]=4 548 B11R1.83 NCc1ccc(cc1)SCF 62a_100016989417_100015361967 [0,0,0,0,0,0|4,0,0]=4 549 B11R1.83 NNc1ccc(cc1)SCF 62a_100015361967_100016988836 [0,0,0,0,0,0|4,0,0]=4 550 B11R1.83 NNc1ccc(cc1)SCF 62a_100016988836_100015361967 [0,0,0,0,0,0|4,0,0]=4 551 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [0,0,0,0,0,0|4,0,0]=4 552 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [0,0,0,0,0,0|4,0,0]=4 553 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [0,0,0,0,0,0|4,0,0]=4 554 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [0,0,0,0,0,0|4,0,0]=4 555 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [0,0,0,0,0,0|4,0,0]=4 556 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [0,0,0,0,0,0|4,0,0]=4 557 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [0,0,0,0,0,0|3,0,0]=3 558 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [0,0,0,0,0,0|3,0,0]=3 559 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [0,0,0,0,0,0|3,0,0]=3 560 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [0,0,0,0,0,0|2,0,1]=3 561 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [0,0,0,0,0,0|2,0,0]=2 562 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [0,0,0,0,0,0|2,0,0]=2 563 B11R1.83 [13CH3]Nc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200025704644 [0,0,0,0,0,0|4,0,0]=4 564 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [0,0,0,0,0,0|3,0,0]=3 565 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [0,0,0,0,0,0|3,0,0]=3 566 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [0,0,0,0,0,0|3,0,0]=3 567 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [0,0,0,0,0,0|3,0,0]=3 568 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [0,0,0,0,0,0|3,0,0]=3 569 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [0,0,0,0,0,0|3,0,0]=3 570 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [0,0,0,0,0,0|3,0,0]=3 571 B11R1.83 [13CH3]OCc1ccc(cn1)C#N 34a_100000101912_200025704644 [0,0,0,0,0,0|4,0,0]=4 572 B11R1.83 [13CH3]OCc1ccc(nc1)C#N 34a_100000090650_200025704644 [0,0,0,0,0,0|4,0,0]=4 573 B11R1.83 [13CH3]OCc1ccc(nc1)C#N 7a_100000090650_200025704644 [0,0,0,0,0,0|4,0,0]=4 574 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [0,0,0,0,0,0|1,0,1]=2 575 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [0,0,0,0,0,0|1,0,1]=2 576 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [0,0,0,0,0,0|1,0,0]=1 577 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [0,0,0,0,0,0|1,0,0]=1 578 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [0,0,0,0,0,0|1,0,0]=1 579 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [0,0,0,0,0,0|1,0,0]=1 580 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [0,0,0,0,0,0|1,0,0]=1 581 B11R1.83 [13CH3]SCc1ccc(cc1)C#N 62a_200025704644_100000184898 [0,0,0,0,0,0|3,0,0]=3 582 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [0,0,0,0,0,0|3,0,0]=3 583 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [0,0,0,0,0,0|3,0,0]=3 584 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [0,0,0,0,0,0|3,0,0]=3 585 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [0,0,0,0,0,0|3,0,0]=3 586 B11R1.83 [13CH3]SCc1ccc(cn1)C#N 62a_200025704644_100000693164 [0,0,0,0,0,0|4,0,0]=4 587 B11R1.83 [13CH3]SCc1ccc(nc1)C#N 62a_200025704644_100009816919 [0,0,0,0,0,0|4,0,0]=4 588 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [0,0,0,0,0,0|1,1,2]=4 589 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [0,0,0,0,0,0|1,1,2]=4 590 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [0,0,0,0,0,0|1,1,1]=3 591 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [0,0,0,0,0,0|1,1,1]=3 592 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [0,0,0,0,0,0|1,1,1]=3 593 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [0,0,0,0,0,0|1,1,1]=3 594 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [0,0,0,0,0,0|1,1,0]=2 595 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [0,0,0,0,0,0|1,1,0]=2 596 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [0,0,0,0,0,0|1,1,0]=2 597 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [0,0,0,0,0,0|1,1,0]=2 598 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [0,0,0,0,0,0|2,1,0]=3 599 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [0,0,0,0,0,0|2,1,0]=3 600 B11R1.83 [13CH3]Sc1ccc(cc1)N=[N+]=[N-] 62a_200025704644_100000735661 [0,0,0,0,0,0|3,1,0]=4 601 B11R1.83 [13CH3]Sc1ccc(cc1)NC#N 62a_200025704644_100011685341 [0,0,0,0,0,0|2,1,1]=4 602 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_100000747943_200025704644 [0,0,0,0,0,0|2,1,1]=4 603 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_200025704644_100000747943 [0,0,0,0,0,0|2,1,1]=4 604 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_100009880866_200025704644 [0,0,0,0,0,0|2,1,0]=3 605 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_200025704644_100009880866 [0,0,0,0,0,0|2,1,0]=3 606 B11R1.83 [13CH3]Sc1ccc(cn1)CNN 62a_106726394036_200025704644 [0,0,0,0,0,0|3,1,0]=4 607 B11R1.83 [13CH3]Sc1ccc(cn1)CNN 62a_200025704644_106726394036 [0,0,0,0,0,0|3,1,0]=4 608 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_100011824422_200025704644 [0,0,0,0,0,0|2,1,1]=4 609 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_200025704644_100011824422 [0,0,0,0,0,0|2,1,1]=4 610 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_100012357577_200025704644 [0,0,0,0,0,0|2,1,0]=3 611 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_200025704644_100012357577 [0,0,0,0,0,0|2,1,0]=3 612 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,0,0,0,0|0,0,2]=3 613 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,0,0,0,0,0|0,0,3]=4 614 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,0,0,0,0,0|0,0,3]=4 615 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,0,0,0,0,0|1,0,2]=4 616 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,0,0,0,0,0|0,0,2]=3 617 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,0,0,0,0,0|1,0,2]=4 618 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,0,0,0,0,0|1,0,2]=4 619 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,0,0,0,0,0|1,0,2]=4 620 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,0,0,0,0|0,0,2]=3 621 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,0,0,0,0,0|1,0,2]=4 622 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,0,0,0,0,0|1,0,2]=4 623 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,0,0,0,0,0|1,0,2]=4 624 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,0,0,0,0,0|0,0,0]=1 625 B10R1.1 CCCc1cnc(nc1)O 271570a_203496583355_100000039067 [1,0,0,0,0,0|2,0,0]=3 626 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,0,0,0,0,0|2,0,0]=3 627 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,0,0,0,0,0|2,0,0]=3 628 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,0,0,0,0,0|1,0,0]=2 629 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,0,0,0,0,0|2,0,0]=3 630 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,0,0,0,0,0|2,0,0]=3 631 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,0,0,0,0,0|2,0,0]=3 632 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,0,0,0,0,0|2,0,0]=3 633 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,0,0,0,0,0|1,0,0]=2 634 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,0,0,0,0,0|1,0,0]=2 635 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,0,0,0,0,0|3,0,0]=4 636 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,0,0,0,0,0|2,0,0]=3 637 B10R1.1 CCNc1ccc(nn1)C 27a_100015525214_100000744512 [1,0,0,0,0,0|3,0,0]=4 638 B10R1.1 CCNc1ccc(nn1)O 271570a_203496583355_100000215268 [1,0,0,0,0,0|3,0,0]=4 639 B10R1.1 CCNc1cnc(cn1)C 27a_100015525214_100000074397 [1,0,0,0,0,0|3,0,0]=4 640 B10R1.1 CCNc1ncc(cn1)C 27a_100015525214_100000061069 [1,0,0,0,0,0|3,0,0]=4 641 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,0,0,0,0,0|2,0,1]=4 642 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,0,0,0,0,0|2,0,0]=3 643 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,0,0,0,0,0|2,0,0]=3 644 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,0,0,0,0,0|1,0,0]=2 645 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,0,0,0,0,0|1,0,0]=2 646 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,0,0,0,0,0|2,0,0]=3 647 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,0,0,0,0,0|2,0,0]=3 648 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,0,0,0,0,0|2,0,0]=3 649 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,0,0,0,0,0|2,0,0]=3 650 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,0,0,0,0,0|2,0,0]=3 651 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,0,0,0,0,0|2,0,0]=3 652 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,0,0,0,0,0|1,0,0]=2 653 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,0,0,0,0,0|2,0,0]=3 654 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,0,0,0,0,0|3,0,0]=4 655 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,0,0,0,0,0|3,0,0]=4 656 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,0,0,0,0,0|3,0,0]=4 657 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,0,0,0,0,0|2,0,0]=3 658 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,0,0,0,0,0|3,0,0]=4 659 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,0,0,0,0,0|3,0,0]=4 660 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,0,0,0,0,0|2,0,0]=3 661 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,0,0,0,0,0|2,0,0]=3 662 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,0,0,0,0,0|3,0,0]=4 663 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,0,0,0,0,0|3,0,0]=4 664 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,0,0,0,0,0|3,0,0]=4 665 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,0,0,0,0,0|3,0,0]=4 666 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,0,0,0,0,0|3,0,0]=4 667 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,0,0,0,0,0|3,0,0]=4 668 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,0,0,0,0,0|3,0,0]=4 669 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,0,0,0,0,0|3,0,0]=4 670 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,0,0,0,0,0|2,0,0]=3 671 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [1,0,0,0,0,0|3,0,0]=4 672 B10R1.1 CCOc1cnc(cn1)O 271570a_203496583355_200012356188 [1,0,0,0,0,0|3,0,0]=4 673 B10R1.1 CCOc1cnc(nc1)C 34a_100000062939_100000210202 [1,0,0,0,0,0|3,0,0]=4 674 B10R1.1 CCOc1cnc(nc1)C 7a_100000062939_100000210202 [1,0,0,0,0,0|3,0,0]=4 675 B10R1.1 CCOc1cnc(nc1)O 271570a_203496583355_100000099823 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.1 CCOc1ncc(cn1)O 271570a_203496583355_100011934766 [1,0,0,0,0,0|3,0,0]=4 677 B10R1.1 CCSc1cc[n+](cc1)[O-] 62a_100000210202_100000039755 [1,0,0,0,0,0|2,0,1]=4 678 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [1,0,0,0,0,0|2,0,1]=4 679 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [1,0,0,0,0,0|2,0,1]=4 680 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,0,0,0,0,0|2,0,0]=3 681 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,0,0,0,0,0|2,0,0]=3 682 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,0,0,0,0,0|1,0,0]=2 683 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,0,0,0,0,0|1,0,0]=2 684 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,0,0,0,0,0|2,0,0]=3 685 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,0,0,0,0,0|2,0,0]=3 686 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,0,0,0,0,0|2,0,0]=3 687 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,0,0,0,0,0|2,0,0]=3 688 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,0,0,0,0,0|2,0,0]=3 689 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,0,0,0,0,0|2,0,0]=3 690 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,0,0,0,0,0|1,0,0]=2 691 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,0,0,0,0,0|1,0,0]=2 692 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,0,0,0,0,0|3,0,0]=4 693 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,0,0,0,0,0|3,0,0]=4 694 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,0,0,0,0,0|2,0,0]=3 695 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,0,0,0,0,0|2,0,0]=3 696 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,0,0,0,0,0|3,0,0]=4 697 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,0,0,0,0,0|3,0,0]=4 698 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,0,0,0,0,0|3,0,0]=4 699 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,0,0,0,0,0|3,0,0]=4 700 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,0,0,0,0,0|3,0,0]=4 701 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,0,0,0,0,0|3,0,0]=4 702 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,0,0,0,0,0|2,0,0]=3 703 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,0,0,0,0,0|2,0,0]=3 704 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,0,0,0,0,0|2,0,0]=3 705 B10R1.1 CCSc1ccc(nc1)Br 62a_100000210202_100009814638 [1,0,0,0,0,0|3,0,0]=4 706 B10R1.1 CCSc1ccc(nc1)Br 62a_100009814638_100000210202 [1,0,0,0,0,0|3,0,0]=4 707 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [1,0,0,0,0,0|2,0,0]=3 708 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [1,0,0,0,0,0|2,0,0]=3 709 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000034144_100000210202 [1,0,0,0,0,0|3,0,0]=4 710 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000210202_100000034144 [1,0,0,0,0,0|3,0,0]=4 711 B10R1.1 CCSc1ccc(nc1)F 62a_100000042367_100000210202 [1,0,0,0,0,0|3,0,0]=4 712 B10R1.1 CCSc1ccc(nc1)F 62a_100000210202_100000042367 [1,0,0,0,0,0|3,0,0]=4 713 B10R1.1 CCSc1ccc(nc1)N 62a_100000187370_100000210202 [1,0,0,0,0,0|3,0,0]=4 714 B10R1.1 CCSc1ccc(nc1)N 62a_100000210202_100000187370 [1,0,0,0,0,0|3,0,0]=4 715 B10R1.1 CCSc1ccc(nn1)C 62a_100000210202_100000744512 [1,0,0,0,0,0|3,0,0]=4 716 B10R1.1 CCSc1ccc(nn1)C 62a_100000744512_100000210202 [1,0,0,0,0,0|3,0,0]=4 717 B10R1.1 CCSc1cnc(cn1)C 62a_100000210202_100011999403 [1,0,0,0,0,0|3,0,0]=4 718 B10R1.1 CCSc1cnc(cn1)C 62a_100011999403_100000210202 [1,0,0,0,0,0|3,0,0]=4 719 B10R1.1 CCSc1cnc(cn1)O 62a_100000210202_100015839800 [1,0,0,0,0,0|3,0,0]=4 720 B10R1.1 CCSc1cnc(cn1)O 62a_100011934580_100000210202 [1,0,0,0,0,0|3,0,0]=4 721 B10R1.1 CCSc1cnc(nc1)C 62a_100000210202_100000686985 [1,0,0,0,0,0|3,0,0]=4 722 B10R1.1 CCSc1cnc(nc1)C 62a_100000686985_100000210202 [1,0,0,0,0,0|3,0,0]=4 723 B10R1.1 CCSc1ncc(cn1)C 62a_100000061069_100000210202 [1,0,0,0,0,0|3,0,0]=4 724 B10R1.1 CCSc1ncc(cn1)C 62a_100000210202_100000061069 [1,0,0,0,0,0|3,0,0]=4 725 B10R1.1 CCSc1ncc(cn1)O 271570a_203496583355_200011939514 [1,0,0,0,0,0|3,0,0]=4 726 B10R1.1 CCSc1ncc(cn1)O 62a_100000210202_100000092845 [1,0,0,0,0,0|3,0,0]=4 727 B10R1.1 CCSc1ncc(cn1)O 62a_100000730009_100000210202 [1,0,0,0,0,0|3,0,0]=4 728 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,0,0,0,0,0|2,0,0]=3 729 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,0,0,0,0,0|2,0,0]=3 730 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,0,0,0,0,0|2,0,0]=3 731 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,0,0,0,0,0|2,0,0]=3 732 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,0,0,0,0,0|2,0,0]=3 733 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,0,0,0,0,0|2,0,0]=3 734 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,0,0,0,0,0|2,0,0]=3 735 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,0,0,0,0,0|2,0,0]=3 736 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,0,0,0,0,0|1,0,0]=2 737 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,0,0,0,0,0|1,0,0]=2 738 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,0,0,0,0,0|1,0,0]=2 739 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,0,0,0,0,0|1,0,0]=2 740 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,0,0,0,0,0|1,0,0]=2 741 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,0,0,0,0,0|1,0,0]=2 742 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,0,0,0,0,0|1,0,0]=2 743 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,0,0,0,0,0|1,0,0]=2 744 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,0,0,0,0,0|2,0,0]=3 745 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,0,0,0,0,0|2,0,0]=3 746 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,0,0,0,0,0|2,0,0]=3 747 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,0,0,0,0,0|2,0,0]=3 748 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,0,0,0,0,0|2,0,0]=3 749 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,0,0,0,0,0|2,0,0]=3 750 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,0,0,0,0,0|2,0,0]=3 751 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,0,0,0,0,0|2,0,0]=3 752 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,0,0,0,0,0|2,0,0]=3 753 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,0,0,0,0,0|2,0,0]=3 754 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,0,0,0,0,0|2,0,0]=3 755 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,0,0,0,0,0|2,0,0]=3 756 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,0,0,0,0,0|2,0,0]=3 757 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,0,0,0,0,0|2,0,0]=3 758 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,0,0,0,0,0|2,0,0]=3 759 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,0,0,0,0,0|2,0,0]=3 760 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,0,0,0,0,0|2,0,0]=3 761 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,0,0,0,0,0|2,0,0]=3 762 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,0,0,0,0,0|2,0,0]=3 763 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,0,0,0,0,0|2,0,0]=3 764 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,0,0,0,0,0|1,0,0]=2 765 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,0]=2 766 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,0,0,0,0,0|3,0,0]=4 767 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,0,0,0,0,0|3,0,0]=4 768 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,0,0,0,0,0|3,0,0]=4 769 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,0,0,0,0,0|3,0,0]=4 770 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,0,0,0,0,0|3,0,0]=4 771 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,0,0,0,0,0|3,0,0]=4 772 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,0,0,0,0,0|2,0,0]=3 773 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,0,0,0,0,0|2,0,0]=3 774 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,0,0,0,0,0|2,0,0]=3 775 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,0,0,0,0,0|2,0,0]=3 776 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,0,0,0,0,0|2,0,0]=3 777 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,0,0,0,0,0|2,0,0]=3 778 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,0,0,0,0,0|3,0,0]=4 779 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,0,0,0,0,0|3,0,0]=4 780 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,0,0,0,0,0|3,0,0]=4 781 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,0,0,0,0,0|3,0,0]=4 782 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,0,0,0,0,0|3,0,0]=4 783 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,0,0,0,0,0|3,0,0]=4 784 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,0,0,0,0,0|3,0,0]=4 785 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,0,0,0,0,0|3,0,0]=4 786 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,0,0,0,0,0|3,0,0]=4 787 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,0,0,0,0,0|3,0,0]=4 788 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,0,0,0,0,0|3,0,0]=4 789 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,0,0,0,0,0|3,0,0]=4 790 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,0,0,0,0,0|3,0,0]=4 791 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,0,0,0,0,0|3,0,0]=4 792 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,0,0,0,0,0|3,0,0]=4 793 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,0,0,0,0,0|3,0,0]=4 794 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,0,0,0,0,0|3,0,0]=4 795 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,0,0,0,0,0|2,0,0]=3 796 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,0,0,0,0,0|2,0,0]=3 797 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,0,0,0,0,0|2,0,0]=3 798 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,0,0,0,0,0|2,0,0]=3 799 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,0,0,0,0,0|2,0,0]=3 800 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,0,0,0,0,0|3,0,0]=4 801 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,0,0,0,0,0|3,0,0]=4 802 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,0,0,0,0,0|3,0,0]=4 803 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,0,0,0,0,0|3,0,0]=4 804 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,0,0,0,0,0|3,0,0]=4 805 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,0,0,0,0,0|3,0,0]=4 806 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,0,0,0,0,0|3,0,0]=4 807 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,0,0,0,0,0|3,0,0]=4 808 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,0,0,0,0,0|3,0,0]=4 809 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,0,0,0,0,0|3,0,0]=4 810 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,0,0,0,0,0|2,0,0]=3 811 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,0,0,0,0,0|2,0,0]=3 812 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,0,0,0,0,0|2,0,0]=3 813 B10R1.1 CNCc1cnc(cn1)C 2230a_106832991635_100000752025 [1,0,0,0,0,0|3,0,0]=4 814 B10R1.1 CNCc1cnc(cn1)C 270004a_106832991635_100000685221 [1,0,0,0,0,0|3,0,0]=4 815 B10R1.1 CNCc1cnc(cn1)C 34a_100132314150_200000210301 [1,0,0,0,0,0|3,0,0]=4 816 B10R1.1 CNCc1cnc(cn1)C 7a_106832991635_100000752025 [1,0,0,0,0,0|3,0,0]=4 817 B10R1.1 CNCc1cnc(nc1)C 270004a_106832991635_100011202771 [1,0,0,0,0,0|3,0,0]=4 818 B10R1.1 CNCc1ncc(cn1)C 2230a_106832991635_100000685645 [1,0,0,0,0,0|3,0,0]=4 819 B10R1.1 CNCc1ncc(cn1)C 34a_100102657272_100000685645 [1,0,0,0,0,0|3,0,0]=4 820 B10R1.1 CNCc1ncc(cn1)C 7a_106832991635_100000685645 [1,0,0,0,0,0|3,0,0]=4 821 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [1,0,0,0,0,0|2,0,0]=3 822 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [1,0,0,0,0,0|2,0,1]=4 823 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [1,0,0,0,0,0|2,0,1]=4 824 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [1,0,0,0,0,0|2,0,1]=4 825 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,0,0,0,0,0|2,0,0]=3 826 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,0,0,0,0,0|2,0,0]=3 827 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,0,0,0,0,0|1,0,0]=2 828 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,0,0,0,0,0|1,0,0]=2 829 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,0,0,0,0,0|1,0,0]=2 830 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,0,0,0,0,0|2,0,0]=3 831 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,0,0,0,0,0|2,0,0]=3 832 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,0,0,0,0,0|2,0,0]=3 833 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,0,0,0,0,0|2,0,0]=3 834 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,0,0,0,0,0|2,0,0]=3 835 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,0,0,0,0,0|2,0,0]=3 836 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,0,0,0,0,0|2,0,0]=3 837 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,0,0,0,0,0|2,0,0]=3 838 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,0,0,0,0,0|2,0,0]=3 839 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,0,0,0,0,0|2,0,0]=3 840 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,0,0,0,0,0|1,0,0]=2 841 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,0,0,0,0,0|3,0,0]=4 842 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,0,0,0,0,0|3,0,0]=4 843 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,0,0,0,0,0|2,0,0]=3 844 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,0,0,0,0,0|2,0,0]=3 845 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,0,0,0,0,0|3,0,0]=4 846 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,0,0,0,0,0|3,0,0]=4 847 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,0,0,0,0,0|3,0,0]=4 848 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,0,0,0,0,0|3,0,0]=4 849 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,0,0,0,0,0|3,0,0]=4 850 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [1,0,0,0,0,0|3,0,0]=4 851 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [1,0,0,0,0,0|3,0,0]=4 852 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [1,0,0,0,0,0|3,0,0]=4 853 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,0,0,0,0,0|2,0,0]=3 854 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,0,0,0,0,0|2,0,0]=3 855 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [1,0,0,0,0,0|3,0,0]=4 856 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [1,0,0,0,0,0|3,0,0]=4 857 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [1,0,0,0,0,0|3,0,0]=4 858 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [1,0,0,0,0,0|3,0,0]=4 859 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [1,0,0,0,0,0|3,0,0]=4 860 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [1,0,0,0,0,0|3,0,0]=4 861 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [1,0,0,0,0,0|3,0,0]=4 862 B10R1.1 COCc1cnc(nc1)C 34a_100011746891_200000210301 [1,0,0,0,0,0|3,0,0]=4 863 B10R1.1 COCc1ncc(cn1)C 34a_100138415774_100000685645 [1,0,0,0,0,0|3,0,0]=4 864 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,0,0,0,0,0|2,0,0]=3 865 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,0,0,0,0,0|2,0,0]=3 866 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,0,0,0,0,0|1,0,0]=2 867 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,0,0,0,0,0|1,0,0]=2 868 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,0,0,0,0,0|2,0,0]=3 869 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,0,0,0,0,0|2,0,0]=3 870 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,0,0,0,0,0|2,0,0]=3 871 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,0,0,0,0,0|2,0,0]=3 872 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,0,0,0,0,0|2,0,0]=3 873 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,0,0,0,0,0|2,0,0]=3 874 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [1,0,0,0,0,0|3,0,0]=4 875 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [1,0,0,0,0,0|3,0,0]=4 876 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,0,0,0,0,0|2,0,0]=3 877 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,0,0,0,0,0|2,0,0]=3 878 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,0,0,0,0,0|3,0,0]=4 879 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,0,0,0,0,0|3,0,0]=4 880 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [1,0,0,0,0,0|3,0,0]=4 881 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [1,0,0,0,0,0|3,0,0]=4 882 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [1,0,0,0,0,0|3,0,0]=4 883 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [1,0,0,0,0,0|3,0,0]=4 884 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [1,0,0,0,0,0|2,0,0]=3 885 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [1,0,0,0,0,0|2,0,0]=3 886 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [1,0,0,0,0,0|3,0,0]=4 887 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [1,0,0,0,0,0|3,0,0]=4 888 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [1,0,0,0,0,0|3,0,0]=4 889 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [1,0,0,0,0,0|3,0,0]=4 890 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,0,0,0,0,0|2,0,0]=3 891 B10R1.1 CSCc1cnc(cn1)C 62a_100000752025_200000210301 [1,0,0,0,0,0|3,0,0]=4 892 B10R1.1 CSCc1cnc(cn1)C 62a_200000210301_100000752025 [1,0,0,0,0,0|3,0,0]=4 893 B10R1.1 CSCc1ncc(cn1)C 62a_100000685645_200000210301 [1,0,0,0,0,0|3,0,0]=4 894 B10R1.1 CSCc1ncc(cn1)C 62a_200000210301_100000685645 [1,0,0,0,0,0|3,0,0]=4 895 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [1,0,0,0,0,0|2,0,0]=3 896 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,0,0,0,0,0|1,0,0]=2 897 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,0,0,0,0,0|1,0,0]=2 898 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,0,0,0,0,0|1,0,0]=2 899 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,0,0,0,0,0|1,0,0]=2 900 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,0,0,0,0,0|1,0,0]=2 901 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,0,0,0,0,0|1,0,0]=2 902 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,0,0,0,0,0|2,0,0]=3 903 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,0,0,0,0,0|2,0,0]=3 904 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,0,0,0,0,0|2,0,0]=3 905 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,0,0,0,0,0|2,0,0]=3 906 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,0,0,0,0,0|2,0,0]=3 907 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,0,0,0,0,0|2,0,0]=3 908 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,0,0,0,0,0|2,0,0]=3 909 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [1,0,0,0,0,0|2,0,0]=3 910 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [1,0,0,0,0,0|2,0,0]=3 911 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [1,0,0,0,0,0|3,0,0]=4 912 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [1,0,0,0,0,0|3,0,0]=4 913 B10R1.1 Cc1ccc(cn1)SCF 62a_100000751577_100015361967 [1,0,0,0,0,0|3,0,0]=4 914 B10R1.1 Cc1ccc(cn1)SCF 62a_100015361967_100000751577 [1,0,0,0,0,0|3,0,0]=4 915 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,0,0,0,0,0|2,0,0]=3 916 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,0,0,0,0,0|2,0,0]=3 917 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,0,0,0,0,0|2,0,0]=3 918 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,0,0,0,0,0|2,0,0]=3 919 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,0,0,0,0,0|3,0,0]=4 920 B10R1.1 Cc1ccc(nc1)SCF 62a_100011192072_100015361967 [1,0,0,0,0,0|3,0,0]=4 921 B10R1.1 Cc1ccc(nc1)SCF 62a_100015361967_100000754016 [1,0,0,0,0,0|3,0,0]=4 922 B10R1.1 Cc1cnc(cn1)CN[13CH3] 34a_100132314150_200025704644 [1,0,0,0,0,0|3,0,0]=4 923 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [1,0,0,0,0,0|3,0,0]=4 924 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_100000752025_200025704644 [1,0,0,0,0,0|3,0,0]=4 925 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_200025704644_100000752025 [1,0,0,0,0,0|3,0,0]=4 926 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_100000685645_200025704644 [1,0,0,0,0,0|3,0,0]=4 927 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_200025704644_100000685645 [1,0,0,0,0,0|3,0,0]=4 928 B10R1.1 Cc1ncc(cn1)CO[13CH3] 34a_100011746891_200025704644 [1,0,0,0,0,0|3,0,0]=4 929 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,0,0,0,0,0|3,0,0]=4 930 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,0,0,0,0,0|3,0,0]=4 931 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,0,0,0,0,0|3,0,0]=4 932 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,0,0,0,0,0|3,0,0]=4 933 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,0,0,0,0,0|3,0,0]=4 934 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,0,0,0,0,0|3,0,0]=4 935 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,0,0,0,0,0|3,0,0]=4 936 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,0,0,0,0,0|3,0,0]=4 937 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,0,0,0,0,0|3,0,0]=4 938 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,0,0,0,0,0|3,0,0]=4 939 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,0,0,0,0,0|3,0,0]=4 940 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,0,0,0,0,0|3,0,0]=4 941 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,0,0,0,0,0|3,0,0]=4 942 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,0,0,0,0,0|3,0,0]=4 943 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,0,0,0,0,0|3,0,0]=4 944 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,0,0,0,0,0|3,0,0]=4 945 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,0,0,0,0,0|3,0,0]=4 946 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,0,0,0,0,0|1,0,1]=3 947 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,0,0,0,0,0|2,0,1]=4 948 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [1,0,0,0,0,0|2,0,1]=4 949 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,0,0,0,0,0|2,0,1]=4 950 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,0,0,0,0,0|1,0,0]=2 951 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,0,0,0,0,0|2,0,0]=3 952 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [1,0,0,0,0,0|3,0,0]=4 953 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,0,0,0,0,0|3,0,0]=4 954 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,0,0,0,0,0|3,0,0]=4 955 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,0,0,0,0,0|3,0,0]=4 956 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,0,0,0,0|1,0,1]=3 957 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,0,0,0,0|1,0,0]=2 958 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,0,0,0,0,0|2,0,0]=3 959 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,0,0,0,0,0|2,0,0]=3 960 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,0,0,0,0,0|1,0,2]=4 961 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,0,0,0,0,0|2,0,0]=3 962 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,0,0,0,0,0|2,0,0]=3 963 B10R1.1 Oc1ccc(nc1)SCF 62a_100000685995_100015361967 [1,0,0,0,0,0|3,0,0]=4 964 B10R1.1 Oc1ccc(nc1)SCF 62a_100015361967_100000744096 [1,0,0,0,0,0|3,0,0]=4 965 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,0,0,0,0,0|2,0,0]=3 966 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,0,0,0,0,0|2,0,0]=3 967 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,0,0,0,0,0|2,0,0]=3 968 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,0,0,0,0,0|2,0,0]=3 969 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,0,0,0,0,0|2,0,0]=3 970 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,0,0,0,0,0|2,0,0]=3 971 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,0,0,0,0,0|2,0,0]=3 972 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,0,0,0,0,0|2,0,0]=3 973 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,0]=2 974 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,0,0,0,0,0|3,0,0]=4 975 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,0,0,0,0,0|3,0,0]=4 976 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,0,0,0,0,0|3,0,0]=4 977 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,0,0,0,0,0|3,0,0]=4 978 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,0,0,0,0,0|3,0,0]=4 979 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,0,0,0,0,0|3,0,0]=4 980 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,0,0,0,0,0|3,0,0]=4 981 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,0,0,0,0,0|3,0,0]=4 982 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,0,0,0,0,0|3,0,0]=4 983 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,0,0,0,0,0|2,0,0]=3 984 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [1,0,0,0,0,0|2,0,1]=4 985 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [1,0,0,0,0,0|2,0,1]=4 986 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [1,0,0,0,0,0|2,0,1]=4 987 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,0,0,0,0,0|2,0,0]=3 988 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,0,0,0,0,0|2,0,0]=3 989 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,0,0,0,0,0|2,0,0]=3 990 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,0,0,0,0,0|2,0,0]=3 991 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,0,0,0,0,0|2,0,0]=3 992 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,0,0,0,0,0|2,0,0]=3 993 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,0,0,0,0,0|2,0,0]=3 994 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,0,0,0,0,0|2,0,0]=3 995 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,0,0,0,0,0|3,0,0]=4 996 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,0,0,0,0,0|3,0,0]=4 997 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,0,0,0,0,0|3,0,0]=4 998 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,0,0,0,0,0|3,0,0]=4 999 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [1,0,0,0,0,0|3,0,0]=4 1000 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [1,0,0,0,0,0|3,0,0]=4 1001 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [1,0,0,0,0,0|3,0,0]=4 1002 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [1,0,0,0,0,0|3,0,0]=4 1003 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [1,0,0,0,0,0|3,0,0]=4 1004 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [1,0,0,0,0,0|3,0,0]=4 1005 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,0,0,0,0,0|2,0,0]=3 1006 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,0,0,0,0,0|2,0,0]=3 1007 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,0,0,0,0,0|2,0,0]=3 1008 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,0,0,0,0,0|2,0,0]=3 1009 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,0,0,0,0,0|2,0,0]=3 1010 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,0,0,0,0,0|2,0,0]=3 1011 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,0,0,0,0,0|2,0,0]=3 1012 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,0,0,0,0,0|2,0,0]=3 1013 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [1,0,0,0,0,0|3,0,0]=4 1014 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [1,0,0,0,0,0|3,0,0]=4 1015 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,0,0,0,0,0|3,0,0]=4 1016 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,0,0,0,0,0|3,0,0]=4 1017 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [1,0,0,0,0,0|3,0,0]=4 1018 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [1,0,0,0,0,0|3,0,0]=4 1019 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [1,0,0,0,0,0|3,0,0]=4 1020 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [1,0,0,0,0,0|3,0,0]=4 1021 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [1,0,0,0,0,0|3,0,0]=4 1022 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [1,0,0,0,0,0|3,0,0]=4 1023 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [1,0,0,0,0,0|3,0,0]=4 1024 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [1,0,0,0,0,0|3,0,0]=4 1025 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [1,0,0,0,0,0|3,0,0]=4 1026 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,0,0,0,0,0|1,0,2]=4 1027 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,0,0,0,0,0|1,0,2]=4 1028 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [1,0,0,0,0,0|1,0,2]=4 1029 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [1,0,0,0,0,0|1,0,2]=4 1030 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|1,0,1]=3 1031 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|2,0,1]=4 1032 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|2,0,1]=4 1033 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|2,0,1]=4 1034 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|1,0,2]=4 1035 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|1,0,2]=4 1036 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|1,0,2]=4 1037 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|0,0,2]=3 1038 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|0,0,2]=3 1039 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|0,0,2]=3 1040 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|0,0,2]=3 1041 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|0,0,2]=3 1042 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|0,1,2]=4 1043 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|0,1,2]=4 1044 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|0,1,2]=4 1045 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|0,1,2]=4 1046 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|0,1,2]=4 1047 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|2,0,1]=4 1048 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,0,0,0,0,0|1,0,2]=4 1049 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|2,0,1]=4 1050 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,0,0,0,0,0|1,0,2]=4 1051 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|1,0,0]=2 1052 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|1,0,0]=2 1053 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|1,0,0]=2 1054 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|1,0,0]=2 1055 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|0,0,0]=1 1056 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|0,0,0]=1 1057 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|0,0,0]=1 1058 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|0,0,0]=1 1059 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|0,1,0]=2 1060 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|0,1,0]=2 1061 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|0,1,0]=2 1062 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|0,1,0]=2 1063 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [1,0,0,0,0,0|1,1,0]=3 1064 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [1,0,0,0,0,0|1,1,0]=3 1065 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [1,0,0,0,0,0|1,1,0]=3 1066 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [1,0,0,0,0,0|1,1,0]=3 1067 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [1,0,0,0,0,0|1,1,0]=3 1068 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [1,0,0,0,0,0|1,1,0]=3 1069 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [1,0,0,0,0,0|1,1,0]=3 1070 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [1,0,0,0,0,0|1,1,0]=3 1071 B10R1.3 CCc1cnc(nc1)NC 27a_100102657272_100000033099 [1,0,0,0,0,0|3,0,0]=4 1072 B10R1.3 CCc1cnc(nc1)SC 62a_100000033099_200000210301 [1,0,0,0,0,0|2,1,0]=4 1073 B10R1.3 CCc1cnc(nc1)SC 62a_200000210301_100000033099 [1,0,0,0,0,0|2,1,0]=4 1074 B10R1.3 CCc1cnc(nc1)S[13CH3] 62a_100000033099_200025704644 [1,0,0,0,0,0|2,1,0]=4 1075 B10R1.3 CCc1cnc(nc1)S[13CH3] 62a_200025704644_100000033099 [1,0,0,0,0,0|2,1,0]=4 1076 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,0,0,0,0,0|2,0,1]=4 1077 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1078 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1079 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,0,0,0,0|1,0,0]=2 1080 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,0,0,0,0|1,0,0]=2 1081 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,0,0,0,0|1,0,0]=2 1082 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,0,0,0,0,0|1,1,0]=3 1083 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,0,0,0,0,0|1,1,0]=3 1084 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,0,0,0,0,0|1,1,0]=3 1085 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,0,0,0,0,0|1,1,0]=3 1086 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,0,0,0,0,0|1,1,0]=3 1087 B10R1.3 CNc1ccc(cn1)SC 27a_100102657272_100009820866 [1,0,0,0,0,0|2,1,0]=4 1088 B10R1.3 CNc1ccc(cn1)SC 62a_100000741341_200000210301 [1,0,0,0,0,0|2,1,0]=4 1089 B10R1.3 CNc1ccc(cn1)SC 62a_200000210301_100000741341 [1,0,0,0,0,0|2,1,0]=4 1090 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_100000741341_200025704644 [1,0,0,0,0,0|2,1,0]=4 1091 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741341 [1,0,0,0,0,0|2,1,0]=4 1092 B10R1.3 CNc1ccc(nc1)SC 62a_100000764248_200000210301 [1,0,0,0,0,0|2,1,0]=4 1093 B10R1.3 CNc1ccc(nc1)SC 62a_200000210301_100000764248 [1,0,0,0,0,0|2,1,0]=4 1094 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_100000764248_200025704644 [1,0,0,0,0,0|2,1,0]=4 1095 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_200025704644_100000764248 [1,0,0,0,0,0|2,1,0]=4 1096 B10R1.3 CNc1ccc(nn1)OC 27a_100102657272_100010231723 [1,0,0,0,0,0|3,0,0]=4 1097 B10R1.3 CNc1ncc(cn1)OC 27a_100102657272_100000069167 [1,0,0,0,0,0|3,0,0]=4 1098 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 1099 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 1100 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,0]=2 1101 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|1,0,0]=2 1102 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,0,0,0,0|1,0,0]=2 1103 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,0,0,0,0|1,0,0]=2 1104 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,0,0,0,0|1,0,0]=2 1105 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,0,0,0,0|1,0,0]=2 1106 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,0,0,0,0|1,0,0]=2 1107 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,0,0,0,0|1,0,0]=2 1108 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|2,0,0]=3 1109 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [1,0,0,0,0,0|2,0,0]=3 1110 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [1,0,0,0,0,0|2,0,0]=3 1111 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [1,0,0,0,0,0|2,0,0]=3 1112 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [1,0,0,0,0,0|2,0,0]=3 1113 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [1,0,0,0,0,0|2,0,0]=3 1114 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 1115 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 1116 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|2,0,0]=3 1117 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,0,0,0,0,0|2,0,0]=3 1118 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [1,0,0,0,0,0|2,0,0]=3 1119 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [1,0,0,0,0,0|2,0,0]=3 1120 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [1,0,0,0,0,0|2,0,0]=3 1121 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [1,0,0,0,0,0|2,0,0]=3 1122 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [1,0,0,0,0,0|2,0,0]=3 1123 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [1,0,0,0,0,0|2,0,0]=3 1124 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [1,0,0,0,0,0|2,0,0]=3 1125 B10R1.3 COc1ccc(nn1)SC 62a_100009819040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1126 B10R1.3 COc1ccc(nn1)SC 62a_200000210301_100009819040 [1,0,0,0,0,0|3,0,0]=4 1127 B10R1.3 COc1ccc(nn1)S[13CH3] 62a_100009819040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1128 B10R1.3 COc1ccc(nn1)S[13CH3] 62a_200025704644_100009819040 [1,0,0,0,0,0|3,0,0]=4 1129 B10R1.3 COc1cnc(cn1)SC 62a_100011998698_200000210301 [1,0,0,0,0,0|3,0,0]=4 1130 B10R1.3 COc1cnc(cn1)SC 62a_200000210301_100011998698 [1,0,0,0,0,0|3,0,0]=4 1131 B10R1.3 COc1cnc(cn1)S[13CH3] 62a_100011998698_200025704644 [1,0,0,0,0,0|3,0,0]=4 1132 B10R1.3 COc1cnc(cn1)S[13CH3] 62a_200025704644_100011998698 [1,0,0,0,0,0|3,0,0]=4 1133 B10R1.3 COc1cnc(nc1)OC 34a_100000099601_200000210301 [1,0,0,0,0,0|3,0,0]=4 1134 B10R1.3 COc1cnc(nc1)OC 7a_100000099601_200000210301 [1,0,0,0,0,0|3,0,0]=4 1135 B10R1.3 COc1cnc(nc1)SC 34a_100000075549_200000210301 [1,0,0,0,0,0|3,0,0]=4 1136 B10R1.3 COc1cnc(nc1)SC 62a_100000069167_200000210301 [1,0,0,0,0,0|3,0,0]=4 1137 B10R1.3 COc1cnc(nc1)SC 62a_200000210301_100000069167 [1,0,0,0,0,0|3,0,0]=4 1138 B10R1.3 COc1cnc(nc1)SC 7a_100000075549_200000210301 [1,0,0,0,0,0|3,0,0]=4 1139 B10R1.3 COc1cnc(nc1)S[13CH3] 62a_100000069167_200025704644 [1,0,0,0,0,0|3,0,0]=4 1140 B10R1.3 COc1cnc(nc1)S[13CH3] 62a_200025704644_100000069167 [1,0,0,0,0,0|3,0,0]=4 1141 B10R1.3 COc1ncc(cn1)O[13CH3] 34a_100000099601_200025704644 [1,0,0,0,0,0|3,0,0]=4 1142 B10R1.3 COc1ncc(cn1)O[13CH3] 7a_100000099601_200025704644 [1,0,0,0,0,0|3,0,0]=4 1143 B10R1.3 COc1ncc(cn1)SC 62a_100000686852_200000210301 [1,0,0,0,0,0|3,0,0]=4 1144 B10R1.3 COc1ncc(cn1)SC 62a_200000210301_100000686852 [1,0,0,0,0,0|3,0,0]=4 1145 B10R1.3 COc1ncc(cn1)S[13CH3] 62a_100000686852_200025704644 [1,0,0,0,0,0|3,0,0]=4 1146 B10R1.3 COc1ncc(cn1)S[13CH3] 62a_200025704644_100000686852 [1,0,0,0,0,0|3,0,0]=4 1147 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,0,0,0,0,0|1,1,1]=4 1148 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|1,1,1]=4 1149 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|1,1,1]=4 1150 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|1,1,0]=3 1151 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|1,1,0]=3 1152 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|1,1,0]=3 1153 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|1,1,0]=3 1154 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|1,1,0]=3 1155 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|1,1,0]=3 1156 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|2,1,0]=4 1157 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|2,1,0]=4 1158 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,0,0,0,0,0|1,1,0]=3 1159 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,0,0,0,0|1,0,0]=2 1160 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,0,0,0,0,0|1,1,0]=3 1161 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,0,0,0,0,0|1,1,0]=3 1162 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,0,0,0,0,0|1,1,0]=3 1163 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,0,0,0,0,0|1,1,0]=3 1164 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [1,0,0,0,0,0|2,1,0]=4 1165 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [1,0,0,0,0,0|2,1,0]=4 1166 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [1,0,0,0,0,0|2,1,0]=4 1167 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [1,0,0,0,0,0|2,1,0]=4 1168 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_100011408404_200025704644 [1,0,0,0,0,0|2,1,0]=4 1169 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_200025704644_100011408404 [1,0,0,0,0,0|2,1,0]=4 1170 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [1,0,0,0,0,0|2,1,0]=4 1171 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [1,0,0,0,0,0|2,1,0]=4 1172 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [1,0,0,0,0,0|2,1,0]=4 1173 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [1,0,0,0,0,0|2,1,0]=4 1174 B10R1.3 CSc1ccc(nc1)SC 62a_100009820866_200000210301 [1,0,0,0,0,0|2,1,0]=4 1175 B10R1.3 CSc1ccc(nc1)SC 62a_100011408404_200000210301 [1,0,0,0,0,0|2,1,0]=4 1176 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100009820866 [1,0,0,0,0,0|2,1,0]=4 1177 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100011408404 [1,0,0,0,0,0|2,1,0]=4 1178 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_100009820866_200025704644 [1,0,0,0,0,0|2,1,0]=4 1179 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_200025704644_100009820866 [1,0,0,0,0,0|2,1,0]=4 1180 B10R1.3 CSc1ncc(cn1)O[13CH3] 34a_100000075549_200025704644 [1,0,0,0,0,0|3,0,0]=4 1181 B10R1.3 CSc1ncc(cn1)O[13CH3] 7a_100000075549_200025704644 [1,0,0,0,0,0|3,0,0]=4 1182 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,0,0,0,0,0|2,0,1]=4 1183 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1184 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1185 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 1186 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 1187 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,0]=2 1188 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|1,0,0]=2 1189 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|2,0,0]=3 1190 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 1191 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 1192 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|2,0,0]=3 1193 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,0,0,0,0,0|2,0,0]=3 1194 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,0,0,0,0,0|1,1,1]=4 1195 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|1,1,1]=4 1196 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|1,1,1]=4 1197 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|1,1,0]=3 1198 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|1,1,0]=3 1199 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|1,1,0]=3 1200 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|1,1,0]=3 1201 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|1,1,0]=3 1202 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|1,1,0]=3 1203 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|2,1,0]=4 1204 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|2,1,0]=4 1205 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [1,0,0,0,0,0|2,1,0]=4 1206 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [1,0,0,0,0,0|2,1,0]=4 1207 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [1,0,0,0,0,0|2,1,0]=4 1208 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [1,0,0,0,0,0|2,1,0]=4 1209 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [1,0,0,0,0,0|2,1,0]=4 1210 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [1,0,0,0,0,0|2,1,0]=4 1211 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [1,0,0,0,0,0|2,1,0]=4 1212 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [1,0,0,0,0,0|2,1,0]=4 1213 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,1,0,0,0,0|1,0,2]=4 1214 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,1,0,0,0,0|1,0,2]=4 1215 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,1,0,0,0,0|1,0,2]=4 1216 B12R1.4 C#Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000140223 [0,1,0,0,0,0|2,0,1]=4 1217 B12R1.4 C#Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000140223 [0,1,0,0,0,0|2,0,1]=4 1218 B12R1.4 C#Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361452 [0,1,0,0,0,0|2,0,1]=4 1219 B12R1.4 C#Cc1ccc(cc1)NC(C)C 34a_100011215031_100000210206 [0,1,0,0,0,0|2,0,1]=4 1220 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,1,0,0,0,0|1,0,2]=4 1221 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,1,0,0,0,0|1,0,2]=4 1222 B12R1.4 C=Cc1ccc(cc1)CC(C)C 271570a_100011290941_100011221366 [0,1,0,0,0,0|1,0,1]=3 1223 B12R1.4 C=Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000034074 [0,1,0,0,0,0|2,0,1]=4 1224 B12R1.4 C=Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000034074 [0,1,0,0,0,0|2,0,1]=4 1225 B12R1.4 C=Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361436 [0,1,0,0,0,0|2,0,1]=4 1226 B12R1.4 C=Cc1ccc(cc1)CN(C)C 271570a_100011290941_100000174694 [0,1,0,0,0,0|2,0,1]=4 1227 B12R1.4 C=Cc1ccc(cc1)NC(C)C 271570a_100011290941_100000219625 [0,1,0,0,0,0|2,0,1]=4 1228 B12R1.4 C=Cc1ccc(cc1)NC(C)C 34a_100011218248_100000210206 [0,1,0,0,0,0|2,0,1]=4 1229 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [0,1,0,0,0,0|2,0,1]=4 1230 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [0,1,0,0,0,0|2,0,1]=4 1231 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [0,1,0,0,0,0|2,0,1]=4 1232 B12R1.4 C=Cc1ccc(cc1)SC(C)C 271570a_100011290941_100009811894 [0,1,0,0,0,0|2,0,1]=4 1233 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000210206_100000748128 [0,1,0,0,0,0|2,0,1]=4 1234 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000748128_100000210206 [0,1,0,0,0,0|2,0,1]=4 1235 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,1,0,0,0,0|2,0,1]=4 1236 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,1,0,0,0,0|2,0,1]=4 1237 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,1,0,0,0,0|2,0,1]=4 1238 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,0,0,0,0|2,0,1]=4 1239 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,0,0,0,0|2,0,1]=4 1240 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,0,0,0,0|0,0,1]=2 1241 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,0,0,0,0|0,0,1]=2 1242 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,1,0,0,0,0|0,1,1]=3 1243 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,1,0,0,0,0|0,1,1]=3 1244 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,1,0,0,0,0|2,0,1]=4 1245 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,0,0|1,0,1]=3 1246 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,0,0|1,0,1]=3 1247 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,1,0,0,0,0|1,1,1]=4 1248 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,1,0,0,0,0|2,0,1]=4 1249 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,1,0,0,0,0|2,0,1]=4 1250 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,1,0,0,0,0|1,1,1]=4 1251 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,1,0,0,0,0|1,1,1]=4 1252 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,1,0,0,0,0|1,1,1]=4 1253 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,1,0,0,0,0|1,0,0]=2 1254 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,1,0,0,0,0|1,0,0]=2 1255 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,1,0,0,0,0|0,1,0]=2 1256 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,1,0,0,0,0|0,1,0]=2 1257 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210206 [0,1,0,0,0,0|3,0,0]=4 1258 B12R1.4 CC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000210206 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.4 CC(C)Nc1ccc(cc1)CO 34a_100011215238_100000210206 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [0,1,0,0,0,0|1,1,0]=3 1261 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [0,1,0,0,0,0|1,1,0]=3 1262 B12R1.4 CC(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210206 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.4 CC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000210206 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.4 CC(C)Oc1ccc(cc1)CO 34a_100000211755_100000210206 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,1,0,0,0,0|2,0,0]=3 1267 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,1,0,0,0,0|2,0,0]=3 1268 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,1,0,0,0,0|1,0,0]=2 1269 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,1,0,0,0,0|1,0,0]=2 1270 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,1,0,0,0,0|1,1,0]=3 1271 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,1,0,0,0,0|1,1,0]=3 1272 B12R1.4 CC(C)Oc1ccc(cn1)O[13CH3] 34a_100009858630_200025704644 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_100000688564_200025704644 [0,1,0,0,0,0|2,1,0]=4 1274 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_200025704644_100000688564 [0,1,0,0,0,0|2,1,0]=4 1275 B12R1.4 CC(C)Oc1ccc(nc1)S[13CH3] 62a_100012354243_200025704644 [0,1,0,0,0,0|2,1,0]=4 1276 B12R1.4 CC(C)Oc1ccc(nc1)S[13CH3] 62a_200025704644_100012354243 [0,1,0,0,0,0|2,1,0]=4 1277 B12R1.4 CC(C)Sc1ccc(cc1)C#N 62a_100000210206_100000184291 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000210206 [0,1,0,0,0,0|3,0,0]=4 1279 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000210206_100000188517 [0,1,0,0,0,0|3,0,0]=4 1280 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100000210206_100010268989 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100010268989_100000210206 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100000210206_100016989417 [0,1,0,0,0,0|3,0,0]=4 1283 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100016989417_100000210206 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000210206_100000690907 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000690907_100000210206 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100000210206_100016988836 [0,1,0,0,0,0|3,0,0]=4 1287 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100016988836_100000210206 [0,1,0,0,0,0|3,0,0]=4 1288 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [0,1,0,0,0,0|1,1,0]=3 1289 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [0,1,0,0,0,0|1,1,0]=3 1290 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|0,0,0]=1 1291 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,1,0,0,0,0|1,0,2]=4 1292 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,1,0,0,0,0|1,0,1]=3 1293 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,1,0,0,0,0|1,0,1]=3 1294 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,1,0,0,0,0|1,0,1]=3 1295 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,1,0,0,0,0|2,0,0]=3 1296 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,1,0,0,0,0|2,0,0]=3 1298 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,1,0,0,0,0|2,0,0]=3 1299 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,1,0,0,0,0|2,0,1]=4 1303 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,1,0,0,0,0|2,0,1]=4 1304 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,1,0,0,0,0|2,0,1]=4 1305 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,1,0,0,0,0|2,0,1]=4 1306 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [0,1,0,0,0,0|2,0,0]=3 1308 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,1,0,0,0,0|2,0,0]=3 1309 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,1,0,0,0,0|2,0,0]=3 1310 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [0,1,0,0,0,0|2,0,0]=3 1311 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [0,1,0,0,0,0|2,0,0]=3 1312 B12R1.4 CCc1ccc(cn1)SC(C)C 62a_100000210206_100009820025 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.4 CCc1ccc(cn1)SC(C)C 62a_100009820025_100000210206 [0,1,0,0,0,0|3,0,0]=4 1314 B12R1.4 CCc1ccc(nc1)CN(C)C 270004a_100102631434_100000069529 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100000210206_100009843584 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100009843584_100000210206 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100000217971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100102631434_100000184898 [0,1,0,0,0,0|3,0,0]=4 1319 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100000217971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1320 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100102631434_100000184898 [0,1,0,0,0,0|3,0,0]=4 1321 B12R1.4 CN(C)Cc1ccc(cc1)C#N 270004a_100102631434_100000211122 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.4 CN(C)Cc1ccc(cc1)C#N 34a_100000217971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.4 CN(C)Cc1ccc(cc1)C=O 2230a_100102631434_100009816848 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.4 CN(C)Cc1ccc(cc1)C=O 269982a_100102631434_100009816848 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,1,0,0,0,0|3,0,0]=4 1326 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,1,0,0,0,0|1,1,0]=3 1329 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,1,0,0,0,0|1,1,0]=3 1330 B12R1.4 CN(C)Cc1ccc(nc1)S[13CH3] 62a_106446545466_200025704644 [0,1,0,0,0,0|2,1,0]=4 1331 B12R1.4 CN(C)Cc1ccc(nc1)S[13CH3] 62a_200025704644_106446545466 [0,1,0,0,0,0|2,1,0]=4 1332 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 2230a_100000217971_200025704644 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 269982a_100000217971_200025704644 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 34a_100000217971_200025704644 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,1,0,0,0,0|1,0,2]=4 1336 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,1,0,0,0,0|2,0,1]=4 1337 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,1,0,0,0,0|2,0,1]=4 1338 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,1,0,0,0,0|1,0,0]=2 1339 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,1,0,0,0,0|1,0,0]=2 1340 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,1,0,0,0,0|2,0,1]=4 1341 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,1,0,0,0,0|2,0,0]=3 1342 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,1,0,0,0,0|2,0,0]=3 1343 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,1,0,0,0,0|2,0,0]=3 1344 B12R1.4 CNc1ccc(cc1)OC(F)F 2230a_100000183591_200000210301 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.4 CNc1ccc(cc1)OC(F)F 34a_100000183591_200000210301 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.4 CNc1ccc(cc1)SC(F)F 2230a_100000189473_200000210301 [0,1,0,0,0,0|3,0,0]=4 1349 B12R1.4 CNc1ccc(cc1)SC(F)F 34a_100000189473_200000210301 [0,1,0,0,0,0|3,0,0]=4 1350 B12R1.4 CNc1ccc(cn1)SC(C)C 62a_100000210206_100000741341 [0,1,0,0,0,0|3,0,0]=4 1351 B12R1.4 CNc1ccc(cn1)SC(C)C 62a_100000741341_100000210206 [0,1,0,0,0,0|3,0,0]=4 1352 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000210206_100000764248 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000764248_100000210206 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,1,0,0,0,0|0,0,2]=3 1355 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,0,0,0,0|0,0,1]=2 1356 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,0,0,0,0|0,0,1]=2 1357 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,0,0,0,0|0,0,1]=2 1358 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,0,0,0,0|1,0,1]=3 1359 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,0,0,0,0|0,0,1]=2 1360 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,1,0,0,0,0|0,0,0]=1 1361 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,1,0,0,0,0|1,0,0]=2 1362 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,1,0,0,0,0|1,0,0]=2 1363 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,1,0,0,0,0|1,0,0]=2 1364 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,1,0,0,0,0|1,0,0]=2 1365 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,1,0,0,0,0|1,0,0]=2 1366 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,1,0,0,0,0|1,0,0]=2 1367 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,1,0,0,0,0|1,0,0]=2 1368 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,0,0|1,0,1]=3 1369 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,0,0|1,0,1]=3 1370 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,0,0|1,0,1]=3 1371 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,0,0|1,0,1]=3 1372 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,0,0|1,0,1]=3 1373 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,0,0|1,0,1]=3 1374 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,1,0,0,0,0|1,0,0]=2 1375 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,1,0,0,0,0|1,0,0]=2 1376 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,1,0,0,0,0|1,0,0]=2 1377 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,1,0,0,0,0|1,0,0]=2 1378 B12R1.4 COc1ccc(cc1)OC(F)F 34a_100011217645_200000210301 [0,1,0,0,0,0|2,0,0]=3 1379 B12R1.4 COc1ccc(cc1)OC(F)F 7a_100011217645_200000210301 [0,1,0,0,0,0|2,0,0]=3 1380 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,1,0,0,0,0|1,0,0]=2 1381 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [0,1,0,0,0,0|1,0,2]=4 1382 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,1,0,0,0,0|1,0,1]=3 1383 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,1,0,0,0,0|1,0,1]=3 1384 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,1,0,0,0,0|1,0,1]=3 1385 B12R1.4 COc1ccc(cn1)CN(C)C 2230a_100102631434_100020631284 [0,1,0,0,0,0|2,0,0]=3 1386 B12R1.4 COc1ccc(cn1)CN(C)C 269982a_100102631434_100020631284 [0,1,0,0,0,0|2,0,0]=3 1387 B12R1.4 COc1ccc(cn1)CN(C)C 270004a_100102631434_100000761633 [0,1,0,0,0,0|2,0,0]=3 1388 B12R1.4 COc1ccc(cn1)OC(C)C 34a_100011934560_100000210206 [0,1,0,0,0,0|2,0,0]=3 1389 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000047065_100000210206 [0,1,0,0,0,0|2,0,0]=3 1390 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000210206_100000047065 [0,1,0,0,0,0|2,0,0]=3 1391 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [0,1,0,0,0,0|1,0,2]=4 1392 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,1,0,0,0,0|1,0,1]=3 1393 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,1,0,0,0,0|1,0,1]=3 1394 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,1,0,0,0,0|1,0,1]=3 1395 B12R1.4 COc1ccc(nc1)CN(C)C 2230a_100102631434_200000757186 [0,1,0,0,0,0|2,0,0]=3 1396 B12R1.4 COc1ccc(nc1)CN(C)C 269982a_100102631434_200000757186 [0,1,0,0,0,0|2,0,0]=3 1397 B12R1.4 COc1ccc(nc1)CN(C)C 270004a_100102631434_100000701244 [0,1,0,0,0,0|2,0,0]=3 1398 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,1,0,0,0,0|2,0,1]=4 1399 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,1,0,0,0,0|2,0,1]=4 1400 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100009858630_200000210301 [0,1,0,0,0,0|2,0,0]=3 1401 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100012002028_100000210206 [0,1,0,0,0,0|2,0,0]=3 1402 B12R1.4 COc1ccc(nc1)OC(F)F 34a_100009876428_200000210301 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000210206_100000744180 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000755202_100000210206 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.4 COc1ccc(nn1)NC(C)C 27a_100138425928_100010231723 [0,1,0,0,0,0|3,0,0]=4 1406 B12R1.4 COc1ccc(nn1)SC(C)C 62a_100000210206_100009819040 [0,1,0,0,0,0|3,0,0]=4 1407 B12R1.4 COc1ccc(nn1)SC(C)C 62a_100009819040_100000210206 [0,1,0,0,0,0|3,0,0]=4 1408 B12R1.4 COc1cnc(cn1)CN(C)C 270004a_100102631434_100000099869 [0,1,0,0,0,0|3,0,0]=4 1409 B12R1.4 COc1cnc(cn1)SC(C)C 62a_100000210206_100011998698 [0,1,0,0,0,0|3,0,0]=4 1410 B12R1.4 COc1cnc(cn1)SC(C)C 62a_100011998698_100000210206 [0,1,0,0,0,0|3,0,0]=4 1411 B12R1.4 COc1cnc(nc1)NC(C)C 27a_100138425928_100000069167 [0,1,0,0,0,0|3,0,0]=4 1412 B12R1.4 COc1cnc(nc1)SC(C)C 62a_100000069167_100000210206 [0,1,0,0,0,0|3,0,0]=4 1413 B12R1.4 COc1cnc(nc1)SC(C)C 62a_100000210206_100000069167 [0,1,0,0,0,0|3,0,0]=4 1414 B12R1.4 COc1ncc(cn1)CN(C)C 270004a_100102631434_100011202752 [0,1,0,0,0,0|3,0,0]=4 1415 B12R1.4 COc1ncc(cn1)OC(C)C 34a_100000099601_100000210206 [0,1,0,0,0,0|3,0,0]=4 1416 B12R1.4 COc1ncc(cn1)OC(C)C 7a_100000099601_100000210206 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.4 COc1ncc(cn1)SC(C)C 62a_100000210206_100000686852 [0,1,0,0,0,0|3,0,0]=4 1418 B12R1.4 COc1ncc(cn1)SC(C)C 62a_100000686852_100000210206 [0,1,0,0,0,0|3,0,0]=4 1419 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,1,0,0,0,0|0,1,2]=4 1420 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,1,0,0,0,0|0,1,1]=3 1421 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,1,0,0,0,0|0,1,1]=3 1422 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,1,0,0,0,0|0,1,1]=3 1423 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,1,0,0,0,0|0,1,1]=3 1424 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,1,0,0,0,0|1,1,1]=4 1425 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,1,0,0,0,0|1,1,1]=4 1426 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,1,0,0,0,0|0,1,1]=3 1427 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,1,0,0,0,0|0,1,0]=2 1428 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,1,0,0,0,0|0,1,0]=2 1429 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,1,0,0,0,0|1,1,0]=3 1430 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,1,0,0,0,0|1,1,0]=3 1431 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,1,0,0,0,0|1,1,0]=3 1432 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,1,0,0,0,0|1,1,0]=3 1433 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,1,0,0,0,0|1,1,0]=3 1434 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,1,0,0,0,0|1,1,0]=3 1435 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,1,0,0,0,0|1,1,0]=3 1436 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,1,0,0,0,0|1,1,0]=3 1437 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,1,0,0,0,0|1,1,0]=3 1438 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,1,0,0,0,0|1,1,1]=4 1439 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,1,0,0,0,0|1,1,1]=4 1440 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,1,0,0,0,0|1,1,1]=4 1441 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,1,0,0,0,0|1,1,1]=4 1442 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [0,1,0,0,0,0|1,1,0]=3 1443 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [0,1,0,0,0,0|1,1,0]=3 1444 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [0,1,0,0,0,0|1,1,0]=3 1445 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,1,0,0,0,0|1,1,1]=4 1446 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,1,0,0,0,0|1,1,1]=4 1447 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,1,0,0,0,0|1,1,0]=3 1448 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,1,0,0,0,0|1,1,0]=3 1449 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,1,0,0,0,0|1,1,0]=3 1450 B12R1.4 CSc1ccc(cc1)OC(F)F 62a_100000179047_200000210301 [0,1,0,0,0,0|2,1,0]=4 1451 B12R1.4 CSc1ccc(cc1)OC(F)F 62a_200000210301_100000179047 [0,1,0,0,0,0|2,1,0]=4 1452 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,1,0,0,0,0|1,1,1]=4 1453 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [0,1,0,0,0,0|1,1,0]=3 1454 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [0,1,0,0,0,0|1,1,0]=3 1455 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [0,1,0,0,0,0|1,1,0]=3 1456 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [0,1,0,0,0,0|1,1,0]=3 1457 B12R1.4 CSc1ccc(cc1)SC(F)F 62a_100000178776_200000210301 [0,1,0,0,0,0|2,1,0]=4 1458 B12R1.4 CSc1ccc(cc1)SC(F)F 62a_200000210301_100000178776 [0,1,0,0,0,0|2,1,0]=4 1459 B12R1.4 CSc1ccc(cn1)CN(C)C 62a_106446545466_200000210301 [0,1,0,0,0,0|2,1,0]=4 1460 B12R1.4 CSc1ccc(cn1)CN(C)C 62a_200000210301_106446545466 [0,1,0,0,0,0|2,1,0]=4 1461 B12R1.4 CSc1ccc(cn1)OC(C)C 62a_100012354243_200000210301 [0,1,0,0,0,0|2,1,0]=4 1462 B12R1.4 CSc1ccc(cn1)OC(C)C 62a_200000210301_100012354243 [0,1,0,0,0,0|2,1,0]=4 1463 B12R1.4 CSc1ccc(cn1)SC(C)C 62a_100000210206_100011408404 [0,1,0,0,0,0|2,1,0]=4 1464 B12R1.4 CSc1ccc(cn1)SC(C)C 62a_100011408404_100000210206 [0,1,0,0,0,0|2,1,0]=4 1465 B12R1.4 CSc1ccc(nc1)NC(C)C 27a_100138425928_100009820866 [0,1,0,0,0,0|2,1,0]=4 1466 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_100000688564_200000210301 [0,1,0,0,0,0|2,1,0]=4 1467 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_200000210301_100000688564 [0,1,0,0,0,0|2,1,0]=4 1468 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100000210206_100009820866 [0,1,0,0,0,0|2,1,0]=4 1469 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100009820866_100000210206 [0,1,0,0,0,0|2,1,0]=4 1470 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,1,0,0,0,0|2,0,1]=4 1471 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,0,0,0,0|2,0,1]=4 1472 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,1,0,0,0,0|2,0,1]=4 1473 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,1,0,0,0,0|2,0,1]=4 1474 B12R1.4 [13CH3]Nc1ccc(cc1)OC(F)F 2230a_100000183591_200025704644 [0,1,0,0,0,0|3,0,0]=4 1475 B12R1.4 [13CH3]Nc1ccc(cc1)OC(F)F 34a_100000183591_200025704644 [0,1,0,0,0,0|3,0,0]=4 1476 B12R1.4 [13CH3]Nc1ccc(cc1)SC(F)F 2230a_100000189473_200025704644 [0,1,0,0,0,0|3,0,0]=4 1477 B12R1.4 [13CH3]Nc1ccc(cc1)SC(F)F 34a_100000189473_200025704644 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,0,0,0,0|1,0,1]=3 1479 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 34a_100011217645_200025704644 [0,1,0,0,0,0|2,0,0]=3 1480 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 7a_100011217645_200025704644 [0,1,0,0,0,0|2,0,0]=3 1481 B12R1.4 [13CH3]Oc1ccc(nc1)OC(F)F 34a_100009876428_200025704644 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,1,0,0,0,0|1,1,1]=4 1483 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,1,0,0,0,0|1,1,1]=4 1484 B12R1.4 [13CH3]Sc1ccc(cc1)OC(F)F 62a_100000179047_200025704644 [0,1,0,0,0,0|2,1,0]=4 1485 B12R1.4 [13CH3]Sc1ccc(cc1)OC(F)F 62a_200025704644_100000179047 [0,1,0,0,0,0|2,1,0]=4 1486 B12R1.4 [13CH3]Sc1ccc(cc1)SC(F)F 62a_100000178776_200025704644 [0,1,0,0,0,0|2,1,0]=4 1487 B12R1.4 [13CH3]Sc1ccc(cc1)SC(F)F 62a_200025704644_100000178776 [0,1,0,0,0,0|2,1,0]=4 1488 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,1,0,0,0,0|1,0,2]=4 1489 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,1,0,0,0,0|1,0,2]=4 1490 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,1,0,0,0,0|1,0,2]=4 1491 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [0,1,0,0,0,0|1,0,1]=3 1492 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [0,1,0,0,0,0|2,0,1]=4 1493 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [0,1,0,0,0,0|2,0,1]=4 1494 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [0,1,0,0,0,0|2,0,1]=4 1495 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [0,1,0,0,0,0|2,0,1]=4 1496 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [0,1,0,0,0,0|2,0,1]=4 1497 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,1,0,0,0,0|2,0,1]=4 1498 B12R1.5 C=Cc1ccc(cc1)C(N)CO 271570a_100011290941_100000734186 [0,1,0,0,0,0|2,0,1]=4 1499 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [0,1,0,0,0,0|1,0,1]=3 1500 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [0,1,0,0,0,0|2,0,1]=4 1501 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [0,1,0,0,0,0|2,0,1]=4 1502 B12R1.5 C=Cc1ccc(cc1)[C@@H](N)CC 271570a_100011290941_100025736560 [0,1,0,0,0,0|1,0,1]=3 1503 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|2,0,1]=4 1504 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 1505 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 1506 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,1,0,0,0,0|1,1,1]=4 1507 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,1,0,0,0,0|1,1,1]=4 1508 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|1,0,0]=2 1509 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,1,0,0,0,0|2,0,1]=4 1511 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,1,0,0,0,0|1,0,1]=3 1512 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,1,0,0,0,0|2,0,1]=4 1513 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,1,0,0,0,0|0,0,1]=2 1514 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,1,0,0,0,0|0,0,1]=2 1515 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,1,0,0,0,0|0,0,1]=2 1516 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,1,0,0,0,0|0,0,1]=2 1517 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,1,0,0,0,0|0,0,1]=2 1518 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,1,0,0,0,0|0,1,1]=3 1519 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,1,0,0,0,0|0,1,1]=3 1520 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,1,0,0,0,0|0,1,1]=3 1521 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,1,0,0,0,0|0,1,1]=3 1522 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,1,0,0,0,0|0,1,1]=3 1523 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,1,0,0,0,0|1,1,1]=4 1524 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,1,0,0,0,0|1,1,1]=4 1525 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,1,0,0,0,0|1,1,1]=4 1526 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,1,0,0,0,0|1,1,1]=4 1527 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,1,0,0,0,0|1,0,0]=2 1528 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,1,0,0,0,0|1,0,0]=2 1529 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,1,0,0,0,0|1,0,0]=2 1530 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,1,0,0,0,0|1,0,0]=2 1531 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,1,0,0,0,0|1,0,0]=2 1532 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,1,0,0,0,0|1,0,0]=2 1533 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|0,0,0]=1 1534 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|0,0,0]=1 1535 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|0,0,0]=1 1536 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|0,0,0]=1 1537 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,1,0,0,0,0|0,1,0]=2 1538 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,1,0,0,0,0|0,1,0]=2 1539 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,1,0,0,0,0|0,1,0]=2 1540 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,1,0,0,0,0|0,1,0]=2 1541 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|0,0,0]=1 1542 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|0,0,0]=1 1543 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|0,1,0]=2 1544 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|0,1,0]=2 1545 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|0,1,0]=2 1546 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|0,1,0]=2 1547 B12R1.5 CCN(C)c1ccc(cc1)C#N 269982a_100000218877_200000210301 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.5 CCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000204670 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.5 CCN(C)c1ccc(cc1)C#N 34a_100000218877_200000210301 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.5 CCN(C)c1ccc(cc1)C#N 34a_100000739737_100000210202 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.5 CCN(C)c1ccc(cc1)C#N 7a_100000218877_200000210301 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,1,0,0,0,0|1,0,0]=2 1553 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,1,0,0,0,0|1,0,0]=2 1554 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,1,0,0,0,0|1,0,0]=2 1555 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 269982a_100000218877_200025704644 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 34a_100000218877_200025704644 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.5 CCN([13CH3])c1ccc(cc1)C#N 7a_100000218877_200025704644 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,1,0,0,0,0|0,1,0]=2 1559 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,1,0,0,0,0|0,1,0]=2 1560 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,1,0,0,0,0|0,1,0]=2 1561 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,1,0,0,0,0|0,1,0]=2 1562 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,1,0,0,0,0|2,0,1]=4 1563 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,1,0,0,0,0|2,0,1]=4 1564 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,1,0,0,0,0|2,0,1]=4 1565 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,1,0,0,0,0|2,0,1]=4 1566 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,1,0,0,0,0|2,0,1]=4 1567 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,1,0,0,0,0|2,0,0]=3 1568 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,1,0,0,0,0|2,0,0]=3 1569 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,1,0,0,0,0|2,0,0]=3 1570 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,1,0,0,0,0|2,0,0]=3 1571 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,1,0,0,0,0|2,0,0]=3 1572 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|2,0,0]=3 1573 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|2,0,0]=3 1574 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|2,0,0]=3 1575 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|2,0,0]=3 1576 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,1,0,0,0,0|2,0,1]=4 1577 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,1,0,0,0,0|2,0,1]=4 1578 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,1,0,0,0,0|2,0,1]=4 1579 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,1,0,0,0,0|2,0,1]=4 1580 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,1,0,0,0,0|2,0,1]=4 1581 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,1,0,0,0,0|1,0,1]=3 1582 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,1,0,0,0,0|1,0,1]=3 1583 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,1,0,0,0,0|1,0,1]=3 1584 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,1,0,0,0,0|1,0,1]=3 1585 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,1,0,0,0,0|1,0,1]=3 1586 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,1,0,0,0,0|1,0,1]=3 1587 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,1,0,0,0,0|1,0,1]=3 1588 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,1,0,0,0,0|1,0,1]=3 1589 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,1,0,0,0,0|1,1,1]=4 1590 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,1,0,0,0,0|1,1,1]=4 1591 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,1,0,0,0,0|1,1,1]=4 1592 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,1,0,0,0,0|1,1,1]=4 1593 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,1,0,0,0,0|1,1,1]=4 1594 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,1,0,0,0,0|1,1,1]=4 1595 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,1,0,0,0,0|1,1,1]=4 1596 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,1,0,0,0,0|1,1,1]=4 1597 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,1,0,0,0,0|2,0,1]=4 1598 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,1,0,0,0,0|2,0,1]=4 1599 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,1,0,0,0,0|2,0,1]=4 1600 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,1,0,0,0,0|2,0,1]=4 1601 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [0,1,0,0,0,0|3,0,0]=4 1602 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|1,0,0]=2 1604 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,1,0,0,0,0|1,1,0]=3 1605 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,1,0,0,0,0|1,1,0]=3 1606 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,1,0,0,0,0|1,1,0]=3 1607 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,1,0,0,0,0|1,1,0]=3 1608 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,1,0,0,0,0|1,1,0]=3 1609 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,1,0,0,0,0|1,1,0]=3 1610 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [0,1,0,0,0,0|2,0,0]=3 1611 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|1,0,0]=2 1614 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 1615 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 1616 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,1,0,0,0,0|2,0,0]=3 1617 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,1,0,0,0,0|1,0,1]=3 1618 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,1,0,0,0,0|1,0,1]=3 1619 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,1,0,0,0,0|1,0,1]=3 1620 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,1,0,0,0,0|1,0,1]=3 1621 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,1,0,0,0,0|1,1,1]=4 1622 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,1,0,0,0,0|1,1,1]=4 1623 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,1,0,0,0,0|1,1,1]=4 1624 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,1,0,0,0,0|1,1,1]=4 1625 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,1,0,0,0,0|2,0,1]=4 1626 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,1,0,0,0,0|2,0,1]=4 1627 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,1,0,0,0,0|2,0,1]=4 1628 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,1,0,0,0,0|2,0,1]=4 1629 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,1,0,0,0,0|3,0,0]=4 1630 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|1,0,0]=2 1631 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|1,0,0]=2 1632 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,1,0,0,0,0|1,1,0]=3 1633 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,1,0,0,0,0|1,1,0]=3 1634 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,1,0,0,0,0|1,1,0]=3 1635 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,1,0,0,0,0|1,1,0]=3 1636 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|2,0,1]=4 1639 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,0,0,0,0|2,0,1]=4 1640 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,1,0,0,0,0|1,0,1]=3 1641 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,1,0,0,0,0|1,0,1]=3 1642 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,1,0,0,0,0|1,0,1]=3 1643 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,1,0,0,0,0|1,0,1]=3 1644 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,1,0,0,0,0|1,0,1]=3 1645 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,1,0,0,0,0|2,0,1]=4 1646 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|1,0,0]=2 1647 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|1,0,0]=2 1648 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|1,0,0]=2 1649 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|1,0,0]=2 1650 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|1,0,0]=2 1651 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|1,0,0]=2 1652 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|1,0,0]=2 1653 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|1,0,0]=2 1654 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 1655 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 1656 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|1,0,0]=2 1657 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,1,0,0,0,0|1,1,1]=4 1658 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,1,0,0,0,0|1,1,1]=4 1659 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,1,0,0,0,0|1,1,1]=4 1660 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,1,0,0,0,0|1,1,1]=4 1661 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,1,0,0,0,0|1,1,1]=4 1662 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,1,0,0,0,0|1,1,1]=4 1663 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,1,0,0,0,0|1,1,1]=4 1664 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,1,0,0,0,0|1,1,0]=3 1665 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_106722365845_200000210301 [0,1,0,0,0,0|1,1,1]=4 1666 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_200000210301_106722365845 [0,1,0,0,0,0|1,1,1]=4 1667 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,1,0,0,0,0|1,1,0]=3 1668 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,1,0,0,0,0|1,1,0]=3 1669 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|1,1,0]=3 1670 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|1,1,0]=3 1671 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|1,1,0]=3 1672 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|1,1,0]=3 1673 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [0,1,0,0,0,0|3,0,0]=4 1674 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [0,1,0,0,0,0|3,0,0]=4 1675 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,1,0,0,0,0|3,0,0]=4 1676 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,1,0,0,0,0|3,0,0]=4 1677 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,0,0,0,0|2,0,1]=4 1678 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,1,0,0,0,0|1,0,1]=3 1679 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,1,0,0,0,0|1,0,1]=3 1680 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,1,0,0,0,0|1,0,1]=3 1681 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,1,0,0,0,0|1,0,1]=3 1682 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,1,0,0,0,0|2,0,1]=4 1683 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|1,0,0]=2 1684 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,1,0,0,0,0|1,1,1]=4 1685 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,1,0,0,0,0|1,1,1]=4 1686 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,1,0,0,0,0|1,1,1]=4 1687 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,1,0,0,0,0|1,1,1]=4 1688 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_106722365845_200025704644 [0,1,0,0,0,0|1,1,1]=4 1689 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_200025704644_106722365845 [0,1,0,0,0,0|1,1,1]=4 1690 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,1,0,0,0,0|1,1,0]=3 1691 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,1,0,0,0,0|1,1,0]=3 1692 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|1,1,0]=3 1693 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|1,1,0]=3 1694 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|1,1,0]=3 1695 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|1,1,0]=3 1696 B12R1.71 C#CCNc1ccc(cc1)CC 2230a_100000211069_100000038162 [0,1,0,0,0,0|1,0,2]=4 1697 B12R1.71 C#CCNc1ccc(cc1)CC 34a_100000211069_100000184674 [0,1,0,0,0,0|1,0,2]=4 1698 B12R1.71 C#CCNc1ccc(cc1)OC 34a_100000184247_100000184674 [0,1,0,0,0,0|0,0,2]=3 1699 B12R1.71 C#CCNc1ccc(cc1)SC 34a_100000212337_100000184674 [0,1,0,0,0,0|0,1,2]=4 1700 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,1,0,0,0,0|1,0,2]=4 1701 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,1,0,0,0,0|1,0,2]=4 1702 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,1,0,0,0,0|1,0,2]=4 1703 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,1,0,0,0,0|1,0,2]=4 1704 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,1,0,0,0,0|1,0,2]=4 1705 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,1,0,0,0,0|1,0,2]=4 1706 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,1,0,0,0,0|1,0,2]=4 1707 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,1,0,0,0,0|0,0,2]=3 1708 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,1,0,0,0,0|0,1,2]=4 1709 B12R1.71 C#CCOc1ccc(cn1)OC 34a_100012002028_100000184674 [0,1,0,0,0,0|1,0,2]=4 1710 B12R1.71 C#CCOc1ccc(nc1)OC 34a_100011934560_100000184674 [0,1,0,0,0,0|1,0,2]=4 1711 B12R1.71 C#CCSc1ccc(cc1)CC 62a_100000038162_100011215824 [0,1,0,0,0,0|1,0,2]=4 1712 B12R1.71 C#CCSc1ccc(cc1)NC 62a_100000038162_100000743151 [0,1,0,0,0,0|1,0,2]=4 1713 B12R1.71 C#CCSc1ccc(cc1)OC 62a_100000038162_100000171711 [0,1,0,0,0,0|0,0,2]=3 1714 B12R1.71 C#CCSc1ccc(cc1)SC 62a_100000038162_100011263217 [0,1,0,0,0,0|0,1,2]=4 1715 B12R1.71 C#CCSc1ccc(cn1)OC 62a_100000038162_100000744180 [0,1,0,0,0,0|1,0,2]=4 1716 B12R1.71 C#CCSc1ccc(nc1)OC 62a_100000038162_100000047065 [0,1,0,0,0,0|1,0,2]=4 1717 B12R1.71 C#Cc1ccc(cc1)CNCC 207a_100015525214_100011361452 [0,1,0,0,0,0|1,0,1]=3 1718 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015199678_100000210202 [0,1,0,0,0,0|1,0,1]=3 1719 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015525214_100000140223 [0,1,0,0,0,0|1,0,1]=3 1720 B12R1.71 C#Cc1ccc(cc1)CNCC 270004a_100015525214_100011361452 [0,1,0,0,0,0|1,0,1]=3 1721 B12R1.71 C#Cc1ccc(cc1)CNCC 34a_100015199678_100000210202 [0,1,0,0,0,0|1,0,1]=3 1722 B12R1.71 C#Cc1ccc(cc1)CNCF 34a_100015199678_100015361967 [0,1,0,0,0,0|2,0,1]=4 1723 B12R1.71 C#Cc1ccc(cc1)COCC 34a_100000054647_100000210202 [0,1,0,0,0,0|1,0,1]=3 1724 B12R1.71 C#Cc1ccc(cc1)COCC 34a_100121572206_100000140223 [0,1,0,0,0,0|1,0,1]=3 1725 B12R1.71 C#Cc1ccc(cc1)COCC 7a_100000054647_100000210202 [0,1,0,0,0,0|1,0,1]=3 1726 B12R1.71 C#Cc1ccc(cc1)COCF 34a_100000054647_100015361967 [0,1,0,0,0,0|2,0,1]=4 1727 B12R1.71 C#Cc1ccc(cc1)COCF 7a_100000054647_100015361967 [0,1,0,0,0,0|2,0,1]=4 1728 B12R1.71 C#Cc1ccc(cc1)CSCC 62a_100000210202_100000140223 [0,1,0,0,0,0|1,0,1]=3 1729 B12R1.71 C#Cc1ccc(cc1)CSCF 62a_100015361967_100000140223 [0,1,0,0,0,0|2,0,1]=4 1730 B12R1.71 C#Cc1ccc(cc1)NCCC 34a_100011215031_100000210303 [0,1,0,0,0,0|1,0,1]=3 1731 B12R1.71 C#Cc1ccc(cc1)NCCF 34a_100011215031_100011217306 [0,1,0,0,0,0|2,0,1]=4 1732 B12R1.71 C#Cc1ccc(cc1)NCCO 34a_100011215031_100000211926 [0,1,0,0,0,0|2,0,1]=4 1733 B12R1.71 C#Cc1ccc(cc1)NCSC 34a_100011215031_100011218213 [0,1,0,0,0,0|2,0,1]=4 1734 B12R1.71 C#Cc1ccc(nc1)OCCC 34a_200009884252_100000210303 [0,1,0,0,0,0|2,0,1]=4 1735 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,1,0,0,0,0|1,0,2]=4 1736 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,1,0,0,0,0|1,0,2]=4 1737 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,1,0,0,0,0|0,0,2]=3 1738 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,1,0,0,0,0|0,1,2]=4 1739 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,1,0,0,0,0|1,0,2]=4 1740 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,1,0,0,0,0|1,0,2]=4 1741 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,1,0,0,0,0|1,0,2]=4 1742 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,1,0,0,0,0|0,0,2]=3 1743 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,1,0,0,0,0|0,1,2]=4 1744 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,1,0,0,0,0|0,1,2]=4 1745 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,1,0,0,0,0|0,1,2]=4 1746 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,1,0,0,0,0|0,1,2]=4 1747 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,1,0,0,0,0|0,1,2]=4 1748 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,1,0,0,0,0|1,0,2]=4 1749 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,1,0,0,0,0|1,0,2]=4 1750 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,1,0,0,0,0|1,0,2]=4 1751 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,1,0,0,0,0|1,0,2]=4 1752 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,1,0,0,0,0|1,0,2]=4 1753 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,1,0,0,0,0|1,0,2]=4 1754 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,1,0,0,0,0|0,0,2]=3 1755 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,1,0,0,0,0|0,1,2]=4 1756 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,1,0,0,0,0|0,1,2]=4 1757 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,1,0,0,0,0|1,0,2]=4 1758 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,1,0,0,0,0|1,0,2]=4 1759 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,1,0,0,0,0|1,0,2]=4 1760 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,1,0,0,0,0|1,0,2]=4 1761 B12R1.71 C=Cc1ccc(cc1)CCC#N 271570a_100011290941_100011216407 [0,1,0,0,0,0|1,0,2]=4 1762 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,1,0,0,0,0|1,0,2]=4 1763 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,1,0,0,0,0|1,0,1]=3 1764 B12R1.71 C=Cc1ccc(cc1)CCCN 271570a_100011290941_100011297623 [0,1,0,0,0,0|1,0,1]=3 1765 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,1,0,0,0,0|1,0,1]=3 1766 B12R1.71 C=Cc1ccc(cc1)CCNC 2230a_106832991635_100000142037 [0,1,0,0,0,0|1,0,1]=3 1767 B12R1.71 C=Cc1ccc(cc1)CCNC 271570a_100011290941_100000752880 [0,1,0,0,0,0|1,0,1]=3 1768 B12R1.71 C=Cc1ccc(cc1)CCNC 34a_100102657272_100000142037 [0,1,0,0,0,0|1,0,1]=3 1769 B12R1.71 C=Cc1ccc(cc1)CCNC 7a_106832991635_100000142037 [0,1,0,0,0,0|1,0,1]=3 1770 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [0,1,0,0,0,0|1,0,1]=3 1771 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [0,1,0,0,0,0|1,0,1]=3 1772 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_100000142037_200000210301 [0,1,0,0,0,0|1,0,1]=3 1773 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_200000210301_100000142037 [0,1,0,0,0,0|1,0,1]=3 1774 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_100000142037_200025704644 [0,1,0,0,0,0|1,0,1]=3 1775 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100000142037 [0,1,0,0,0,0|1,0,1]=3 1776 B12R1.71 C=Cc1ccc(cc1)CNCC 2230a_100015525214_100000034074 [0,1,0,0,0,0|1,0,1]=3 1777 B12R1.71 C=Cc1ccc(cc1)CNCC 270004a_100015525214_100011361436 [0,1,0,0,0,0|1,0,1]=3 1778 B12R1.71 C=Cc1ccc(cc1)CNCC 271570a_100011290941_100000187385 [0,1,0,0,0,0|1,0,1]=3 1779 B12R1.71 C=Cc1ccc(cc1)CNCC 34a_200011934891_100000210202 [0,1,0,0,0,0|1,0,1]=3 1780 B12R1.71 C=Cc1ccc(cc1)CNCF 34a_200011934891_100015361967 [0,1,0,0,0,0|2,0,1]=4 1781 B12R1.71 C=Cc1ccc(cc1)COCC 271570a_100011290941_100000758564 [0,1,0,0,0,0|1,0,1]=3 1782 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100000073583_100000210202 [0,1,0,0,0,0|1,0,1]=3 1783 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100121572206_100000034074 [0,1,0,0,0,0|1,0,1]=3 1784 B12R1.71 C=Cc1ccc(cc1)COCC 7a_100000073583_100000210202 [0,1,0,0,0,0|1,0,1]=3 1785 B12R1.71 C=Cc1ccc(cc1)COCF 34a_100000073583_100015361967 [0,1,0,0,0,0|2,0,1]=4 1786 B12R1.71 C=Cc1ccc(cc1)COCF 7a_100000073583_100015361967 [0,1,0,0,0,0|2,0,1]=4 1787 B12R1.71 C=Cc1ccc(cc1)CSCC 62a_100000034074_100000210202 [0,1,0,0,0,0|1,0,1]=3 1788 B12R1.71 C=Cc1ccc(cc1)CSCC 62a_100000210202_100000034074 [0,1,0,0,0,0|1,0,1]=3 1789 B12R1.71 C=Cc1ccc(cc1)CSCF 62a_100000034074_100015361967 [0,1,0,0,0,0|2,0,1]=4 1790 B12R1.71 C=Cc1ccc(cc1)CSCF 62a_100015361967_100000034074 [0,1,0,0,0,0|2,0,1]=4 1791 B12R1.71 C=Cc1ccc(cc1)NCCC 34a_100011218248_100000210303 [0,1,0,0,0,0|1,0,1]=3 1792 B12R1.71 C=Cc1ccc(cc1)NCCF 34a_100011218248_100011217306 [0,1,0,0,0,0|2,0,1]=4 1793 B12R1.71 C=Cc1ccc(cc1)NCCO 34a_100011218248_100000211926 [0,1,0,0,0,0|2,0,1]=4 1794 B12R1.71 C=Cc1ccc(cc1)NCSC 34a_100011218248_100011218213 [0,1,0,0,0,0|2,0,1]=4 1795 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,1,0,0,0,0|1,0,1]=3 1796 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,1,0,0,0,0|1,0,1]=3 1797 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,1,0,0,0,0|1,0,1]=3 1798 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,1,0,0,0,0|2,0,1]=4 1799 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,1,0,0,0,0|2,0,1]=4 1800 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,1,0,0,0,0|2,0,1]=4 1801 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,1,0,0,0,0|2,0,1]=4 1802 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,1,0,0,0,0|2,0,1]=4 1803 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,1,0,0,0,0|2,0,1]=4 1804 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,1,0,0,0,0|2,0,1]=4 1805 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,1,0,0,0,0|2,0,1]=4 1806 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,1,0,0,0,0|2,0,1]=4 1807 B12R1.71 C=Cc1ccc(cc1)SCCC 271570a_100011290941_200009811899 [0,1,0,0,0,0|1,0,1]=3 1808 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000210303_100000748128 [0,1,0,0,0,0|1,0,1]=3 1809 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000748128_100000210303 [0,1,0,0,0,0|1,0,1]=3 1810 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100000748128_100011217306 [0,1,0,0,0,0|2,0,1]=4 1811 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100011217306_100000748128 [0,1,0,0,0,0|2,0,1]=4 1812 B12R1.71 C=Cc1ccc(cc1)SCCN 271570a_100011290941_100000184645 [0,1,0,0,0,0|2,0,1]=4 1813 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000211926_100000748128 [0,1,0,0,0,0|2,0,1]=4 1814 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000748128_100000211926 [0,1,0,0,0,0|2,0,1]=4 1815 B12R1.71 C=Cc1ccc(cc1)SCOC 62a_100000748128_100000766300 [0,1,0,0,0,0|2,0,1]=4 1816 B12R1.71 C=Cc1ccc(cc1)SCOC 62a_100000766300_100000748128 [0,1,0,0,0,0|2,0,1]=4 1817 B12R1.71 C=Cc1ccc(cc1)SCSC 62a_100000748128_100011218213 [0,1,0,0,0,0|2,0,1]=4 1818 B12R1.71 C=Cc1ccc(cc1)SCSC 62a_100011218213_100000748128 [0,1,0,0,0,0|2,0,1]=4 1819 B12R1.71 C=Cc1ccc(cn1)COCC 271570a_100011290941_100011206209 [0,1,0,0,0,0|2,0,1]=4 1820 B12R1.71 C=Cc1ccc(cn1)OCCC 271570a_100011290941_100000719977 [0,1,0,0,0,0|2,0,1]=4 1821 B12R1.71 C=Cc1ccc(nc1)OCCC 271570a_100011290941_100011465619 [0,1,0,0,0,0|2,0,1]=4 1822 B12R1.71 C=Cc1ccc(nc1)SCCC 62a_100000210303_103436540071 [0,1,0,0,0,0|2,0,1]=4 1823 B12R1.71 C=Cc1ccc(nc1)SCCC 62a_103436540071_100000210303 [0,1,0,0,0,0|2,0,1]=4 1824 B12R1.71 CC=NNc1ccc(cc1)CC 4a_100015204395_200000210099 [0,1,0,0,0,0|2,0,1]=4 1825 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,1,0,0,0,0|1,0,1]=3 1826 B12R1.71 CC=NNc1ccc(cc1)SC 4a_100000006515_200000210099 [0,1,0,0,0,0|1,1,1]=4 1827 B12R1.71 CC=NNc1ccc(nc1)OC 4a_100102564821_200000210099 [0,1,0,0,0,0|2,0,1]=4 1828 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,1,0,0,0,0|2,0,0]=3 1829 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,1,0,0,0,0|2,0,0]=3 1830 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,1,0,0,0,0|1,0,0]=2 1831 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,1,0,0,0,0|2,0,0]=3 1832 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,1,0,0,0,0|2,0,0]=3 1833 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,1,0,0,0,0|2,0,0]=3 1834 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,1,0,0,0,0|1,0,0]=2 1835 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,1,0,0,0,0|1,0,0]=2 1836 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,1,0,0,0,0|1,0,0]=2 1837 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,1,0,0,0,0|2,0,0]=3 1838 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,1,0,0,0,0|1,0,0]=2 1839 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,1,0,0,0,0|1,0,0]=2 1840 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,1,0,0,0,0|0,0,0]=1 1841 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,1,0,0,0,0|0,0,0]=1 1842 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,1,0,0,0,0|0,0,0]=1 1843 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,1,0,0,0,0|0,0,0]=1 1844 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,1,0,0,0,0|0,0,0]=1 1845 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,1,0,0,0,0|0,1,0]=2 1846 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,1,0,0,0,0|0,1,0]=2 1847 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,1,0,0,0,0|0,1,0]=2 1848 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,1,0,0,0,0|0,1,0]=2 1849 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,1,0,0,0,0|0,1,0]=2 1850 B12R1.71 CCCCc1ccc(cn1)C#N 271570a_100020621405_100000241038 [0,1,0,0,0,0|3,0,0]=4 1851 B12R1.71 CCCCc1ccc(cn1)C=O 271570a_100020621405_100000766901 [0,1,0,0,0,0|3,0,0]=4 1852 B12R1.71 CCCCc1ccc(cn1)CC 271570a_100020621405_100009843584 [0,1,0,0,0,0|2,0,0]=3 1853 B12R1.71 CCCCc1ccc(cn1)CN 271570a_100020621405_100009817727 [0,1,0,0,0,0|3,0,0]=4 1854 B12R1.71 CCCCc1ccc(cn1)CO 271570a_100020621405_100009816760 [0,1,0,0,0,0|3,0,0]=4 1855 B12R1.71 CCCCc1ccc(cn1)NC 271570a_100020621405_100000764248 [0,1,0,0,0,0|2,0,0]=3 1856 B12R1.71 CCCCc1ccc(cn1)NN 271570a_100020621405_100000119030 [0,1,0,0,0,0|3,0,0]=4 1857 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [0,1,0,0,0,0|1,0,0]=2 1858 B12R1.71 CCCCc1ccc(cn1)SC 271570a_100020621405_100009820866 [0,1,0,0,0,0|1,1,0]=3 1859 B12R1.71 CCCCc1ccc(nc1)C#N 271570a_100020621405_100000760455 [0,1,0,0,0,0|3,0,0]=4 1860 B12R1.71 CCCCc1ccc(nc1)C=O 271570a_100020621405_100000754260 [0,1,0,0,0,0|3,0,0]=4 1861 B12R1.71 CCCCc1ccc(nc1)CC 271570a_100020621405_100009820025 [0,1,0,0,0,0|2,0,0]=3 1862 B12R1.71 CCCCc1ccc(nc1)CN 271570a_100020621405_100015188789 [0,1,0,0,0,0|3,0,0]=4 1863 B12R1.71 CCCCc1ccc(nc1)CO 271570a_100020621405_100000754261 [0,1,0,0,0,0|3,0,0]=4 1864 B12R1.71 CCCCc1ccc(nc1)NC 271570a_100020621405_100000741341 [0,1,0,0,0,0|2,0,0]=3 1865 B12R1.71 CCCCc1ccc(nc1)NN 271570a_100020621405_100000750576 [0,1,0,0,0,0|3,0,0]=4 1866 B12R1.71 CCCCc1ccc(nc1)OC 271570a_100020621405_100000047065 [0,1,0,0,0,0|1,0,0]=2 1867 B12R1.71 CCCCc1ccc(nc1)SC 271570a_100020621405_100011408404 [0,1,0,0,0,0|1,1,0]=3 1868 B12R1.71 CCCCc1ccc(nn1)NC 271570a_100020621405_100000215272 [0,1,0,0,0,0|3,0,0]=4 1869 B12R1.71 CCCCc1ccc(nn1)OC 271570a_100020621405_100009819040 [0,1,0,0,0,0|2,0,0]=3 1870 B12R1.71 CCCCc1cnc(cn1)NC 271570a_100020621405_100012000640 [0,1,0,0,0,0|3,0,0]=4 1871 B12R1.71 CCCCc1cnc(cn1)OC 271570a_100020621405_100011998698 [0,1,0,0,0,0|2,0,0]=3 1872 B12R1.71 CCCCc1cnc(cn1)SC 271570a_100020621405_200012356277 [0,1,0,0,0,0|2,1,0]=4 1873 B12R1.71 CCCCc1cnc(nc1)NC 271570a_100020621405_100000697329 [0,1,0,0,0,0|3,0,0]=4 1874 B12R1.71 CCCCc1cnc(nc1)OC 271570a_100020621405_100000686852 [0,1,0,0,0,0|2,0,0]=3 1875 B12R1.71 CCCCc1cnc(nc1)SC 271570a_100020621405_100000722549 [0,1,0,0,0,0|2,1,0]=4 1876 B12R1.71 CCCCc1ncc(cn1)CC 271570a_100020621405_100000033099 [0,1,0,0,0,0|3,0,0]=4 1877 B12R1.71 CCCCc1ncc(cn1)OC 271570a_100020621405_100000069167 [0,1,0,0,0,0|2,0,0]=3 1878 B12R1.71 CCCCc1ncc(cn1)SC 271570a_100020621405_100000718988 [0,1,0,0,0,0|2,1,0]=4 1879 B12R1.71 CCCNc1ccc(cc1)C#N 34a_100000185469_100000210303 [0,1,0,0,0,0|2,0,0]=3 1880 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,1,0,0,0,0|1,0,0]=2 1881 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,1,0,0,0,0|1,0,0]=2 1882 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1883 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1884 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,1,0,0,0,0|0,0,0]=1 1885 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,1,0,0,0,0|0,1,0]=2 1886 B12R1.71 CCCNc1ccc(nn1)SC 62a_200000210301_100000215239 [0,1,0,0,0,0|2,1,0]=4 1887 B12R1.71 CCCNc1ccc(nn1)S[13CH3] 62a_200025704644_100000215239 [0,1,0,0,0,0|2,1,0]=4 1888 B12R1.71 CCCNc1ncc(cn1)NC 27a_100102657272_200011938755 [0,1,0,0,0,0|3,0,0]=4 1889 B12R1.71 CCCNc1ncc(cn1)SC 62a_200000210301_200011938755 [0,1,0,0,0,0|2,1,0]=4 1890 B12R1.71 CCCNc1ncc(cn1)SC 62a_200011938755_200000210301 [0,1,0,0,0,0|2,1,0]=4 1891 B12R1.71 CCCNc1ncc(cn1)S[13CH3] 62a_200011938755_200025704644 [0,1,0,0,0,0|2,1,0]=4 1892 B12R1.71 CCCNc1ncc(cn1)S[13CH3] 62a_200025704644_200011938755 [0,1,0,0,0,0|2,1,0]=4 1893 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,1,0,0,0,0|2,0,0]=3 1894 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,1,0,0,0,0|2,0,0]=3 1895 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,1,0,0,0,0|1,0,0]=2 1896 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,1,0,0,0,0|1,0,0]=2 1897 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,1,0,0,0,0|2,0,0]=3 1898 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,1,0,0,0,0|2,0,0]=3 1899 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,1,0,0,0,0|1,0,0]=2 1900 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,1,0,0,0,0|1,0,0]=2 1901 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,1,0,0,0,0|1,0,0]=2 1902 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,1,0,0,0,0|0,0,0]=1 1903 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,1,0,0,0,0|0,0,0]=1 1904 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,1,0,0,0,0|0,0,0]=1 1905 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,1,0,0,0,0|0,0,0]=1 1906 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,1,0,0,0,0|0,0,0]=1 1907 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,1,0,0,0,0|0,1,0]=2 1908 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,1,0,0,0,0|0,1,0]=2 1909 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,1,0,0,0,0|0,1,0]=2 1910 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,1,0,0,0,0|0,1,0]=2 1911 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,1,0,0,0,0|0,1,0]=2 1912 B12R1.71 CCCOc1ccc(cn1)CN 34a_100000757128_100000210303 [0,1,0,0,0,0|3,0,0]=4 1913 B12R1.71 CCCOc1ccc(cn1)OC 34a_100012002028_100000210303 [0,1,0,0,0,0|1,0,0]=2 1914 B12R1.71 CCCOc1ccc(cn1)SC 62a_100011465619_200000210301 [0,1,0,0,0,0|1,1,0]=3 1915 B12R1.71 CCCOc1ccc(cn1)SC 62a_200000210301_100011465619 [0,1,0,0,0,0|1,1,0]=3 1916 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_100011465619_200025704644 [0,1,0,0,0,0|1,1,0]=3 1917 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011465619 [0,1,0,0,0,0|1,1,0]=3 1918 B12R1.71 CCCOc1ccc(nc1)C#N 34a_100011934750_100000210303 [0,1,0,0,0,0|3,0,0]=4 1919 B12R1.71 CCCOc1ccc(nc1)C#N 7a_100011934750_100000210303 [0,1,0,0,0,0|3,0,0]=4 1920 B12R1.71 CCCOc1ccc(nc1)CN 34a_100020605196_100000210303 [0,1,0,0,0,0|3,0,0]=4 1921 B12R1.71 CCCOc1ccc(nc1)CO 34a_103436540053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1922 B12R1.71 CCCOc1ccc(nc1)OC 34a_100011934560_100000210303 [0,1,0,0,0,0|1,0,0]=2 1923 B12R1.71 CCCOc1ccc(nc1)SC 62a_100000719977_200000210301 [0,1,0,0,0,0|1,1,0]=3 1924 B12R1.71 CCCOc1ccc(nc1)SC 62a_200000210301_100000719977 [0,1,0,0,0,0|1,1,0]=3 1925 B12R1.71 CCCOc1ccc(nc1)S[13CH3] 62a_100000719977_200025704644 [0,1,0,0,0,0|1,1,0]=3 1926 B12R1.71 CCCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000719977 [0,1,0,0,0,0|1,1,0]=3 1927 B12R1.71 CCCOc1ccc(nn1)NC 27a_100102657272_200011279913 [0,1,0,0,0,0|3,0,0]=4 1928 B12R1.71 CCCOc1ccc(nn1)SC 62a_200000210301_200011279913 [0,1,0,0,0,0|2,1,0]=4 1929 B12R1.71 CCCOc1ccc(nn1)SC 62a_200011279913_200000210301 [0,1,0,0,0,0|2,1,0]=4 1930 B12R1.71 CCCOc1ccc(nn1)S[13CH3] 62a_200011279913_200025704644 [0,1,0,0,0,0|2,1,0]=4 1931 B12R1.71 CCCOc1ccc(nn1)S[13CH3] 62a_200025704644_200011279913 [0,1,0,0,0,0|2,1,0]=4 1932 B12R1.71 CCCOc1cnc(nc1)OC 34a_100000099601_100000210303 [0,1,0,0,0,0|2,0,0]=3 1933 B12R1.71 CCCOc1cnc(nc1)OC 7a_100000099601_100000210303 [0,1,0,0,0,0|2,0,0]=3 1934 B12R1.71 CCCOc1cnc(nc1)SC 34a_100000075549_100000210303 [0,1,0,0,0,0|2,1,0]=4 1935 B12R1.71 CCCOc1cnc(nc1)SC 7a_100000075549_100000210303 [0,1,0,0,0,0|2,1,0]=4 1936 B12R1.71 CCCSc1ccc(cc1)C#N 62a_100000210303_100000184291 [0,1,0,0,0,0|2,0,0]=3 1937 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [0,1,0,0,0,0|2,0,0]=3 1938 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [0,1,0,0,0,0|2,0,0]=3 1939 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,1,0,0,0,0|1,0,0]=2 1940 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,1,0,0,0,0|1,0,0]=2 1941 B12R1.71 CCCSc1ccc(cc1)CF 62a_100000210303_100010268989 [0,1,0,0,0,0|2,0,0]=3 1942 B12R1.71 CCCSc1ccc(cc1)CF 62a_100010268989_100000210303 [0,1,0,0,0,0|2,0,0]=3 1943 B12R1.71 CCCSc1ccc(cc1)CN 62a_100000210303_100016989417 [0,1,0,0,0,0|2,0,0]=3 1944 B12R1.71 CCCSc1ccc(cc1)CN 62a_100016989417_100000210303 [0,1,0,0,0,0|2,0,0]=3 1945 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,1,0,0,0,0|2,0,0]=3 1946 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,1,0,0,0,0|2,0,0]=3 1947 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,1,0,0,0,0|1,0,0]=2 1948 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,1,0,0,0,0|1,0,0]=2 1949 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,1,0,0,0,0|1,0,0]=2 1950 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,1,0,0,0,0|1,0,0]=2 1951 B12R1.71 CCCSc1ccc(cc1)NN 62a_100000210303_100016988836 [0,1,0,0,0,0|2,0,0]=3 1952 B12R1.71 CCCSc1ccc(cc1)NN 62a_100016988836_100000210303 [0,1,0,0,0,0|2,0,0]=3 1953 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,1,0,0,0,0|1,0,0]=2 1954 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,1,0,0,0,0|1,0,0]=2 1955 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,1,0,0,0,0|0,0,0]=1 1956 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,1,0,0,0,0|0,1,0]=2 1957 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,1,0,0,0,0|0,1,0]=2 1958 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,1,0,0,0,0|0,1,0]=2 1959 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,1,0,0,0,0|0,1,0]=2 1960 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,1,0,0,0,0|0,1,0]=2 1961 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,1,0,0,0,0|0,1,0]=2 1962 B12R1.71 CCCSc1ccc(cn1)C#N 62a_100000210303_100000241038 [0,1,0,0,0,0|3,0,0]=4 1963 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000210303_100000766901 [0,1,0,0,0,0|3,0,0]=4 1964 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000766901_100000210303 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.71 CCCSc1ccc(cn1)CC 62a_100000210303_100009843584 [0,1,0,0,0,0|2,0,0]=3 1966 B12R1.71 CCCSc1ccc(cn1)CC 62a_100009843584_100000210303 [0,1,0,0,0,0|2,0,0]=3 1967 B12R1.71 CCCSc1ccc(cn1)CN 62a_100000210303_100000735879 [0,1,0,0,0,0|3,0,0]=4 1968 B12R1.71 CCCSc1ccc(cn1)CN 62a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1969 B12R1.71 CCCSc1ccc(cn1)CO 62a_100000210303_100009816760 [0,1,0,0,0,0|3,0,0]=4 1970 B12R1.71 CCCSc1ccc(cn1)CO 62a_100009816760_100000210303 [0,1,0,0,0,0|3,0,0]=4 1971 B12R1.71 CCCSc1ccc(cn1)NC 62a_100000210303_100000764248 [0,1,0,0,0,0|2,0,0]=3 1972 B12R1.71 CCCSc1ccc(cn1)NC 62a_100000764248_100000210303 [0,1,0,0,0,0|2,0,0]=3 1973 B12R1.71 CCCSc1ccc(cn1)NN 62a_100000210303_100000119030 [0,1,0,0,0,0|3,0,0]=4 1974 B12R1.71 CCCSc1ccc(cn1)NN 62a_100000755011_100000210303 [0,1,0,0,0,0|3,0,0]=4 1975 B12R1.71 CCCSc1ccc(cn1)OC 62a_100000210303_100000744180 [0,1,0,0,0,0|1,0,0]=2 1976 B12R1.71 CCCSc1ccc(cn1)OC 62a_100000755202_100000210303 [0,1,0,0,0,0|1,0,0]=2 1977 B12R1.71 CCCSc1ccc(cn1)SC 62a_100000210303_100009820866 [0,1,0,0,0,0|1,1,0]=3 1978 B12R1.71 CCCSc1ccc(cn1)SC 62a_100009820866_100000210303 [0,1,0,0,0,0|1,1,0]=3 1979 B12R1.71 CCCSc1ccc(nc1)C#N 62a_100000210303_100000760455 [0,1,0,0,0,0|3,0,0]=4 1980 B12R1.71 CCCSc1ccc(nc1)C=O 62a_100000210303_100000754260 [0,1,0,0,0,0|3,0,0]=4 1981 B12R1.71 CCCSc1ccc(nc1)C=O 62a_100000754260_100000210303 [0,1,0,0,0,0|3,0,0]=4 1982 B12R1.71 CCCSc1ccc(nc1)CC 62a_100000210303_100009820025 [0,1,0,0,0,0|2,0,0]=3 1983 B12R1.71 CCCSc1ccc(nc1)CC 62a_100009820025_100000210303 [0,1,0,0,0,0|2,0,0]=3 1984 B12R1.71 CCCSc1ccc(nc1)CN 62a_100000210303_100015188789 [0,1,0,0,0,0|3,0,0]=4 1985 B12R1.71 CCCSc1ccc(nc1)CN 62a_100015188789_100000210303 [0,1,0,0,0,0|3,0,0]=4 1986 B12R1.71 CCCSc1ccc(nc1)CO 62a_100000210303_100000754261 [0,1,0,0,0,0|3,0,0]=4 1987 B12R1.71 CCCSc1ccc(nc1)CO 62a_100000754261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1988 B12R1.71 CCCSc1ccc(nc1)NC 62a_100000210303_100000741341 [0,1,0,0,0,0|2,0,0]=3 1989 B12R1.71 CCCSc1ccc(nc1)NC 62a_100000741341_100000210303 [0,1,0,0,0,0|2,0,0]=3 1990 B12R1.71 CCCSc1ccc(nc1)NN 62a_100000210303_100000750576 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.71 CCCSc1ccc(nc1)NN 62a_100000750576_100000210303 [0,1,0,0,0,0|3,0,0]=4 1992 B12R1.71 CCCSc1ccc(nc1)OC 62a_100000047065_100000210303 [0,1,0,0,0,0|1,0,0]=2 1993 B12R1.71 CCCSc1ccc(nc1)OC 62a_100000210303_100000047065 [0,1,0,0,0,0|1,0,0]=2 1994 B12R1.71 CCCSc1ccc(nc1)SC 62a_100000210303_100011408404 [0,1,0,0,0,0|1,1,0]=3 1995 B12R1.71 CCCSc1ccc(nc1)SC 62a_100011408404_100000210303 [0,1,0,0,0,0|1,1,0]=3 1996 B12R1.71 CCCSc1ccc(nn1)NC 62a_100000210303_100000215272 [0,1,0,0,0,0|3,0,0]=4 1997 B12R1.71 CCCSc1ccc(nn1)NC 62a_100000215272_100000210303 [0,1,0,0,0,0|3,0,0]=4 1998 B12R1.71 CCCSc1ccc(nn1)OC 62a_100000210303_100009819040 [0,1,0,0,0,0|2,0,0]=3 1999 B12R1.71 CCCSc1ccc(nn1)OC 62a_100009819040_100000210303 [0,1,0,0,0,0|2,0,0]=3 2000 B12R1.71 CCCSc1cnc(cn1)NC 62a_100000210303_100012000640 [0,1,0,0,0,0|3,0,0]=4 2001 B12R1.71 CCCSc1cnc(cn1)NC 62a_100012000640_100000210303 [0,1,0,0,0,0|3,0,0]=4 2002 B12R1.71 CCCSc1cnc(cn1)OC 62a_100000210303_100011998698 [0,1,0,0,0,0|2,0,0]=3 2003 B12R1.71 CCCSc1cnc(cn1)OC 62a_100011998698_100000210303 [0,1,0,0,0,0|2,0,0]=3 2004 B12R1.71 CCCSc1cnc(cn1)SC 62a_100000210303_200012356277 [0,1,0,0,0,0|2,1,0]=4 2005 B12R1.71 CCCSc1cnc(cn1)SC 62a_200012356277_100000210303 [0,1,0,0,0,0|2,1,0]=4 2006 B12R1.71 CCCSc1cnc(nc1)NC 62a_100000210303_100000697329 [0,1,0,0,0,0|3,0,0]=4 2007 B12R1.71 CCCSc1cnc(nc1)NC 62a_100000697329_100000210303 [0,1,0,0,0,0|3,0,0]=4 2008 B12R1.71 CCCSc1cnc(nc1)OC 62a_100000210303_100000686852 [0,1,0,0,0,0|2,0,0]=3 2009 B12R1.71 CCCSc1cnc(nc1)OC 62a_100000686852_100000210303 [0,1,0,0,0,0|2,0,0]=3 2010 B12R1.71 CCCSc1cnc(nc1)SC 62a_100000210303_100000722549 [0,1,0,0,0,0|2,1,0]=4 2011 B12R1.71 CCCSc1cnc(nc1)SC 62a_100000722549_100000210303 [0,1,0,0,0,0|2,1,0]=4 2012 B12R1.71 CCCSc1ncc(cn1)CC 62a_100000033099_100000210303 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.71 CCCSc1ncc(cn1)CC 62a_100000210303_100000033099 [0,1,0,0,0,0|3,0,0]=4 2014 B12R1.71 CCCSc1ncc(cn1)OC 62a_100000069167_100000210303 [0,1,0,0,0,0|2,0,0]=3 2015 B12R1.71 CCCSc1ncc(cn1)OC 62a_100000210303_100000069167 [0,1,0,0,0,0|2,0,0]=3 2016 B12R1.71 CCCSc1ncc(cn1)SC 62a_100000210303_100000718988 [0,1,0,0,0,0|2,1,0]=4 2017 B12R1.71 CCCSc1ncc(cn1)SC 62a_100000718988_100000210303 [0,1,0,0,0,0|2,1,0]=4 2018 B12R1.71 CCCSc1ncc(cn1)SC 62a_200000210301_200011939516 [0,1,0,0,0,0|2,1,0]=4 2019 B12R1.71 CCCSc1ncc(cn1)SC 62a_200011939516_200000210301 [0,1,0,0,0,0|2,1,0]=4 2020 B12R1.71 CCCSc1ncc(cn1)S[13CH3] 62a_200011939516_200025704644 [0,1,0,0,0,0|2,1,0]=4 2021 B12R1.71 CCCSc1ncc(cn1)S[13CH3] 62a_200025704644_200011939516 [0,1,0,0,0,0|2,1,0]=4 2022 B12R1.71 CCNCc1ccc(cc1)C#N 207a_100015525214_100000211122 [0,1,0,0,0,0|2,0,0]=3 2023 B12R1.71 CCNCc1ccc(cc1)C#N 2230a_100015525214_100000184898 [0,1,0,0,0,0|2,0,0]=3 2024 B12R1.71 CCNCc1ccc(cc1)C#N 270004a_100015525214_100000211122 [0,1,0,0,0,0|2,0,0]=3 2025 B12R1.71 CCNCc1ccc(cc1)C#N 34a_100015207190_100000210202 [0,1,0,0,0,0|2,0,0]=3 2026 B12R1.71 CCNCc1ccc(cc1)C=O 2230a_100015525214_100009816848 [0,1,0,0,0,0|2,0,0]=3 2027 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [0,1,0,0,0,0|1,0,0]=2 2028 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [0,1,0,0,0,0|1,0,0]=2 2029 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [0,1,0,0,0,0|1,0,0]=2 2030 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [0,1,0,0,0,0|1,0,0]=2 2031 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [0,1,0,0,0,0|1,0,0]=2 2032 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [0,1,0,0,0,0|2,0,0]=3 2033 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [0,1,0,0,0,0|2,0,0]=3 2034 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [0,1,0,0,0,0|2,0,0]=3 2035 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [0,1,0,0,0,0|2,0,0]=3 2036 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [0,1,0,0,0,0|2,0,0]=3 2037 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,1,0,0,0,0|0,0,0]=1 2038 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,1,0,0,0,0|0,0,0]=1 2039 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,1,0,0,0,0|0,0,0]=1 2040 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,1,0,0,0,0|0,0,0]=1 2041 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,1,0,0,0,0|0,0,0]=1 2042 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,1,0,0,0,0|0,0,0]=1 2043 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [0,1,0,0,0,0|0,1,0]=2 2044 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [0,1,0,0,0,0|0,1,0]=2 2045 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [0,1,0,0,0,0|0,1,0]=2 2046 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [0,1,0,0,0,0|0,1,0]=2 2047 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [0,1,0,0,0,0|0,1,0]=2 2048 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [0,1,0,0,0,0|0,1,0]=2 2049 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [0,1,0,0,0,0|0,1,0]=2 2050 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [0,1,0,0,0,0|0,1,0]=2 2051 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [0,1,0,0,0,0|0,1,0]=2 2052 B12R1.71 CCNCc1ccc(cn1)C#N 2230a_100015525214_100000693164 [0,1,0,0,0,0|3,0,0]=4 2053 B12R1.71 CCNCc1ccc(cn1)C#N 270004a_100015525214_100009884217 [0,1,0,0,0,0|3,0,0]=4 2054 B12R1.71 CCNCc1ccc(cn1)CC 207a_100015525214_100000069529 [0,1,0,0,0,0|2,0,0]=3 2055 B12R1.71 CCNCc1ccc(cn1)CC 2230a_100000069493_100000210202 [0,1,0,0,0,0|2,0,0]=3 2056 B12R1.71 CCNCc1ccc(cn1)CC 270004a_100015525214_100000069529 [0,1,0,0,0,0|2,0,0]=3 2057 B12R1.71 CCNCc1ccc(cn1)CC 34a_100000069493_100000210202 [0,1,0,0,0,0|2,0,0]=3 2058 B12R1.71 CCNCc1ccc(cn1)OC 207a_100015525214_100000701244 [0,1,0,0,0,0|1,0,0]=2 2059 B12R1.71 CCNCc1ccc(cn1)OC 2230a_100015525214_200000757186 [0,1,0,0,0,0|1,0,0]=2 2060 B12R1.71 CCNCc1ccc(cn1)OC 270004a_100015525214_100000701244 [0,1,0,0,0,0|1,0,0]=2 2061 B12R1.71 CCNCc1ccc(cn1)OC 34a_100000703904_100000210202 [0,1,0,0,0,0|1,0,0]=2 2062 B12R1.71 CCNCc1ccc(nc1)C#N 2230a_100015525214_100009816919 [0,1,0,0,0,0|3,0,0]=4 2063 B12R1.71 CCNCc1ccc(nc1)C#N 270004a_100015525214_100000064383 [0,1,0,0,0,0|3,0,0]=4 2064 B12R1.71 CCNCc1ccc(nc1)OC 207a_100015525214_100000761633 [0,1,0,0,0,0|1,0,0]=2 2065 B12R1.71 CCNCc1ccc(nc1)OC 2230a_100000241975_100000210202 [0,1,0,0,0,0|1,0,0]=2 2066 B12R1.71 CCNCc1ccc(nc1)OC 2230a_100015525214_100020631284 [0,1,0,0,0,0|1,0,0]=2 2067 B12R1.71 CCNCc1ccc(nc1)OC 270004a_100015525214_100000761633 [0,1,0,0,0,0|1,0,0]=2 2068 B12R1.71 CCNCc1cnc(cn1)OC 207a_100015525214_100000099869 [0,1,0,0,0,0|2,0,0]=3 2069 B12R1.71 CCNCc1cnc(cn1)OC 270004a_100015525214_100000099869 [0,1,0,0,0,0|2,0,0]=3 2070 B12R1.71 CCNCc1cnc(nc1)OC 270004a_100015525214_100011202752 [0,1,0,0,0,0|2,0,0]=3 2071 B12R1.71 CCNCc1cnc(nc1)SC 270004a_100015525214_100011202772 [0,1,0,0,0,0|2,1,0]=4 2072 B12R1.71 CCNN=C1C=CC(=NCl)C=C1 4a_100000756455_100000088476 [0,1,0,0,0,0|3,0,0]=4 2073 B12R1.71 CCNN=C1C=CC(=NO)C=C1 4a_100000756455_200000095120 [0,1,0,0,0,0|3,0,0]=4 2074 B12R1.71 CCOCc1ccc(cc1)C#N 34a_100000238739_100000210202 [0,1,0,0,0,0|2,0,0]=3 2075 B12R1.71 CCOCc1ccc(cc1)C#N 34a_100121572206_100000184898 [0,1,0,0,0,0|2,0,0]=3 2076 B12R1.71 CCOCc1ccc(cc1)C#N 7a_100000238739_100000210202 [0,1,0,0,0,0|2,0,0]=3 2077 B12R1.71 CCOCc1ccc(cc1)C=O 34a_100121572206_100009816848 [0,1,0,0,0,0|2,0,0]=3 2078 B12R1.71 CCOCc1ccc(cc1)CBr 34a_100012353999_100000210202 [0,1,0,0,0,0|2,0,0]=3 2079 B12R1.71 CCOCc1ccc(cc1)CBr 7a_100012353999_100000210202 [0,1,0,0,0,0|2,0,0]=3 2080 B12R1.71 CCOCc1ccc(cc1)CC 34a_100000702245_100000210202 [0,1,0,0,0,0|1,0,0]=2 2081 B12R1.71 CCOCc1ccc(cc1)CC 34a_100121572206_100000747183 [0,1,0,0,0,0|1,0,0]=2 2082 B12R1.71 CCOCc1ccc(cc1)CC 7a_100000702245_100000210202 [0,1,0,0,0,0|1,0,0]=2 2083 B12R1.71 CCOCc1ccc(cc1)CCl 34a_100000067286_100000210202 [0,1,0,0,0,0|2,0,0]=3 2084 B12R1.71 CCOCc1ccc(cc1)CCl 7a_100000067286_100000210202 [0,1,0,0,0,0|2,0,0]=3 2085 B12R1.71 CCOCc1ccc(cc1)CN 34a_100015189231_100000210202 [0,1,0,0,0,0|2,0,0]=3 2086 B12R1.71 CCOCc1ccc(cc1)CO 34a_100121572206_100000067286 [0,1,0,0,0,0|2,0,0]=3 2087 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,1,0,0,0,0|0,0,0]=1 2088 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,1,0,0,0,0|0,0,0]=1 2089 B12R1.71 CCOCc1ccc(cc1)SC 34a_100011215404_100000210202 [0,1,0,0,0,0|0,1,0]=2 2090 B12R1.71 CCOCc1ccc(cc1)SC 34a_100121572206_100000181263 [0,1,0,0,0,0|0,1,0]=2 2091 B12R1.71 CCOCc1ccc(cc1)SC 62a_100000758564_200000210301 [0,1,0,0,0,0|0,1,0]=2 2092 B12R1.71 CCOCc1ccc(cc1)SC 62a_200000210301_100000758564 [0,1,0,0,0,0|0,1,0]=2 2093 B12R1.71 CCOCc1ccc(cc1)SC 7a_100011215404_100000210202 [0,1,0,0,0,0|0,1,0]=2 2094 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_100000758564_200025704644 [0,1,0,0,0,0|0,1,0]=2 2095 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758564 [0,1,0,0,0,0|0,1,0]=2 2096 B12R1.71 CCOCc1ccc(cn1)C#N 34a_100000101912_100000210202 [0,1,0,0,0,0|3,0,0]=4 2097 B12R1.71 CCOCc1ccc(cn1)C#N 34a_100121572206_100000693164 [0,1,0,0,0,0|3,0,0]=4 2098 B12R1.71 CCOCc1ccc(cn1)CC 34a_100000068455_100000210202 [0,1,0,0,0,0|2,0,0]=3 2099 B12R1.71 CCOCc1ccc(cn1)OC 34a_100011998694_100000210202 [0,1,0,0,0,0|1,0,0]=2 2100 B12R1.71 CCOCc1ccc(cn1)OC 34a_100121572206_200000757186 [0,1,0,0,0,0|1,0,0]=2 2101 B12R1.71 CCOCc1ccc(nc1)C#N 34a_100000090650_100000210202 [0,1,0,0,0,0|3,0,0]=4 2102 B12R1.71 CCOCc1ccc(nc1)C#N 34a_100121572206_100009816919 [0,1,0,0,0,0|3,0,0]=4 2103 B12R1.71 CCOCc1ccc(nc1)C#N 7a_100000090650_100000210202 [0,1,0,0,0,0|3,0,0]=4 2104 B12R1.71 CCOCc1ccc(nc1)OC 34a_100000763316_100000210202 [0,1,0,0,0,0|1,0,0]=2 2105 B12R1.71 CCOCc1ccc(nc1)OC 34a_100121572206_100020631284 [0,1,0,0,0,0|1,0,0]=2 2106 B12R1.71 CCOCc1ccc(nc1)SC 62a_100011206209_200000210301 [0,1,0,0,0,0|1,1,0]=3 2107 B12R1.71 CCOCc1ccc(nc1)SC 62a_200000210301_100011206209 [0,1,0,0,0,0|1,1,0]=3 2108 B12R1.71 CCOCc1ccc(nc1)S[13CH3] 62a_100011206209_200025704644 [0,1,0,0,0,0|1,1,0]=3 2109 B12R1.71 CCOCc1ccc(nc1)S[13CH3] 62a_200025704644_100011206209 [0,1,0,0,0,0|1,1,0]=3 2110 B12R1.71 CCOCc1cnc(nc1)SC 7a_100012002198_100000210202 [0,1,0,0,0,0|2,1,0]=4 2111 B12R1.71 CCSCc1ccc(cc1)C#N 62a_100000210202_100000184898 [0,1,0,0,0,0|2,0,0]=3 2112 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100000210202_100009816848 [0,1,0,0,0,0|2,0,0]=3 2113 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100009816848_100000210202 [0,1,0,0,0,0|2,0,0]=3 2114 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000210202_100000747183 [0,1,0,0,0,0|1,0,0]=2 2115 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000757233_100000210202 [0,1,0,0,0,0|1,0,0]=2 2116 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000067286_100000210202 [0,1,0,0,0,0|2,0,0]=3 2117 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000210202_100000067286 [0,1,0,0,0,0|2,0,0]=3 2118 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,1,0,0,0,0|0,0,0]=1 2119 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000181263_100000210202 [0,1,0,0,0,0|0,1,0]=2 2120 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000210202_100000181263 [0,1,0,0,0,0|0,1,0]=2 2121 B12R1.71 CCSCc1ccc(cn1)C#N 62a_100000210202_100000693164 [0,1,0,0,0,0|3,0,0]=4 2122 B12R1.71 CCSCc1ccc(cn1)OC 62a_100000210202_200000757186 [0,1,0,0,0,0|1,0,0]=2 2123 B12R1.71 CCSCc1ccc(cn1)OC 62a_200000757186_100000210202 [0,1,0,0,0,0|1,0,0]=2 2124 B12R1.71 CCSCc1ccc(nc1)C#N 62a_100000210202_100009816919 [0,1,0,0,0,0|3,0,0]=4 2125 B12R1.71 CCSCc1ccc(nc1)OC 62a_100000210202_100020631284 [0,1,0,0,0,0|1,0,0]=2 2126 B12R1.71 CCSCc1ccc(nc1)OC 62a_100020631284_100000210202 [0,1,0,0,0,0|1,0,0]=2 2127 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,1,0,0,0,0|1,0,0]=2 2128 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,1,0,0,0,0|1,0,0]=2 2129 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,1,0,0,0,0|1,0,0]=2 2130 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,1,0,0,0,0|1,0,0]=2 2131 B12R1.71 CCc1ccc(cc1)CNCF 34a_100000721222_100015361967 [0,1,0,0,0,0|2,0,0]=3 2132 B12R1.71 CCc1ccc(cc1)COCF 34a_100000702245_100015361967 [0,1,0,0,0,0|2,0,0]=3 2133 B12R1.71 CCc1ccc(cc1)COCF 7a_100000702245_100015361967 [0,1,0,0,0,0|2,0,0]=3 2134 B12R1.71 CCc1ccc(cc1)CSCF 62a_100000757233_100015361967 [0,1,0,0,0,0|2,0,0]=3 2135 B12R1.71 CCc1ccc(cc1)CSCF 62a_100015361967_100000747183 [0,1,0,0,0,0|2,0,0]=3 2136 B12R1.71 CCc1ccc(cc1)NCC#N 2230a_100000211069_100011215382 [0,1,0,0,0,0|2,0,1]=4 2137 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,1,0,0,0,0|2,0,1]=4 2138 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,1,0,0,0,0|2,0,1]=4 2139 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,1,0,0,0,0|2,0,0]=3 2140 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,1,0,0,0,0|2,0,0]=3 2141 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,1,0,0,0,0|2,0,0]=3 2142 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,1,0,0,0,0|2,0,0]=3 2143 B12R1.71 CCc1ccc(cc1)NCOC 2230a_100000211069_100000766300 [0,1,0,0,0,0|2,0,0]=3 2144 B12R1.71 CCc1ccc(cc1)NCSC 2230a_100000211069_100011218213 [0,1,0,0,0,0|2,0,0]=3 2145 B12R1.71 CCc1ccc(cc1)NCSC 34a_100000211069_100011218213 [0,1,0,0,0,0|2,0,0]=3 2146 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,1,0,0,0,0|2,0,1]=4 2147 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,1,0,0,0,0|2,0,1]=4 2148 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,1,0,0,0,0|2,0,1]=4 2149 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,1,0,0,0,0|2,0,0]=3 2150 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,1,0,0,0,0|2,0,0]=3 2151 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,1,0,0,0,0|2,0,0]=3 2152 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,1,0,0,0,0|2,0,0]=3 2153 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,1,0,0,0,0|2,0,0]=3 2154 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215382_100011215824 [0,1,0,0,0,0|2,0,1]=4 2155 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215824_100011215382 [0,1,0,0,0,0|2,0,1]=4 2156 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,1,0,0,0,0|2,0,1]=4 2157 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,1,0,0,0,0|2,0,1]=4 2158 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,1,0,0,0,0|2,0,0]=3 2159 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,1,0,0,0,0|2,0,0]=3 2160 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,1,0,0,0,0|2,0,0]=3 2161 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,1,0,0,0,0|2,0,0]=3 2162 B12R1.71 CCc1ccc(cc1)SCOC 62a_100000766300_100011215824 [0,1,0,0,0,0|2,0,0]=3 2163 B12R1.71 CCc1ccc(cc1)SCOC 62a_100011215824_100000766300 [0,1,0,0,0,0|2,0,0]=3 2164 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011215824_100011218213 [0,1,0,0,0,0|2,0,0]=3 2165 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011218213_100011215824 [0,1,0,0,0,0|2,0,0]=3 2166 B12R1.71 CCc1ccc(cn1)SCCF 62a_100009820025_100011217306 [0,1,0,0,0,0|3,0,0]=4 2167 B12R1.71 CCc1ccc(cn1)SCCF 62a_100011217306_100009820025 [0,1,0,0,0,0|3,0,0]=4 2168 B12R1.71 CCc1ccc(cn1)SCCO 62a_100000211926_100009820025 [0,1,0,0,0,0|3,0,0]=4 2169 B12R1.71 CCc1ccc(cn1)SCCO 62a_100009820025_100000211926 [0,1,0,0,0,0|3,0,0]=4 2170 B12R1.71 CCc1ccc(cn1)SCOC 62a_100000766300_100009820025 [0,1,0,0,0,0|3,0,0]=4 2171 B12R1.71 CCc1ccc(cn1)SCOC 62a_100009820025_100000766300 [0,1,0,0,0,0|3,0,0]=4 2172 B12R1.71 CCc1ccc(cn1)SCSC 62a_100009820025_100011218213 [0,1,0,0,0,0|3,0,0]=4 2173 B12R1.71 CCc1ccc(cn1)SCSC 62a_100011218213_100009820025 [0,1,0,0,0,0|3,0,0]=4 2174 B12R1.71 CCc1ccc(nc1)CCOC 34a_100000702088_200000210301 [0,1,0,0,0,0|2,0,0]=3 2175 B12R1.71 CCc1ccc(nc1)CCOC 7a_100000702088_200000210301 [0,1,0,0,0,0|2,0,0]=3 2176 B12R1.71 CCc1ccc(nc1)CCO[13CH3] 34a_100000702088_200025704644 [0,1,0,0,0,0|2,0,0]=3 2177 B12R1.71 CCc1ccc(nc1)CCO[13CH3] 7a_100000702088_200025704644 [0,1,0,0,0,0|2,0,0]=3 2178 B12R1.71 CCc1ccc(nc1)CNCF 34a_100000069493_100015361967 [0,1,0,0,0,0|3,0,0]=4 2179 B12R1.71 CCc1ccc(nc1)COCF 34a_100000068455_100015361967 [0,1,0,0,0,0|3,0,0]=4 2180 B12R1.71 CCc1ccc(nc1)SCCF 62a_100009843584_100011217306 [0,1,0,0,0,0|3,0,0]=4 2181 B12R1.71 CCc1ccc(nc1)SCCF 62a_100011217306_100009843584 [0,1,0,0,0,0|3,0,0]=4 2182 B12R1.71 CCc1ccc(nc1)SCCO 62a_100000211926_100009843584 [0,1,0,0,0,0|3,0,0]=4 2183 B12R1.71 CCc1ccc(nc1)SCCO 62a_100009843584_100000211926 [0,1,0,0,0,0|3,0,0]=4 2184 B12R1.71 CCc1ccc(nc1)SCOC 62a_100000766300_100009843584 [0,1,0,0,0,0|3,0,0]=4 2185 B12R1.71 CCc1ccc(nc1)SCOC 62a_100009843584_100000766300 [0,1,0,0,0,0|3,0,0]=4 2186 B12R1.71 CCc1ccc(nc1)SCSC 62a_100009843584_100011218213 [0,1,0,0,0,0|3,0,0]=4 2187 B12R1.71 CCc1ccc(nc1)SCSC 62a_100011218213_100009843584 [0,1,0,0,0,0|3,0,0]=4 2188 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_100015189369_200000210301 [0,1,0,0,0,0|2,0,0]=3 2189 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_106832991635_100012161189 [0,1,0,0,0,0|2,0,0]=3 2190 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100015189369_200000210301 [0,1,0,0,0,0|2,0,0]=3 2191 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100102657272_100012161189 [0,1,0,0,0,0|2,0,0]=3 2192 B12R1.71 CNCCc1ccc(cc1)C#N 7a_106832991635_100012161189 [0,1,0,0,0,0|2,0,0]=3 2193 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,1,0,0,0,0|0,0,0]=1 2194 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,1,0,0,0,0|0,0,0]=1 2195 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,1,0,0,0,0|0,0,0]=1 2196 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,1,0,0,0,0|0,0,0]=1 2197 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,1,0,0,0,0|0,0,0]=1 2198 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,1,0,0,0,0|0,0,0]=1 2199 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,1,0,0,0,0|0,0,0]=1 2200 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,1,0,0,0,0|0,0,0]=1 2201 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,1,0,0,0,0|0,1,0]=2 2202 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,1,0,0,0,0|0,1,0]=2 2203 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,1,0,0,0,0|0,1,0]=2 2204 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,1,0,0,0,0|0,1,0]=2 2205 B12R1.71 CNCCc1ccc(nc1)OC 2230a_100011998949_200000210301 [0,1,0,0,0,0|1,0,0]=2 2206 B12R1.71 CNCCc1ccc(nc1)OC 34a_100011998949_200000210301 [0,1,0,0,0,0|1,0,0]=2 2207 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,1,0,0,0,0|1,0,0]=2 2208 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,1,0,0,0,0|1,0,0]=2 2209 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,1,0,0,0,0|1,0,0]=2 2210 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,1,0,0,0,0|2,0,1]=4 2211 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,1,0,0,0,0|2,0,0]=3 2212 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,1,0,0,0,0|2,0,0]=3 2213 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,1,0,0,0,0|2,0,0]=3 2214 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,1,0,0,0,0|2,0,0]=3 2215 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,1,0,0,0,0|2,0,0]=3 2216 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,1,0,0,0,0|2,0,0]=3 2217 B12R1.71 CNc1ccc(cc1)SCC#N 62a_100000743151_100011215382 [0,1,0,0,0,0|2,0,1]=4 2218 B12R1.71 CNc1ccc(cc1)SCC#N 62a_100011215382_100000743151 [0,1,0,0,0,0|2,0,1]=4 2219 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,1,0,0,0,0|2,0,1]=4 2220 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,1,0,0,0,0|2,0,1]=4 2221 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,1,0,0,0,0|2,0,0]=3 2222 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,1,0,0,0,0|2,0,0]=3 2223 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,1,0,0,0,0|2,0,0]=3 2224 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,1,0,0,0,0|2,0,0]=3 2225 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000743151_100000766300 [0,1,0,0,0,0|2,0,0]=3 2226 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000766300_100000743151 [0,1,0,0,0,0|2,0,0]=3 2227 B12R1.71 CNc1ccc(cc1)SCSC 62a_100000743151_100011218213 [0,1,0,0,0,0|2,0,0]=3 2228 B12R1.71 CNc1ccc(cc1)SCSC 62a_100011218213_100000743151 [0,1,0,0,0,0|2,0,0]=3 2229 B12R1.71 CNc1ccc(cn1)SCCF 62a_100000741341_100011217306 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.71 CNc1ccc(cn1)SCCF 62a_100011217306_100000741341 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000211926_100000741341 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000741341_100000211926 [0,1,0,0,0,0|3,0,0]=4 2233 B12R1.71 CNc1ccc(cn1)SCOC 62a_100000741341_100000766300 [0,1,0,0,0,0|3,0,0]=4 2234 B12R1.71 CNc1ccc(cn1)SCOC 62a_100000766300_100000741341 [0,1,0,0,0,0|3,0,0]=4 2235 B12R1.71 CNc1ccc(cn1)SCSC 62a_100000741341_100011218213 [0,1,0,0,0,0|3,0,0]=4 2236 B12R1.71 CNc1ccc(cn1)SCSC 62a_100011218213_100000741341 [0,1,0,0,0,0|3,0,0]=4 2237 B12R1.71 CNc1ccc(nc1)SCCF 62a_100000764248_100011217306 [0,1,0,0,0,0|3,0,0]=4 2238 B12R1.71 CNc1ccc(nc1)SCCF 62a_100011217306_100000764248 [0,1,0,0,0,0|3,0,0]=4 2239 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000211926_100000764248 [0,1,0,0,0,0|3,0,0]=4 2240 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000764248_100000211926 [0,1,0,0,0,0|3,0,0]=4 2241 B12R1.71 CNc1ccc(nc1)SCOC 62a_100000764248_100000766300 [0,1,0,0,0,0|3,0,0]=4 2242 B12R1.71 CNc1ccc(nc1)SCOC 62a_100000766300_100000764248 [0,1,0,0,0,0|3,0,0]=4 2243 B12R1.71 CNc1ccc(nc1)SCSC 62a_100000764248_100011218213 [0,1,0,0,0,0|3,0,0]=4 2244 B12R1.71 CNc1ccc(nc1)SCSC 62a_100011218213_100000764248 [0,1,0,0,0,0|3,0,0]=4 2245 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,1,0,0,0,0|0,1,2]=4 2246 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,1,0,0,0,0|0,1,2]=4 2247 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,1,0,0,0,0|0,1,2]=4 2248 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,1,0,0,0,0|0,1,2]=4 2249 B12R1.71 COCCc1ccc(cc1)C#N 34a_100011219507_200000210301 [0,1,0,0,0,0|2,0,0]=3 2250 B12R1.71 COCCc1ccc(cc1)C#N 34a_100138415774_100012161189 [0,1,0,0,0,0|2,0,0]=3 2251 B12R1.71 COCCc1ccc(cc1)C#N 7a_100011219507_200000210301 [0,1,0,0,0,0|2,0,0]=3 2252 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,1,0,0,0,0|0,0,0]=1 2253 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,1,0,0,0,0|0,0,0]=1 2254 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,1,0,0,0,0|0,0,0]=1 2255 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,1,0,0,0,0|0,0,0]=1 2256 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,1,0,0,0,0|0,0,0]=1 2257 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,1,0,0,0,0|0,0,0]=1 2258 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,1,0,0,0,0|0,0,0]=1 2259 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,1,0,0,0,0|0,1,0]=2 2260 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,1,0,0,0,0|0,1,0]=2 2261 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,1,0,0,0,0|0,1,0]=2 2262 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,1,0,0,0,0|0,1,0]=2 2263 B12R1.71 COCNc1ccc(cc1)CO 2230a_100011215238_100000766300 [0,1,0,0,0,0|3,0,0]=4 2264 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,1,0,0,0,0|1,0,0]=2 2265 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,1,0,0,0,0|1,0,0]=2 2266 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,1,0,0,0,0|1,1,0]=3 2267 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,1,0,0,0,0|1,1,0]=3 2268 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,1,0,0,0,0|1,1,0]=3 2269 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,1,0,0,0,0|1,1,0]=3 2270 B12R1.71 COCOc1ccc(nc1)SC 62a_100012568617_200000210301 [0,1,0,0,0,0|2,1,0]=4 2271 B12R1.71 COCOc1ccc(nc1)SC 62a_200000210301_100012568617 [0,1,0,0,0,0|2,1,0]=4 2272 B12R1.71 COCOc1ccc(nc1)S[13CH3] 62a_100012568617_200025704644 [0,1,0,0,0,0|2,1,0]=4 2273 B12R1.71 COCOc1ccc(nc1)S[13CH3] 62a_200025704644_100012568617 [0,1,0,0,0,0|2,1,0]=4 2274 B12R1.71 COCSc1ccc(cc1)C#N 62a_100000766300_100000184291 [0,1,0,0,0,0|3,0,0]=4 2275 B12R1.71 COCSc1ccc(cc1)C=O 62a_100000188517_100000766300 [0,1,0,0,0,0|3,0,0]=4 2276 B12R1.71 COCSc1ccc(cc1)C=O 62a_100000766300_100000188517 [0,1,0,0,0,0|3,0,0]=4 2277 B12R1.71 COCSc1ccc(cc1)CF 62a_100000766300_100010268989 [0,1,0,0,0,0|3,0,0]=4 2278 B12R1.71 COCSc1ccc(cc1)CF 62a_100010268989_100000766300 [0,1,0,0,0,0|3,0,0]=4 2279 B12R1.71 COCSc1ccc(cc1)CN 62a_100000766300_100016989417 [0,1,0,0,0,0|3,0,0]=4 2280 B12R1.71 COCSc1ccc(cc1)CN 62a_100016989417_100000766300 [0,1,0,0,0,0|3,0,0]=4 2281 B12R1.71 COCSc1ccc(cc1)CO 62a_100000690907_100000766300 [0,1,0,0,0,0|3,0,0]=4 2282 B12R1.71 COCSc1ccc(cc1)CO 62a_100000766300_100000690907 [0,1,0,0,0,0|3,0,0]=4 2283 B12R1.71 COCSc1ccc(cc1)NN 62a_100000766300_100016988836 [0,1,0,0,0,0|3,0,0]=4 2284 B12R1.71 COCSc1ccc(cc1)NN 62a_100016988836_100000766300 [0,1,0,0,0,0|3,0,0]=4 2285 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [0,1,0,0,0,0|1,0,0]=2 2286 B12R1.71 COCSc1ccc(cc1)SC 62a_100000766300_100011263217 [0,1,0,0,0,0|1,1,0]=3 2287 B12R1.71 COCSc1ccc(cc1)SC 62a_100011263217_100000766300 [0,1,0,0,0,0|1,1,0]=3 2288 B12R1.71 COCSc1ccc(cn1)OC 62a_100000755202_100000766300 [0,1,0,0,0,0|2,0,0]=3 2289 B12R1.71 COCSc1ccc(cn1)OC 62a_100000766300_100000744180 [0,1,0,0,0,0|2,0,0]=3 2290 B12R1.71 COCSc1ccc(cn1)SC 62a_100000766300_100009820866 [0,1,0,0,0,0|2,1,0]=4 2291 B12R1.71 COCSc1ccc(cn1)SC 62a_100009820866_100000766300 [0,1,0,0,0,0|2,1,0]=4 2292 B12R1.71 COCSc1ccc(nc1)OC 62a_100000047065_100000766300 [0,1,0,0,0,0|2,0,0]=3 2293 B12R1.71 COCSc1ccc(nc1)OC 62a_100000766300_100000047065 [0,1,0,0,0,0|2,0,0]=3 2294 B12R1.71 COCSc1ccc(nc1)SC 62a_100000766300_100011408404 [0,1,0,0,0,0|2,1,0]=4 2295 B12R1.71 COCSc1ccc(nc1)SC 62a_100011408404_100000766300 [0,1,0,0,0,0|2,1,0]=4 2296 B12R1.71 COCSc1ccc(nn1)OC 62a_100000766300_100009819040 [0,1,0,0,0,0|3,0,0]=4 2297 B12R1.71 COCSc1ccc(nn1)OC 62a_100009819040_100000766300 [0,1,0,0,0,0|3,0,0]=4 2298 B12R1.71 COCSc1cnc(cn1)OC 62a_100000766300_100011998698 [0,1,0,0,0,0|3,0,0]=4 2299 B12R1.71 COCSc1cnc(cn1)OC 62a_100011998698_100000766300 [0,1,0,0,0,0|3,0,0]=4 2300 B12R1.71 COCSc1cnc(nc1)OC 62a_100000686852_100000766300 [0,1,0,0,0,0|3,0,0]=4 2301 B12R1.71 COCSc1cnc(nc1)OC 62a_100000766300_100000686852 [0,1,0,0,0,0|3,0,0]=4 2302 B12R1.71 COCSc1ncc(cn1)OC 62a_100000069167_100000766300 [0,1,0,0,0,0|3,0,0]=4 2303 B12R1.71 COCSc1ncc(cn1)OC 62a_100000766300_100000069167 [0,1,0,0,0,0|3,0,0]=4 2304 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,1,0,0,0,0|0,0,1]=2 2305 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,1,0,0,0,0|0,0,1]=2 2306 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,1,0,0,0,0|0,0,0]=1 2307 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,1,0,0,0,0|0,0,0]=1 2308 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,1,0,0,0,0|0,0,0]=1 2309 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,1,0,0,0,0|0,0,0]=1 2310 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,1,0,0,0,0|0,0,0]=1 2311 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,1,0,0,0,0|0,0,0]=1 2312 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,1,0,0,0,0|0,0,0]=1 2313 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,1,0,0,0,0|0,0,0]=1 2314 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,1,0,0,0,0|0,0,0]=1 2315 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,1,0,0,0,0|0,0,0]=1 2316 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,1,0,0,0,0|1,0,0]=2 2317 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,1,0,0,0,0|1,0,0]=2 2318 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,1,0,0,0,0|1,0,0]=2 2319 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,1,0,0,0,0|1,0,1]=3 2320 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,1,0,0,0,0|1,0,0]=2 2321 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,1,0,0,0,0|1,0,0]=2 2322 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [0,1,0,0,0,0|1,0,0]=2 2323 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,1,0,0,0,0|1,0,1]=3 2324 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,1,0,0,0,0|1,0,0]=2 2325 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,1,0,0,0,0|1,0,0]=2 2326 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,1,0,0,0,0|1,0,0]=2 2327 B12R1.71 COc1ccc(cc1)SCC#N 62a_100011215382_100000171711 [0,1,0,0,0,0|1,0,1]=3 2328 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,1,0,0,0,0|1,0,1]=3 2329 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,1,0,0,0,0|1,0,0]=2 2330 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,1,0,0,0,0|1,0,0]=2 2331 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [0,1,0,0,0,0|1,0,0]=2 2332 B12R1.71 COc1ccc(cn1)CCN[13CH3] 2230a_100011998949_200025704644 [0,1,0,0,0,0|1,0,0]=2 2333 B12R1.71 COc1ccc(cn1)CCN[13CH3] 34a_100011998949_200025704644 [0,1,0,0,0,0|1,0,0]=2 2334 B12R1.71 COc1ccc(cn1)COCF 34a_100000763316_100015361967 [0,1,0,0,0,0|2,0,0]=3 2335 B12R1.71 COc1ccc(cn1)CSCF 62a_100015361967_100020631284 [0,1,0,0,0,0|2,0,0]=3 2336 B12R1.71 COc1ccc(cn1)CSCF 62a_100020631284_100015361967 [0,1,0,0,0,0|2,0,0]=3 2337 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,1,0,0,0,0|2,0,1]=4 2338 B12R1.71 COc1ccc(cn1)OCCF 34a_100011934560_100011217306 [0,1,0,0,0,0|2,0,0]=3 2339 B12R1.71 COc1ccc(cn1)OCCO 34a_100011934560_100000211926 [0,1,0,0,0,0|2,0,0]=3 2340 B12R1.71 COc1ccc(cn1)OCSC 34a_100011934560_100011218213 [0,1,0,0,0,0|2,0,0]=3 2341 B12R1.71 COc1ccc(cn1)SCC#N 62a_100000047065_100011215382 [0,1,0,0,0,0|2,0,1]=4 2342 B12R1.71 COc1ccc(cn1)SCC#N 62a_100011215382_100000047065 [0,1,0,0,0,0|2,0,1]=4 2343 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [0,1,0,0,0,0|2,0,1]=4 2344 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [0,1,0,0,0,0|2,0,1]=4 2345 B12R1.71 COc1ccc(cn1)SCCF 62a_100000047065_100011217306 [0,1,0,0,0,0|2,0,0]=3 2346 B12R1.71 COc1ccc(cn1)SCCF 62a_100011217306_100000047065 [0,1,0,0,0,0|2,0,0]=3 2347 B12R1.71 COc1ccc(cn1)SCCO 62a_100000047065_100000211926 [0,1,0,0,0,0|2,0,0]=3 2348 B12R1.71 COc1ccc(cn1)SCCO 62a_100000211926_100000047065 [0,1,0,0,0,0|2,0,0]=3 2349 B12R1.71 COc1ccc(cn1)SCSC 62a_100000047065_100011218213 [0,1,0,0,0,0|2,0,0]=3 2350 B12R1.71 COc1ccc(cn1)SCSC 62a_100011218213_100000047065 [0,1,0,0,0,0|2,0,0]=3 2351 B12R1.71 COc1ccc(nc1)CNCF 34a_100000703904_100015361967 [0,1,0,0,0,0|2,0,0]=3 2352 B12R1.71 COc1ccc(nc1)COCF 34a_100011998694_100015361967 [0,1,0,0,0,0|2,0,0]=3 2353 B12R1.71 COc1ccc(nc1)CSCF 62a_100015361967_200000757186 [0,1,0,0,0,0|2,0,0]=3 2354 B12R1.71 COc1ccc(nc1)CSCF 62a_200000757186_100015361967 [0,1,0,0,0,0|2,0,0]=3 2355 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,1,0,0,0,0|2,0,1]=4 2356 B12R1.71 COc1ccc(nc1)OCCF 34a_100012002028_100011217306 [0,1,0,0,0,0|2,0,0]=3 2357 B12R1.71 COc1ccc(nc1)OCCO 34a_100012002028_100000211926 [0,1,0,0,0,0|2,0,0]=3 2358 B12R1.71 COc1ccc(nc1)OCSC 34a_100012002028_100011218213 [0,1,0,0,0,0|2,0,0]=3 2359 B12R1.71 COc1ccc(nc1)SCC#N 62a_100000755202_100011215382 [0,1,0,0,0,0|2,0,1]=4 2360 B12R1.71 COc1ccc(nc1)SCC#N 62a_100011215382_100000744180 [0,1,0,0,0,0|2,0,1]=4 2361 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [0,1,0,0,0,0|2,0,1]=4 2362 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [0,1,0,0,0,0|2,0,1]=4 2363 B12R1.71 COc1ccc(nc1)SCCF 62a_100000755202_100011217306 [0,1,0,0,0,0|2,0,0]=3 2364 B12R1.71 COc1ccc(nc1)SCCF 62a_100011217306_100000744180 [0,1,0,0,0,0|2,0,0]=3 2365 B12R1.71 COc1ccc(nc1)SCCO 62a_100000211926_100000744180 [0,1,0,0,0,0|2,0,0]=3 2366 B12R1.71 COc1ccc(nc1)SCCO 62a_100000755202_100000211926 [0,1,0,0,0,0|2,0,0]=3 2367 B12R1.71 COc1ccc(nc1)SCSC 62a_100000755202_100011218213 [0,1,0,0,0,0|2,0,0]=3 2368 B12R1.71 COc1ccc(nc1)SCSC 62a_100011218213_100000744180 [0,1,0,0,0,0|2,0,0]=3 2369 B12R1.71 COc1ccc(nn1)NCCO 27a_100000210304_100010231723 [0,1,0,0,0,0|3,0,0]=4 2370 B12R1.71 COc1ccc(nn1)SCCF 62a_100009819040_100011217306 [0,1,0,0,0,0|3,0,0]=4 2371 B12R1.71 COc1ccc(nn1)SCCF 62a_100011217306_100009819040 [0,1,0,0,0,0|3,0,0]=4 2372 B12R1.71 COc1ccc(nn1)SCCO 62a_100000211926_100009819040 [0,1,0,0,0,0|3,0,0]=4 2373 B12R1.71 COc1ccc(nn1)SCCO 62a_100009819040_100000211926 [0,1,0,0,0,0|3,0,0]=4 2374 B12R1.71 COc1ccc(nn1)SCSC 62a_100009819040_100011218213 [0,1,0,0,0,0|3,0,0]=4 2375 B12R1.71 COc1ccc(nn1)SCSC 62a_100011218213_100009819040 [0,1,0,0,0,0|3,0,0]=4 2376 B12R1.71 COc1cnc(cn1)SCCF 62a_100011217306_100011998698 [0,1,0,0,0,0|3,0,0]=4 2377 B12R1.71 COc1cnc(cn1)SCCF 62a_100011998698_100011217306 [0,1,0,0,0,0|3,0,0]=4 2378 B12R1.71 COc1cnc(cn1)SCCO 62a_100000211926_100011998698 [0,1,0,0,0,0|3,0,0]=4 2379 B12R1.71 COc1cnc(cn1)SCCO 62a_100011998698_100000211926 [0,1,0,0,0,0|3,0,0]=4 2380 B12R1.71 COc1cnc(cn1)SCSC 62a_100011218213_100011998698 [0,1,0,0,0,0|3,0,0]=4 2381 B12R1.71 COc1cnc(cn1)SCSC 62a_100011998698_100011218213 [0,1,0,0,0,0|3,0,0]=4 2382 B12R1.71 COc1cnc(nc1)NCCO 27a_100000210304_100000069167 [0,1,0,0,0,0|3,0,0]=4 2383 B12R1.71 COc1cnc(nc1)SCCF 62a_100000069167_100011217306 [0,1,0,0,0,0|3,0,0]=4 2384 B12R1.71 COc1cnc(nc1)SCCF 62a_100011217306_100000069167 [0,1,0,0,0,0|3,0,0]=4 2385 B12R1.71 COc1cnc(nc1)SCCO 62a_100000069167_100000211926 [0,1,0,0,0,0|3,0,0]=4 2386 B12R1.71 COc1cnc(nc1)SCCO 62a_100000211926_100000069167 [0,1,0,0,0,0|3,0,0]=4 2387 B12R1.71 COc1cnc(nc1)SCSC 62a_100000069167_100011218213 [0,1,0,0,0,0|3,0,0]=4 2388 B12R1.71 COc1cnc(nc1)SCSC 62a_100011218213_100000069167 [0,1,0,0,0,0|3,0,0]=4 2389 B12R1.71 COc1ncc(cn1)OCCF 34a_100000099601_100011217306 [0,1,0,0,0,0|3,0,0]=4 2390 B12R1.71 COc1ncc(cn1)OCCF 7a_100000099601_100011217306 [0,1,0,0,0,0|3,0,0]=4 2391 B12R1.71 COc1ncc(cn1)OCCO 34a_100000099601_100000211926 [0,1,0,0,0,0|3,0,0]=4 2392 B12R1.71 COc1ncc(cn1)OCCO 7a_100000099601_100000211926 [0,1,0,0,0,0|3,0,0]=4 2393 B12R1.71 COc1ncc(cn1)OCSC 34a_100000099601_100011218213 [0,1,0,0,0,0|3,0,0]=4 2394 B12R1.71 COc1ncc(cn1)SCCF 62a_100000686852_100011217306 [0,1,0,0,0,0|3,0,0]=4 2395 B12R1.71 COc1ncc(cn1)SCCF 62a_100011217306_100000686852 [0,1,0,0,0,0|3,0,0]=4 2396 B12R1.71 COc1ncc(cn1)SCCO 62a_100000211926_100000686852 [0,1,0,0,0,0|3,0,0]=4 2397 B12R1.71 COc1ncc(cn1)SCCO 62a_100000686852_100000211926 [0,1,0,0,0,0|3,0,0]=4 2398 B12R1.71 COc1ncc(cn1)SCSC 62a_100000686852_100011218213 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.71 COc1ncc(cn1)SCSC 62a_100011218213_100000686852 [0,1,0,0,0,0|3,0,0]=4 2400 B12R1.71 CSCCc1ccc(cc1)C#N 62a_200000210301_100012161189 [0,1,0,0,0,0|2,0,0]=3 2401 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,1,0,0,0,0|1,0,0]=2 2402 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,1,0,0,0,0|1,0,0]=2 2403 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,1,0,0,0,0|1,0,0]=2 2404 B12R1.71 CSCNc1ccc(cc1)C#N 34a_100000185469_100011218213 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.71 CSCNc1ccc(cc1)CO 2230a_100011215238_100011218213 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.71 CSCNc1ccc(cc1)CO 34a_100011215238_100011218213 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.71 CSCNc1ccc(cc1)SC 34a_100000212337_100011218213 [0,1,0,0,0,0|1,1,0]=3 2408 B12R1.71 CSCOc1ccc(cc1)C#N 34a_100000210344_100011218213 [0,1,0,0,0,0|3,0,0]=4 2409 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,1,0,0,0,0|3,0,0]=4 2410 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,1,0,0,0,0|3,0,0]=4 2411 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,1,0,0,0,0|1,1,0]=3 2412 B12R1.71 CSCSc1ccc(cc1)C#N 62a_100011218213_100000184291 [0,1,0,0,0,0|3,0,0]=4 2413 B12R1.71 CSCSc1ccc(cc1)C=O 62a_100000188517_100011218213 [0,1,0,0,0,0|3,0,0]=4 2414 B12R1.71 CSCSc1ccc(cc1)C=O 62a_100011218213_100000188517 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.71 CSCSc1ccc(cc1)CF 62a_100010268989_100011218213 [0,1,0,0,0,0|3,0,0]=4 2416 B12R1.71 CSCSc1ccc(cc1)CF 62a_100011218213_100010268989 [0,1,0,0,0,0|3,0,0]=4 2417 B12R1.71 CSCSc1ccc(cc1)CN 62a_100011218213_100016989417 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.71 CSCSc1ccc(cc1)CN 62a_100016989417_100011218213 [0,1,0,0,0,0|3,0,0]=4 2419 B12R1.71 CSCSc1ccc(cc1)CO 62a_100000690907_100011218213 [0,1,0,0,0,0|3,0,0]=4 2420 B12R1.71 CSCSc1ccc(cc1)CO 62a_100011218213_100000690907 [0,1,0,0,0,0|3,0,0]=4 2421 B12R1.71 CSCSc1ccc(cc1)NN 62a_100011218213_100016988836 [0,1,0,0,0,0|3,0,0]=4 2422 B12R1.71 CSCSc1ccc(cc1)NN 62a_100016988836_100011218213 [0,1,0,0,0,0|3,0,0]=4 2423 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011218213_100011263217 [0,1,0,0,0,0|1,1,0]=3 2424 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011263217_100011218213 [0,1,0,0,0,0|1,1,0]=3 2425 B12R1.71 CSCSc1ccc(cn1)SC 62a_100009820866_100011218213 [0,1,0,0,0,0|2,1,0]=4 2426 B12R1.71 CSCSc1ccc(cn1)SC 62a_100011218213_100009820866 [0,1,0,0,0,0|2,1,0]=4 2427 B12R1.71 CSCSc1ccc(nc1)SC 62a_100011218213_100011408404 [0,1,0,0,0,0|2,1,0]=4 2428 B12R1.71 CSCSc1ccc(nc1)SC 62a_100011408404_100011218213 [0,1,0,0,0,0|2,1,0]=4 2429 B12R1.71 CSc1ccc(cc1)C#CCO 62a_200000210301_100009814260 [0,1,0,0,0,0|0,1,2]=4 2430 B12R1.71 CSc1ccc(cc1)CCC#N 62a_100011216407_200000210301 [0,1,0,0,0,0|0,1,1]=3 2431 B12R1.71 CSc1ccc(cc1)CCC#N 62a_200000210301_100011216407 [0,1,0,0,0,0|0,1,1]=3 2432 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,1,0,0,0,0|0,1,1]=3 2433 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,1,0,0,0,0|0,1,1]=3 2434 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,1,0,0,0,0|0,1,0]=2 2435 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,1,0,0,0,0|0,1,0]=2 2436 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,1,0,0,0,0|0,1,0]=2 2437 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,1,0,0,0,0|0,1,0]=2 2438 B12R1.71 CSc1ccc(cc1)CNCF 34a_100000174980_100015361967 [0,1,0,0,0,0|1,1,0]=3 2439 B12R1.71 CSc1ccc(cc1)COCF 34a_100011215404_100015361967 [0,1,0,0,0,0|1,1,0]=3 2440 B12R1.71 CSc1ccc(cc1)COCF 7a_100011215404_100015361967 [0,1,0,0,0,0|1,1,0]=3 2441 B12R1.71 CSc1ccc(cc1)CSC#N 62a_200000210301_200010141448 [0,1,0,0,0,0|1,1,1]=4 2442 B12R1.71 CSc1ccc(cc1)CSC#N 62a_200010141448_200000210301 [0,1,0,0,0,0|1,1,1]=4 2443 B12R1.71 CSc1ccc(cc1)CSCF 62a_100000181263_100015361967 [0,1,0,0,0,0|1,1,0]=3 2444 B12R1.71 CSc1ccc(cc1)CSCF 62a_100015361967_100000181263 [0,1,0,0,0,0|1,1,0]=3 2445 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,1,0,0,0,0|1,1,1]=4 2446 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,1,0,0,0,0|1,1,0]=3 2447 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,1,0,0,0,0|1,1,0]=3 2448 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,1,0,0,0,0|1,1,1]=4 2449 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,1,0,0,0,0|1,1,1]=4 2450 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,1,0,0,0,0|1,1,1]=4 2451 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,1,0,0,0,0|1,1,0]=3 2452 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,1,0,0,0,0|1,1,0]=3 2453 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,1,0,0,0,0|1,1,0]=3 2454 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,1,0,0,0,0|1,1,0]=3 2455 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,1,0,0,0,0|1,1,0]=3 2456 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,1,0,0,0,0|1,1,0]=3 2457 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,1,0,0,0,0|1,1,0]=3 2458 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,1,0,0,0,0|1,1,0]=3 2459 B12R1.71 CSc1ccc(cc1)SCC#N 62a_100011215382_100011263217 [0,1,0,0,0,0|1,1,1]=4 2460 B12R1.71 CSc1ccc(cc1)SCC#N 62a_100011263217_100011215382 [0,1,0,0,0,0|1,1,1]=4 2461 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,1,0,0,0,0|1,1,1]=4 2462 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,1,0,0,0,0|1,1,1]=4 2463 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,1,0,0,0,0|1,1,0]=3 2464 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,1,0,0,0,0|1,1,0]=3 2465 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,1,0,0,0,0|1,1,0]=3 2466 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,1,0,0,0,0|1,1,0]=3 2467 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,1,0,0,0,0|1,1,0]=3 2468 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,1,0,0,0,0|1,1,0]=3 2469 B12R1.71 CSc1ccc(cn1)OCCO 62a_200000210301_200013150534 [0,1,0,0,0,0|2,1,0]=4 2470 B12R1.71 CSc1ccc(cn1)OCCO 62a_200013150534_200000210301 [0,1,0,0,0,0|2,1,0]=4 2471 B12R1.71 CSc1ccc(cn1)SCCF 62a_100011217306_100011408404 [0,1,0,0,0,0|2,1,0]=4 2472 B12R1.71 CSc1ccc(cn1)SCCF 62a_100011408404_100011217306 [0,1,0,0,0,0|2,1,0]=4 2473 B12R1.71 CSc1ccc(cn1)SCCO 62a_100000211926_100011408404 [0,1,0,0,0,0|2,1,0]=4 2474 B12R1.71 CSc1ccc(cn1)SCCO 62a_100011408404_100000211926 [0,1,0,0,0,0|2,1,0]=4 2475 B12R1.71 CSc1ccc(nc1)NCCN 62a_200000210301_200011214600 [0,1,0,0,0,0|2,1,0]=4 2476 B12R1.71 CSc1ccc(nc1)NCCN 62a_200011214600_200000210301 [0,1,0,0,0,0|2,1,0]=4 2477 B12R1.71 CSc1ccc(nc1)NCCO 27a_100000210304_100009820866 [0,1,0,0,0,0|2,1,0]=4 2478 B12R1.71 CSc1ccc(nc1)SCCF 62a_100009820866_100011217306 [0,1,0,0,0,0|2,1,0]=4 2479 B12R1.71 CSc1ccc(nc1)SCCF 62a_100011217306_100009820866 [0,1,0,0,0,0|2,1,0]=4 2480 B12R1.71 CSc1ccc(nc1)SCCO 62a_100000211926_100009820866 [0,1,0,0,0,0|2,1,0]=4 2481 B12R1.71 CSc1ccc(nc1)SCCO 62a_100009820866_100000211926 [0,1,0,0,0,0|2,1,0]=4 2482 B12R1.71 FCCSc1ccc(cc1)CF 62a_100010268989_100011217306 [0,1,0,0,0,0|3,0,0]=4 2483 B12R1.71 FCCSc1ccc(cc1)CF 62a_100011217306_100010268989 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.71 FCOCc1ccc(cc1)CBr 34a_100012353999_100015361967 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.71 FCOCc1ccc(cc1)CBr 7a_100012353999_100015361967 [0,1,0,0,0,0|3,0,0]=4 2486 B12R1.71 FCOCc1ccc(cc1)CCl 34a_100000067286_100015361967 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.71 FCOCc1ccc(cc1)CCl 7a_100000067286_100015361967 [0,1,0,0,0,0|3,0,0]=4 2488 B12R1.71 N#Cc1ccc(cc1)CNCF 34a_100015207190_100015361967 [0,1,0,0,0,0|3,0,0]=4 2489 B12R1.71 N#Cc1ccc(cc1)COCF 34a_100000238739_100015361967 [0,1,0,0,0,0|3,0,0]=4 2490 B12R1.71 N#Cc1ccc(cc1)COCF 7a_100000238739_100015361967 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.71 N#Cc1ccc(cc1)CSCF 62a_100015361967_100000184898 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.71 N#Cc1ccc(cc1)NCCF 34a_100000185469_100011217306 [0,1,0,0,0,0|3,0,0]=4 2493 B12R1.71 N#Cc1ccc(cc1)NCCO 34a_100000185469_100000211926 [0,1,0,0,0,0|3,0,0]=4 2494 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,1,0,0,0,0|3,0,0]=4 2495 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,1,0,0,0,0|3,0,0]=4 2496 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,1,0,0,0,0|3,0,0]=4 2498 B12R1.71 N#Cc1ccc(cc1)SCCF 62a_100011217306_100000184291 [0,1,0,0,0,0|3,0,0]=4 2499 B12R1.71 N#Cc1ccc(cc1)SCCO 62a_100000211926_100000184291 [0,1,0,0,0,0|3,0,0]=4 2500 B12R1.71 NCc1ccc(cc1)COCF 34a_100015189231_100015361967 [0,1,0,0,0,0|3,0,0]=4 2501 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,1,0,0,0,0|3,0,0]=4 2502 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,1,0,0,0,0|3,0,0]=4 2503 B12R1.71 NCc1ccc(cc1)SCCF 62a_100011217306_100016989417 [0,1,0,0,0,0|3,0,0]=4 2504 B12R1.71 NCc1ccc(cc1)SCCF 62a_100016989417_100011217306 [0,1,0,0,0,0|3,0,0]=4 2505 B12R1.71 NCc1ccc(cc1)SCCO 62a_100000211926_100016989417 [0,1,0,0,0,0|3,0,0]=4 2506 B12R1.71 NCc1ccc(cc1)SCCO 62a_100016989417_100000211926 [0,1,0,0,0,0|3,0,0]=4 2507 B12R1.71 NNc1ccc(cc1)SCCF 62a_100011217306_100016988836 [0,1,0,0,0,0|3,0,0]=4 2508 B12R1.71 NNc1ccc(cc1)SCCF 62a_100016988836_100011217306 [0,1,0,0,0,0|3,0,0]=4 2509 B12R1.71 NNc1ccc(cc1)SCCO 62a_100000211926_100016988836 [0,1,0,0,0,0|3,0,0]=4 2510 B12R1.71 NNc1ccc(cc1)SCCO 62a_100016988836_100000211926 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100009816848_100015361967 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100015361967_100009816848 [0,1,0,0,0,0|3,0,0]=4 2513 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100000188517_100011217306 [0,1,0,0,0,0|3,0,0]=4 2514 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100011217306_100000188517 [0,1,0,0,0,0|3,0,0]=4 2515 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [0,1,0,0,0,0|3,0,0]=4 2516 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [0,1,0,0,0,0|3,0,0]=4 2517 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,1,0,0,0,0|3,0,0]=4 2518 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,1,0,0,0,0|3,0,0]=4 2519 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,1,0,0,0,0|3,0,0]=4 2520 B12R1.71 OCCSc1ccc(cc1)CF 62a_100000211926_100010268989 [0,1,0,0,0,0|3,0,0]=4 2521 B12R1.71 OCCSc1ccc(cc1)CF 62a_100010268989_100000211926 [0,1,0,0,0,0|3,0,0]=4 2522 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,1,0,0,0,0|3,0,0]=4 2523 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,1,0,0,0,0|3,0,0]=4 2524 B12R1.71 OCc1ccc(cc1)CNCF 34a_100015189231_100015361967 [0,1,0,0,0,0|3,0,0]=4 2525 B12R1.71 OCc1ccc(cc1)CSCF 62a_100000067286_100015361967 [0,1,0,0,0,0|3,0,0]=4 2526 B12R1.71 OCc1ccc(cc1)CSCF 62a_100015361967_100000067286 [0,1,0,0,0,0|3,0,0]=4 2527 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,1,0,0,0,0|3,0,0]=4 2528 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,1,0,0,0,0|3,0,0]=4 2529 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,1,0,0,0,0|3,0,0]=4 2530 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,1,0,0,0,0|3,0,0]=4 2531 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,1,0,0,0,0|3,0,0]=4 2532 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 2230a_100015189369_200025704644 [0,1,0,0,0,0|2,0,0]=3 2533 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 34a_100015189369_200025704644 [0,1,0,0,0,0|2,0,0]=3 2534 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,1,0,0,0,0|2,0,0]=3 2535 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,1,0,0,0,0|2,0,0]=3 2536 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,1,0,0,0,0|2,0,0]=3 2537 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 34a_100011219507_200025704644 [0,1,0,0,0,0|2,0,0]=3 2538 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 7a_100011219507_200025704644 [0,1,0,0,0,0|2,0,0]=3 2539 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,1,0,0,0,0|0,0,1]=2 2540 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,1,0,0,0,0|0,0,1]=2 2541 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,1,0,0,0,0|0,0,0]=1 2542 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,1,0,0,0,0|0,0,0]=1 2543 B12R1.71 [13CH3]SCCc1ccc(cc1)C#N 62a_200025704644_100012161189 [0,1,0,0,0,0|2,0,0]=3 2544 B12R1.71 [13CH3]Sc1ccc(cc1)C#CCO 62a_200025704644_100009814260 [0,1,0,0,0,0|0,1,2]=4 2545 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_100011216407_200025704644 [0,1,0,0,0,0|0,1,1]=3 2546 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_200025704644_100011216407 [0,1,0,0,0,0|0,1,1]=3 2547 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,1,0,0,0,0|0,1,1]=3 2548 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,1,0,0,0,0|0,1,1]=3 2549 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,1,0,0,0,0|0,1,0]=2 2550 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,1,0,0,0,0|0,1,0]=2 2551 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,1,0,0,0,0|0,1,0]=2 2552 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,1,0,0,0,0|0,1,0]=2 2553 B12R1.71 [13CH3]Sc1ccc(cc1)CSC#N 62a_200010141448_200025704644 [0,1,0,0,0,0|1,1,1]=4 2554 B12R1.71 [13CH3]Sc1ccc(cc1)CSC#N 62a_200025704644_200010141448 [0,1,0,0,0,0|1,1,1]=4 2555 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,1,0,0,0,0|1,1,1]=4 2556 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,1,0,0,0,0|1,1,1]=4 2557 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,1,0,0,0,0|1,1,0]=3 2558 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,1,0,0,0,0|1,1,0]=3 2559 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,1,0,0,0,0|1,1,0]=3 2560 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,1,0,0,0,0|1,1,0]=3 2561 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,1,0,0,0,0|1,1,0]=3 2562 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,1,0,0,0,0|1,1,0]=3 2563 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,1,0,0,0,0|1,1,0]=3 2564 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,1,0,0,0,0|1,1,0]=3 2565 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200013150534_200025704644 [0,1,0,0,0,0|2,1,0]=4 2566 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200025704644_200013150534 [0,1,0,0,0,0|2,1,0]=4 2567 B12R1.71 [13CH3]Sc1ccc(nc1)NCCN 62a_200011214600_200025704644 [0,1,0,0,0,0|2,1,0]=4 2568 B12R1.71 [13CH3]Sc1ccc(nc1)NCCN 62a_200025704644_200011214600 [0,1,0,0,0,0|2,1,0]=4 2569 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [0,1,0,0,0,0|1,0,2]=4 2570 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [0,1,0,0,0,0|1,0,2]=4 2571 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,1,0,0,0,0|2,0,1]=4 2572 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,1,0,0,0,0|2,0,1]=4 2573 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,1,0,0,0,0|1,0,0]=2 2574 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,1,0,0,0,0|2,0,0]=3 2575 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|2,0,0]=3 2576 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,1,0,0,0,0|2,0,0]=3 2577 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,1,0,0,0,0|2,0,0]=3 2578 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,1,0,0,0,0|3,0,0]=4 2579 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|2,0,0]=3 2580 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [0,1,0,0,0,0|2,0,0]=3 2581 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,1,0,0,0,0|2,0,0]=3 2582 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,1,0,0,0,0|2,0,0]=3 2583 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,1,0,0,0,0|2,0,0]=3 2584 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,1,0,0,0,0|3,0,0]=4 2585 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,1,0,0,0,0|3,0,0]=4 2586 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [0,1,0,0,0,0|2,0,0]=3 2587 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [0,1,0,0,0,0|2,0,0]=3 2588 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [0,1,0,0,0,0|2,0,0]=3 2589 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [0,1,0,0,0,0|3,0,0]=4 2590 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [0,1,0,0,0,0|3,0,0]=4 2591 B12R1.113 C=C(C)c1ccc(cn1)CCO 271570a_100000694244_100009880866 [0,1,0,0,0,0|3,0,0]=4 2592 B12R1.113 C=C(C)c1ccc(cn1)CNC 271570a_100000694244_100000026953 [0,1,0,0,0,0|3,0,0]=4 2593 B12R1.113 C=C(C)c1ccc(cn1)CSC 271570a_100000694244_100000753673 [0,1,0,0,0,0|3,0,0]=4 2594 B12R1.113 C=C(C)c1ccc(cn1)OCC 271570a_100000694244_100000753957 [0,1,0,0,0,0|3,0,0]=4 2595 B12R1.113 C=C(C)c1ccc(nc1)CCO 271570a_100000694244_100012357577 [0,1,0,0,0,0|3,0,0]=4 2596 B12R1.113 C=C(C)c1ccc(nc1)NCC 271570a_100000694244_100000741496 [0,1,0,0,0,0|3,0,0]=4 2597 B12R1.113 C=C(C)c1ccc(nc1)OCC 271570a_100000694244_100011219444 [0,1,0,0,0,0|3,0,0]=4 2598 B12R1.113 C=C(C)c1ccc(nc1)SCC 271570a_100000694244_100000690189 [0,1,0,0,0,0|3,0,0]=4 2599 B12R1.113 C=C(C)c1ncc(cn1)CCC 271570a_100000694244_100000039067 [0,1,0,0,0,0|3,0,0]=4 2600 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,1,0,0,0,0|1,0,2]=4 2601 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,1,0,0,0,0|1,0,2]=4 2602 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|2,0,1]=4 2603 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|2,0,0]=3 2604 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|2,0,0]=3 2605 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|2,0,0]=3 2606 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|2,0,0]=3 2607 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,0,0,0,0|3,0,0]=4 2608 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,0,0,0,0|3,0,0]=4 2609 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,0,0,0,0|3,0,0]=4 2610 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,0,0,0,0|3,0,0]=4 2611 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,1,0,0,0,0|2,0,0]=3 2612 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,1,0,0,0,0|2,0,0]=3 2613 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,1,0,0,0,0|2,0,0]=3 2614 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,1,0,0,0,0|2,0,0]=3 2615 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [0,1,0,0,0,0|2,0,0]=3 2616 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [0,1,0,0,0,0|2,0,0]=3 2617 B12R1.113 CC(C)c1ccc(cc1)NCF 34a_100000210773_100015361967 [0,1,0,0,0,0|3,0,0]=4 2618 B12R1.113 CC(C)c1ccc(cc1)NCF 7a_100000210773_100015361967 [0,1,0,0,0,0|3,0,0]=4 2619 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [0,1,0,0,0,0|3,0,0]=4 2620 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [0,1,0,0,0,0|3,0,0]=4 2621 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100000750031_100015361967 [0,1,0,0,0,0|3,0,0]=4 2622 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100015361967_100000750031 [0,1,0,0,0,0|3,0,0]=4 2623 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,1,0,0,0,0|2,0,0]=3 2624 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,1,0,0,0,0|2,0,0]=3 2625 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [0,1,0,0,0,0|3,0,0]=4 2626 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,1,0,0,0,0|3,0,0]=4 2627 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,1,0,0,0,0|3,0,0]=4 2628 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [0,1,0,0,0,0|3,0,0]=4 2629 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [0,1,0,0,0,0|3,0,0]=4 2630 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,1,0,0,0,0|1,0,2]=4 2631 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [0,1,0,0,0,0|1,0,2]=4 2632 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,1,0,0,0,0|1,0,2]=4 2633 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [0,1,0,0,0,0|1,0,2]=4 2634 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [0,1,0,0,0,0|0,1,2]=4 2635 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [0,1,0,0,0,0|1,0,2]=4 2636 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [0,1,0,0,0,0|1,0,2]=4 2637 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|1,0,0]=2 2638 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|1,0,0]=2 2639 B12R1.113 CCCc1cnc(nc1)N(C)C 27a_100102631434_100000039067 [0,1,0,0,0,0|3,0,0]=4 2640 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,1,0,0,0,0|3,0,0]=4 2641 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,1,0,0,0,0|3,0,0]=4 2642 B12R1.113 CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210202 [0,1,0,0,0,0|2,0,0]=3 2643 B12R1.113 CCNc1ccc(cc1)C(C)C 34a_100000210773_100000210202 [0,1,0,0,0,0|2,0,0]=3 2644 B12R1.113 CCNc1ccc(cc1)C(C)C 7a_100000210773_100000210202 [0,1,0,0,0,0|2,0,0]=3 2645 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [0,1,0,0,0,0|2,0,0]=3 2646 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [0,1,0,0,0,0|2,0,0]=3 2647 B12R1.113 CCNc1ccc(cc1)C(F)F 34a_100020620101_100000210202 [0,1,0,0,0,0|3,0,0]=4 2648 B12R1.113 CCNc1ccc(cc1)C(F)F 7a_100020620101_100000210202 [0,1,0,0,0,0|3,0,0]=4 2649 B12R1.113 CCNc1ccc(cc1)N(C)C 34a_100016997997_100000210202 [0,1,0,0,0,0|2,0,0]=3 2650 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,1,0,0,0,0|3,0,0]=4 2651 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,1,0,0,0,0|3,0,0]=4 2652 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [0,1,0,0,0,0|3,0,0]=4 2653 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,0,0,0,0|2,0,0]=3 2654 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,0,0,0,0|2,0,0]=3 2655 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,0,0,0,0|2,0,0]=3 2656 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,1,0,0,0,0|3,0,0]=4 2657 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,1,0,0,0,0|3,0,0]=4 2658 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,0,0,0,0|2,0,0]=3 2659 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [0,1,0,0,0,0|2,0,0]=3 2660 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [0,1,0,0,0,0|2,0,0]=3 2661 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,1,0,0,0,0|2,0,0]=3 2662 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,1,0,0,0,0|2,0,0]=3 2663 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 2664 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 2665 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [0,1,0,0,0,0|2,0,0]=3 2666 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 2667 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 2668 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 2669 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 2670 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,1,0,0,0,0|1,1,0]=3 2671 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,1,0,0,0,0|1,1,0]=3 2672 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [0,1,0,0,0,0|2,0,0]=3 2673 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,1,0,0,0,0|3,0,0]=4 2674 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,1,0,0,0,0|3,0,0]=4 2675 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [0,1,0,0,0,0|1,1,0]=3 2676 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [0,1,0,0,0,0|1,1,0]=3 2677 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,1,0,0,0,0|3,0,0]=4 2678 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,1,0,0,0,0|3,0,0]=4 2679 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000210202_100000754493 [0,1,0,0,0,0|3,0,0]=4 2680 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000754493_100000210202 [0,1,0,0,0,0|3,0,0]=4 2681 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,0,0,0,0|2,0,0]=3 2682 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,0,0,0,0|2,0,0]=3 2683 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,0,0,0,0|2,0,0]=3 2684 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,1,0,0,0,0|3,0,0]=4 2685 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,1,0,0,0,0|3,0,0]=4 2686 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,0,0,0,0|2,0,0]=3 2687 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000210202_100000750031 [0,1,0,0,0,0|2,0,0]=3 2688 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210202 [0,1,0,0,0,0|2,0,0]=3 2689 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [0,1,0,0,0,0|2,0,0]=3 2690 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [0,1,0,0,0,0|2,0,0]=3 2691 B12R1.113 CCSc1ccc(cc1)C(F)F 62a_100000210202_100000687661 [0,1,0,0,0,0|3,0,0]=4 2692 B12R1.113 CCSc1ccc(cc1)C(F)F 62a_100000687661_100000210202 [0,1,0,0,0,0|3,0,0]=4 2693 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210202_100000210421 [0,1,0,0,0,0|2,0,0]=3 2694 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210202 [0,1,0,0,0,0|2,0,0]=3 2695 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [0,1,0,0,0,0|1,1,0]=3 2696 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000210202_100000720352 [0,1,0,0,0,0|2,0,0]=3 2697 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210202 [0,1,0,0,0,0|2,0,0]=3 2698 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000210202_100000753911 [0,1,0,0,0,0|2,0,0]=3 2699 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210202 [0,1,0,0,0,0|2,0,0]=3 2700 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [0,1,0,0,0,0|3,0,0]=4 2701 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [0,1,0,0,0,0|3,0,0]=4 2702 B12R1.113 CCSc1ccc(cn1)C(C)C 62a_100000210202_200009815286 [0,1,0,0,0,0|3,0,0]=4 2703 B12R1.113 CCSc1ccc(cn1)C(C)C 62a_200009815286_100000210202 [0,1,0,0,0,0|3,0,0]=4 2704 B12R1.113 CCSc1ccc(cn1)C(C)O 62a_100000210202_200010274204 [0,1,0,0,0,0|3,0,0]=4 2705 B12R1.113 CCSc1ccc(cn1)C(C)O 62a_200010274204_100000210202 [0,1,0,0,0,0|3,0,0]=4 2706 B12R1.113 CCSc1ccc(cn1)N(C)C 62a_100000210202_100009992925 [0,1,0,0,0,0|3,0,0]=4 2707 B12R1.113 CCSc1ccc(cn1)N(C)C 62a_100009992925_100000210202 [0,1,0,0,0,0|3,0,0]=4 2708 B12R1.113 CCSc1ccc(cn1)[C@H](C)N 62a_100000210202_100015387476 [0,1,0,0,0,0|3,0,0]=4 2709 B12R1.113 CCSc1ccc(cn1)[C@H](C)N 62a_100015387476_100000210202 [0,1,0,0,0,0|3,0,0]=4 2710 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [0,1,0,0,0,0|3,0,0]=4 2711 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [0,1,0,0,0,0|3,0,0]=4 2712 B12R1.113 CCSc1ccc(nc1)C(C)C 62a_100000210202_100010255768 [0,1,0,0,0,0|3,0,0]=4 2713 B12R1.113 CCSc1ccc(nc1)C(C)C 62a_100010255768_100000210202 [0,1,0,0,0,0|3,0,0]=4 2714 B12R1.113 CCSc1ccc(nc1)C(C)N 62a_100000210202_100000723930 [0,1,0,0,0,0|3,0,0]=4 2715 B12R1.113 CCSc1ccc(nc1)C(C)N 62a_100000723930_100000210202 [0,1,0,0,0,0|3,0,0]=4 2716 B12R1.113 CCSc1ccc(nc1)C(C)O 62a_100000210202_100012353650 [0,1,0,0,0,0|3,0,0]=4 2717 B12R1.113 CCSc1ccc(nc1)C(C)O 62a_100012353650_100000210202 [0,1,0,0,0,0|3,0,0]=4 2718 B12R1.113 CCSc1ccc(nc1)N(C)C 62a_100000210202_100011465347 [0,1,0,0,0,0|3,0,0]=4 2719 B12R1.113 CCSc1ccc(nc1)N(C)C 62a_100011465347_100000210202 [0,1,0,0,0,0|3,0,0]=4 2720 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,1,0,0,0,0|2,0,0]=3 2721 B12R1.113 CN(C)c1ccc(cc1)NCF 34a_100016997997_100015361967 [0,1,0,0,0,0|3,0,0]=4 2722 B12R1.113 CN(C)c1ccc(cc1)OCF 34a_100000718910_100015361967 [0,1,0,0,0,0|3,0,0]=4 2723 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100000210421_100015361967 [0,1,0,0,0,0|3,0,0]=4 2724 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100015361967_100000210421 [0,1,0,0,0,0|3,0,0]=4 2725 B12R1.113 CN(C)c1ccc(cn1)CN[13CH3] 2230a_100000738136_200025704644 [0,1,0,0,0,0|3,0,0]=4 2726 B12R1.113 CNCc1ccc(cc1)B(O)O 2230a_106832991635_100009813762 [0,1,0,0,0,0|3,0,0]=4 2727 B12R1.113 CNCc1ccc(cc1)B(O)O 34a_100102657272_100009813762 [0,1,0,0,0,0|3,0,0]=4 2728 B12R1.113 CNCc1ccc(cc1)B(O)O 7a_106832991635_100009813762 [0,1,0,0,0,0|3,0,0]=4 2729 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|2,0,0]=3 2730 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|2,0,0]=3 2731 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|2,0,0]=3 2732 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|2,0,0]=3 2733 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,1,0,0,0,0|3,0,0]=4 2734 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,1,0,0,0,0|3,0,0]=4 2735 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,1,0,0,0,0|3,0,0]=4 2736 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,1,0,0,0,0|3,0,0]=4 2737 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,1,0,0,0,0|3,0,0]=4 2738 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,1,0,0,0,0|3,0,0]=4 2739 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,1,0,0,0,0|3,0,0]=4 2740 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,1,0,0,0,0|2,0,0]=3 2741 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,1,0,0,0,0|2,0,0]=3 2742 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,1,0,0,0,0|2,0,0]=3 2743 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,1,0,0,0,0|2,0,0]=3 2744 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,1,0,0,0,0|2,0,0]=3 2745 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,1,0,0,0,0|2,0,0]=3 2746 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,1,0,0,0,0|2,0,0]=3 2747 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,1,0,0,0,0|2,0,0]=3 2748 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,1,0,0,0,0|2,0,0]=3 2749 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,1,0,0,0,0|2,0,0]=3 2750 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,1,0,0,0,0|2,0,0]=3 2751 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_100025706676_200000210301 [0,1,0,0,0,0|3,0,0]=4 2752 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_106832991635_200012343607 [0,1,0,0,0,0|3,0,0]=4 2753 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100025706676_200000210301 [0,1,0,0,0,0|3,0,0]=4 2754 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100102657272_200012343607 [0,1,0,0,0,0|3,0,0]=4 2755 B12R1.113 CNCc1ccc(cc1)C(F)F 7a_106832991635_200012343607 [0,1,0,0,0,0|3,0,0]=4 2756 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,1,0,0,0,0|2,0,0]=3 2757 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,1,0,0,0,0|2,0,0]=3 2758 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,1,0,0,0,0|1,1,0]=3 2759 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,1,0,0,0,0|3,0,0]=4 2760 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,1,0,0,0,0|3,0,0]=4 2761 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,1,0,0,0,0|3,0,0]=4 2762 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,1,0,0,0,0|3,0,0]=4 2763 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,1,0,0,0,0|3,0,0]=4 2764 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,1,0,0,0,0|3,0,0]=4 2765 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,1,0,0,0,0|3,0,0]=4 2766 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,1,0,0,0,0|3,0,0]=4 2767 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,1,0,0,0,0|1,1,0]=3 2768 B12R1.113 CNCc1ccc(nc1)N(C)C 207a_100102657272_100000693196 [0,1,0,0,0,0|3,0,0]=4 2769 B12R1.113 CNCc1ccc(nc1)N(C)C 2230a_100000738136_200000210301 [0,1,0,0,0,0|3,0,0]=4 2770 B12R1.113 CNCc1ccc(nc1)N(C)C 270004a_106832991635_100000693196 [0,1,0,0,0,0|3,0,0]=4 2771 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,1,0,0,0,0|3,0,0]=4 2772 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|2,0,0]=3 2773 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|2,0,0]=3 2774 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|2,0,0]=3 2775 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,1,0,0,0,0|3,0,0]=4 2776 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,1,0,0,0,0|3,0,0]=4 2777 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,1,0,0,0,0|3,0,0]=4 2778 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|2,0,0]=3 2779 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2780 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,1,0,0,0,0|2,0,0]=3 2781 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2782 B12R1.113 COCc1ccc(cc1)C(F)F 34a_100138415774_200012343607 [0,1,0,0,0,0|3,0,0]=4 2783 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,1,0,0,0,0|2,0,0]=3 2784 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,1,0,0,0,0|3,0,0]=4 2785 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,1,0,0,0,0|3,0,0]=4 2786 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,1,0,0,0,0|2,1,0]=4 2787 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,1,0,0,0,0|2,1,0]=4 2788 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [0,1,0,0,0,0|2,1,0]=4 2789 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_100009813762_200000210301 [0,1,0,0,0,0|3,0,0]=4 2790 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_200000210301_100009813762 [0,1,0,0,0,0|3,0,0]=4 2791 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|2,0,0]=3 2792 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|2,0,0]=3 2793 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|2,0,0]=3 2794 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2795 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,1,0,0,0,0|3,0,0]=4 2796 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|2,0,0]=3 2797 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [0,1,0,0,0,0|2,0,0]=3 2798 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [0,1,0,0,0,0|2,0,0]=3 2799 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200000210301_200012343607 [0,1,0,0,0,0|3,0,0]=4 2800 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200012343607_200000210301 [0,1,0,0,0,0|3,0,0]=4 2801 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,1,0,0,0,0|3,0,0]=4 2802 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100000720352_100015361967 [0,1,0,0,0,0|3,0,0]=4 2803 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100015361967_100000720352 [0,1,0,0,0,0|3,0,0]=4 2804 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [0,1,0,0,0,0|3,0,0]=4 2805 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100000753911_100015361967 [0,1,0,0,0,0|3,0,0]=4 2806 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100000753911 [0,1,0,0,0,0|3,0,0]=4 2807 B12R1.113 C[S+](C)c1ccc(cc1)OCF 34a_100010188728_100015361967 [0,1,0,0,0,0|2,1,0]=4 2808 B12R1.113 C[S+](C)c1ccc(cc1)OCF 7a_100010188728_100015361967 [0,1,0,0,0,0|2,1,0]=4 2809 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|2,0,1]=4 2810 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|2,0,0]=3 2811 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,1,0,0,0,0|3,0,0]=4 2812 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 2230a_100025706676_200025704644 [0,1,0,0,0,0|3,0,0]=4 2813 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 34a_100025706676_200025704644 [0,1,0,0,0,0|3,0,0]=4 2814 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,1,0,0,0,0|3,0,0]=4 2815 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,1,0,0,0,0|3,0,0]=4 2816 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,1,0,0,0,0|3,0,0]=4 2817 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,1,0,0,0,0|3,0,0]=4 2818 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,1,0,0,0,0|3,0,0]=4 2819 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_100009813762_200025704644 [0,1,0,0,0,0|3,0,0]=4 2820 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_200025704644_100009813762 [0,1,0,0,0,0|3,0,0]=4 2821 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,1,0,0,0,0|3,0,0]=4 2822 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,1,0,0,0,0|3,0,0]=4 2823 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200012343607_200025704644 [0,1,0,0,0,0|3,0,0]=4 2824 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200025704644_200012343607 [0,1,0,0,0,0|3,0,0]=4 2825 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,1,0,0,0,0|3,0,0]=4 2826 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [0,1,0,0,0,0|0,0,3]=4 2827 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [0,1,0,0,0,0|0,0,3]=4 2828 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [0,1,0,0,0,0|0,0,3]=4 2829 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [0,1,0,0,0,0|0,0,3]=4 2830 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [0,1,0,0,0,0|0,0,3]=4 2831 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [0,1,0,0,0,0|2,0,1]=4 2832 B12R1.114 C=Cc1ccc(c(c1)F)CCO 271570a_100011290941_100011962869 [0,1,0,0,0,0|2,0,1]=4 2833 B12R1.114 C=Cc1ccc(c(c1)F)OCC 271570a_100011290941_200000171753 [0,1,0,0,0,0|2,0,1]=4 2834 B12R1.114 C=Cc1ccc(c(c1)N)COC 271570a_100011290941_100013084866 [0,1,0,0,0,0|2,0,1]=4 2835 B12R1.114 C=Cc1ccc(c(c1)N)OCC 271570a_100011290941_100000751366 [0,1,0,0,0,0|2,0,1]=4 2836 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [0,1,0,0,0,0|1,0,2]=4 2837 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,1,0,0,0,0|0,0,2]=3 2838 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [0,1,0,0,0,0|1,0,2]=4 2839 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,1,0,0,0,0|0,0,2]=3 2840 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [0,1,0,0,0,0|1,0,2]=4 2841 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [0,1,0,0,0,0|1,0,2]=4 2842 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,1,0,0,0,0|0,0,2]=3 2843 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [0,1,0,0,0,0|0,1,2]=4 2844 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,1,0,0,0,0|0,0,2]=3 2845 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,1,0,0,0,0|0,0,2]=3 2846 B12R1.114 CC=Cc1ccc(nc1C)OC 271570a_100016259895_100000766551 [0,1,0,0,0,0|1,0,2]=4 2847 B12R1.114 CC=Cc1ccc(nc1F)OC 271570a_100016259895_100010067559 [0,1,0,0,0,0|1,0,2]=4 2848 B12R1.114 CC=Cc1ccc(nc1N)OC 271570a_100016259895_100010187629 [0,1,0,0,0,0|1,0,2]=4 2849 B12R1.114 CC=Cc1cnc(cc1C)OC 271570a_100016259895_100011934368 [0,1,0,0,0,0|1,0,2]=4 2850 B12R1.114 CC=Cc1cnc(cc1F)OC 271570a_100016259895_100010136277 [0,1,0,0,0,0|1,0,2]=4 2851 B12R1.114 CC=Cc1cnc(cc1N)OC 271570a_100016259895_100010254562 [0,1,0,0,0,0|1,0,2]=4 2852 B12R1.114 CC=Cc1cnc(cc1O)OC 271570a_100016259895_100010738159 [0,1,0,0,0,0|1,0,2]=4 2853 B12R1.114 CC=Cc1ncc(cc1C)OC 271570a_100016259895_200009851512 [0,1,0,0,0,0|1,0,2]=4 2854 B12R1.114 CC=Cc1ncc(cc1N)OC 271570a_100016259895_100010074831 [0,1,0,0,0,0|1,0,2]=4 2855 B12R1.114 CCNc1ccc(cc1Br)C#N 34a_100000736769_100000210202 [0,1,0,0,0,0|3,0,0]=4 2856 B12R1.114 CCNc1ccc(cc1Br)C#N 7a_100000736769_100000210202 [0,1,0,0,0,0|3,0,0]=4 2857 B12R1.114 CCNc1ccc(cc1Br)CC 2230a_100012339725_100000210202 [0,1,0,0,0,0|2,0,0]=3 2858 B12R1.114 CCNc1ccc(cc1Br)CC 34a_100012339725_100000210202 [0,1,0,0,0,0|2,0,0]=3 2859 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [0,1,0,0,0,0|1,0,0]=2 2860 B12R1.114 CCNc1ccc(cc1C)C#N 34a_100011216260_100000210202 [0,1,0,0,0,0|3,0,0]=4 2861 B12R1.114 CCNc1ccc(cc1C)C#N 7a_100011216260_100000210202 [0,1,0,0,0,0|3,0,0]=4 2862 B12R1.114 CCNc1ccc(cc1C)CC 2230a_100011226020_100000210202 [0,1,0,0,0,0|2,0,0]=3 2863 B12R1.114 CCNc1ccc(cc1C)CC 34a_100011226020_100000210202 [0,1,0,0,0,0|2,0,0]=3 2864 B12R1.114 CCNc1ccc(cc1C)CC 7a_100011226020_100000210202 [0,1,0,0,0,0|2,0,0]=3 2865 B12R1.114 CCNc1ccc(cc1C)CO 2230a_200011997030_100000210202 [0,1,0,0,0,0|3,0,0]=4 2866 B12R1.114 CCNc1ccc(cc1C)CO 34a_200011997030_100000210202 [0,1,0,0,0,0|3,0,0]=4 2867 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [0,1,0,0,0,0|1,0,0]=2 2868 B12R1.114 CCNc1ccc(cc1Cl)C#N 34a_100000690208_100000210202 [0,1,0,0,0,0|3,0,0]=4 2869 B12R1.114 CCNc1ccc(cc1Cl)C#N 7a_100000690208_100000210202 [0,1,0,0,0,0|3,0,0]=4 2870 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [0,1,0,0,0,0|1,0,0]=2 2871 B12R1.114 CCNc1ccc(cc1F)C#N 34a_100000760432_100000210202 [0,1,0,0,0,0|3,0,0]=4 2872 B12R1.114 CCNc1ccc(cc1F)C#N 7a_100000760432_100000210202 [0,1,0,0,0,0|3,0,0]=4 2873 B12R1.114 CCNc1ccc(cc1F)CC 2230a_100016177294_100000210202 [0,1,0,0,0,0|2,0,0]=3 2874 B12R1.114 CCNc1ccc(cc1F)CC 34a_100016177294_100000210202 [0,1,0,0,0,0|2,0,0]=3 2875 B12R1.114 CCNc1ccc(cc1F)CO 2230a_100011217239_100000210202 [0,1,0,0,0,0|3,0,0]=4 2876 B12R1.114 CCNc1ccc(cc1F)CO 34a_100011217239_100000210202 [0,1,0,0,0,0|3,0,0]=4 2877 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [0,1,0,0,0,0|1,0,0]=2 2878 B12R1.114 CCNc1ccc(cc1F)SC 34a_100012056844_100000210202 [0,1,0,0,0,0|1,1,0]=3 2879 B12R1.114 CCNc1ccc(cc1I)C#N 7a_100000067503_100000210202 [0,1,0,0,0,0|3,0,0]=4 2880 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [0,1,0,0,0,0|1,0,0]=2 2881 B12R1.114 CCNc1ccc(cc1O)C#N 34a_100011997735_100000210202 [0,1,0,0,0,0|3,0,0]=4 2882 B12R1.114 CCNc1ccc(cc1O)CC 34a_100000124328_100000210202 [0,1,0,0,0,0|2,0,0]=3 2883 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [0,1,0,0,0,0|1,0,0]=2 2884 B12R1.114 CCNc1ncc(cc1C)SC 27a_100015525214_203440288091 [0,1,0,0,0,0|2,1,0]=4 2885 B12R1.114 CCOc1ccc(cc1Br)C#N 34a_100011216086_100000210202 [0,1,0,0,0,0|3,0,0]=4 2886 B12R1.114 CCOc1ccc(cc1Br)C#N 7a_100011216086_100000210202 [0,1,0,0,0,0|3,0,0]=4 2887 B12R1.114 CCOc1ccc(cc1Br)CC 34a_100012339963_100000210202 [0,1,0,0,0,0|2,0,0]=3 2888 B12R1.114 CCOc1ccc(cc1Br)CC 7a_100012339963_100000210202 [0,1,0,0,0,0|2,0,0]=3 2889 B12R1.114 CCOc1ccc(cc1Br)CO 34a_100011191544_100000210202 [0,1,0,0,0,0|3,0,0]=4 2890 B12R1.114 CCOc1ccc(cc1Br)CO 7a_100011191544_100000210202 [0,1,0,0,0,0|3,0,0]=4 2891 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [0,1,0,0,0,0|1,0,0]=2 2892 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [0,1,0,0,0,0|1,0,0]=2 2893 B12R1.114 CCOc1ccc(cc1C)C#N 34a_100000749339_100000210202 [0,1,0,0,0,0|3,0,0]=4 2894 B12R1.114 CCOc1ccc(cc1C)C#N 7a_100000749339_100000210202 [0,1,0,0,0,0|3,0,0]=4 2895 B12R1.114 CCOc1ccc(cc1C)CO 34a_100000075815_100000210202 [0,1,0,0,0,0|3,0,0]=4 2896 B12R1.114 CCOc1ccc(cc1C)CO 7a_100000075815_100000210202 [0,1,0,0,0,0|3,0,0]=4 2897 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [0,1,0,0,0,0|1,0,0]=2 2898 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [0,1,0,0,0,0|1,0,0]=2 2899 B12R1.114 CCOc1ccc(cc1C)SC 62a_100011308936_200000210301 [0,1,0,0,0,0|1,1,0]=3 2900 B12R1.114 CCOc1ccc(cc1C)SC 62a_200000210301_100011308936 [0,1,0,0,0,0|1,1,0]=3 2901 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_100011308936_200025704644 [0,1,0,0,0,0|1,1,0]=3 2902 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_200025704644_100011308936 [0,1,0,0,0,0|1,1,0]=3 2903 B12R1.114 CCOc1ccc(cc1Cl)C#N 34a_100000205955_100000210202 [0,1,0,0,0,0|3,0,0]=4 2904 B12R1.114 CCOc1ccc(cc1Cl)C#N 7a_100000205955_100000210202 [0,1,0,0,0,0|3,0,0]=4 2905 B12R1.114 CCOc1ccc(cc1Cl)NC 2230a_100000741444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2906 B12R1.114 CCOc1ccc(cc1Cl)NC 34a_100000741444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2907 B12R1.114 CCOc1ccc(cc1Cl)NC 7a_100000741444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2908 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 2230a_100000741444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2909 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 34a_100000741444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2910 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 7a_100000741444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2911 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [0,1,0,0,0,0|1,0,0]=2 2912 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [0,1,0,0,0,0|1,0,0]=2 2913 B12R1.114 CCOc1ccc(cc1F)C#N 34a_100000751310_100000210202 [0,1,0,0,0,0|3,0,0]=4 2914 B12R1.114 CCOc1ccc(cc1F)C#N 7a_100000751310_100000210202 [0,1,0,0,0,0|3,0,0]=4 2915 B12R1.114 CCOc1ccc(cc1F)CN 34a_100000758358_100000210202 [0,1,0,0,0,0|3,0,0]=4 2916 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [0,1,0,0,0,0|1,0,0]=2 2917 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [0,1,0,0,0,0|1,0,0]=2 2918 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [0,1,0,0,0,0|1,0,0]=2 2919 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [0,1,0,0,0,0|1,0,0]=2 2920 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [0,1,0,0,0,0|1,0,0]=2 2921 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [0,1,0,0,0,0|1,0,0]=2 2922 B12R1.114 CCOc1ccc(cc1F)SC 62a_200000171753_200000210301 [0,1,0,0,0,0|1,1,0]=3 2923 B12R1.114 CCOc1ccc(cc1F)SC 62a_200000210301_200000171753 [0,1,0,0,0,0|1,1,0]=3 2924 B12R1.114 CCOc1ccc(cc1F)S[13CH3] 62a_200000171753_200025704644 [0,1,0,0,0,0|1,1,0]=3 2925 B12R1.114 CCOc1ccc(cc1F)S[13CH3] 62a_200025704644_200000171753 [0,1,0,0,0,0|1,1,0]=3 2926 B12R1.114 CCOc1ccc(cc1I)C#N 34a_100000725478_100000210202 [0,1,0,0,0,0|3,0,0]=4 2927 B12R1.114 CCOc1ccc(cc1I)C#N 7a_100000725478_100000210202 [0,1,0,0,0,0|3,0,0]=4 2928 B12R1.114 CCOc1ccc(cc1N)C#N 34a_100000766272_100000210202 [0,1,0,0,0,0|3,0,0]=4 2929 B12R1.114 CCOc1ccc(cc1N)C#N 7a_100000766272_100000210202 [0,1,0,0,0,0|3,0,0]=4 2930 B12R1.114 CCOc1ccc(cc1N)CC 34a_100000765835_100000210202 [0,1,0,0,0,0|2,0,0]=3 2931 B12R1.114 CCOc1ccc(cc1N)CC 7a_100000765835_100000210202 [0,1,0,0,0,0|2,0,0]=3 2932 B12R1.114 CCOc1ccc(cc1N)CO 34a_100000123545_100000210202 [0,1,0,0,0,0|3,0,0]=4 2933 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [0,1,0,0,0,0|1,0,0]=2 2934 B12R1.114 CCOc1ccc(cc1N)SC 62a_100000751366_200000210301 [0,1,0,0,0,0|1,1,0]=3 2935 B12R1.114 CCOc1ccc(cc1N)S[13CH3] 62a_100000751366_200025704644 [0,1,0,0,0,0|1,1,0]=3 2936 B12R1.114 CCOc1ccc(cc1O)C#N 271570a_203496583355_100000189309 [0,1,0,0,0,0|3,0,0]=4 2937 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [0,1,0,0,0,0|3,0,0]=4 2938 B12R1.114 CCOc1ccc(cc1O)CO 271570a_203496583355_200011800839 [0,1,0,0,0,0|3,0,0]=4 2939 B12R1.114 CCOc1ccc(nc1C)OC 34a_200009873766_100000210202 [0,1,0,0,0,0|2,0,0]=3 2940 B12R1.114 CCOc1ncc(cc1C)SC 62a_100012351028_200000210301 [0,1,0,0,0,0|2,1,0]=4 2941 B12R1.114 CCOc1ncc(cc1C)SC 62a_200000210301_100012351028 [0,1,0,0,0,0|2,1,0]=4 2942 B12R1.114 CCOc1ncc(cc1C)S[13CH3] 62a_100012351028_200025704644 [0,1,0,0,0,0|2,1,0]=4 2943 B12R1.114 CCOc1ncc(cc1C)S[13CH3] 62a_200025704644_100012351028 [0,1,0,0,0,0|2,1,0]=4 2944 B12R1.114 CCOc1ncc(cc1N)SC 62a_100011433076_200000210301 [0,1,0,0,0,0|2,1,0]=4 2945 B12R1.114 CCOc1ncc(cc1N)SC 62a_200000210301_100011433076 [0,1,0,0,0,0|2,1,0]=4 2946 B12R1.114 CCOc1ncc(cc1N)S[13CH3] 62a_100011433076_200025704644 [0,1,0,0,0,0|2,1,0]=4 2947 B12R1.114 CCOc1ncc(cc1N)S[13CH3] 62a_200025704644_100011433076 [0,1,0,0,0,0|2,1,0]=4 2948 B12R1.114 CCSc1ccc(cc1Br)C#N 62a_100000210202_100012356348 [0,1,0,0,0,0|3,0,0]=4 2949 B12R1.114 CCSc1ccc(cc1Br)CC 62a_100000210202_200009997437 [0,1,0,0,0,0|2,0,0]=3 2950 B12R1.114 CCSc1ccc(cc1Br)CC 62a_200009997437_100000210202 [0,1,0,0,0,0|2,0,0]=3 2951 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [0,1,0,0,0,0|1,0,0]=2 2952 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [0,1,0,0,0,0|1,0,0]=2 2953 B12R1.114 CCSc1ccc(cc1C)C#N 62a_100000210202_100000212329 [0,1,0,0,0,0|3,0,0]=4 2954 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [0,1,0,0,0,0|3,0,0]=4 2955 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [0,1,0,0,0,0|3,0,0]=4 2956 B12R1.114 CCSc1ccc(cc1C)CN 62a_100000210202_100015205234 [0,1,0,0,0,0|3,0,0]=4 2957 B12R1.114 CCSc1ccc(cc1C)CN 62a_100015205234_100000210202 [0,1,0,0,0,0|3,0,0]=4 2958 B12R1.114 CCSc1ccc(cc1C)CO 62a_100000210202_100000718852 [0,1,0,0,0,0|3,0,0]=4 2959 B12R1.114 CCSc1ccc(cc1C)CO 62a_100000718852_100000210202 [0,1,0,0,0,0|3,0,0]=4 2960 B12R1.114 CCSc1ccc(cc1C)NC 62a_100000210202_100102888905 [0,1,0,0,0,0|2,0,0]=3 2961 B12R1.114 CCSc1ccc(cc1C)NC 62a_100102888905_100000210202 [0,1,0,0,0,0|2,0,0]=3 2962 B12R1.114 CCSc1ccc(cc1C)NN 62a_100000210202_100000745493 [0,1,0,0,0,0|3,0,0]=4 2963 B12R1.114 CCSc1ccc(cc1C)NN 62a_100000745493_100000210202 [0,1,0,0,0,0|3,0,0]=4 2964 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [0,1,0,0,0,0|1,0,0]=2 2965 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [0,1,0,0,0,0|1,0,0]=2 2966 B12R1.114 CCSc1ccc(cc1Cl)C#N 62a_100000210202_100012349663 [0,1,0,0,0,0|3,0,0]=4 2967 B12R1.114 CCSc1ccc(cc1Cl)CO 62a_100000210202_100000718186 [0,1,0,0,0,0|3,0,0]=4 2968 B12R1.114 CCSc1ccc(cc1Cl)CO 62a_100000718186_100000210202 [0,1,0,0,0,0|3,0,0]=4 2969 B12R1.114 CCSc1ccc(cc1F)C#N 62a_100000210202_100000050172 [0,1,0,0,0,0|3,0,0]=4 2970 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000210202_100000686674 [0,1,0,0,0,0|3,0,0]=4 2971 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000686674_100000210202 [0,1,0,0,0,0|3,0,0]=4 2972 B12R1.114 CCSc1ccc(cc1F)CC 62a_100000210202_200010339503 [0,1,0,0,0,0|2,0,0]=3 2973 B12R1.114 CCSc1ccc(cc1F)CC 62a_200010339503_100000210202 [0,1,0,0,0,0|2,0,0]=3 2974 B12R1.114 CCSc1ccc(cc1F)CN 62a_100000210202_100000755036 [0,1,0,0,0,0|3,0,0]=4 2975 B12R1.114 CCSc1ccc(cc1F)CN 62a_100000755036_100000210202 [0,1,0,0,0,0|3,0,0]=4 2976 B12R1.114 CCSc1ccc(cc1F)CO 62a_100000210202_100011533735 [0,1,0,0,0,0|3,0,0]=4 2977 B12R1.114 CCSc1ccc(cc1F)CO 62a_100011533735_100000210202 [0,1,0,0,0,0|3,0,0]=4 2978 B12R1.114 CCSc1ccc(cc1F)NC 62a_100000210202_100012285320 [0,1,0,0,0,0|2,0,0]=3 2979 B12R1.114 CCSc1ccc(cc1F)NC 62a_100012285320_100000210202 [0,1,0,0,0,0|2,0,0]=3 2980 B12R1.114 CCSc1ccc(cc1F)NN 62a_100000210202_100016992936 [0,1,0,0,0,0|3,0,0]=4 2981 B12R1.114 CCSc1ccc(cc1F)NN 62a_100016992936_100000210202 [0,1,0,0,0,0|3,0,0]=4 2982 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [0,1,0,0,0,0|1,0,0]=2 2983 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [0,1,0,0,0,0|1,0,0]=2 2984 B12R1.114 CCSc1ccc(cc1F)SC 62a_100000210202_100009816902 [0,1,0,0,0,0|1,1,0]=3 2985 B12R1.114 CCSc1ccc(cc1F)SC 62a_100009816902_100000210202 [0,1,0,0,0,0|1,1,0]=3 2986 B12R1.114 CCSc1ccc(cc1N)C#N 62a_100000210202_100012001879 [0,1,0,0,0,0|3,0,0]=4 2987 B12R1.114 CCSc1ccc(cc1N)CO 62a_100000210202_100012347568 [0,1,0,0,0,0|3,0,0]=4 2988 B12R1.114 CCSc1ccc(cc1N)CO 62a_100012347568_100000210202 [0,1,0,0,0,0|3,0,0]=4 2989 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [0,1,0,0,0,0|1,0,0]=2 2990 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [0,1,0,0,0,0|1,0,0]=2 2991 B12R1.114 CCSc1ccc(cc1O)C#N 62a_100000210202_100009877741 [0,1,0,0,0,0|3,0,0]=4 2992 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [0,1,0,0,0,0|3,0,0]=4 2993 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [0,1,0,0,0,0|3,0,0]=4 2994 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000049605_100000210202 [0,1,0,0,0,0|3,0,0]=4 2995 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000210202_100000049605 [0,1,0,0,0,0|3,0,0]=4 2996 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [0,1,0,0,0,0|1,0,0]=2 2997 B12R1.114 CCSc1ccc(nc1C)OC 62a_100000210202_100000766551 [0,1,0,0,0,0|2,0,0]=3 2998 B12R1.114 CCSc1ccc(nc1C)OC 62a_100000766551_100000210202 [0,1,0,0,0,0|2,0,0]=3 2999 B12R1.114 CCSc1ccc(nc1F)OC 62a_100000210202_100010067559 [0,1,0,0,0,0|2,0,0]=3 3000 B12R1.114 CCSc1ccc(nc1F)OC 62a_100010067559_100000210202 [0,1,0,0,0,0|2,0,0]=3 3001 B12R1.114 CCSc1ccc(nc1N)OC 62a_100010187629_100000210202 [0,1,0,0,0,0|2,0,0]=3 3002 B12R1.114 CCSc1cnc(cc1C)NC 62a_100000210202_100012352278 [0,1,0,0,0,0|3,0,0]=4 3003 B12R1.114 CCSc1cnc(cc1C)NC 62a_100012352278_100000210202 [0,1,0,0,0,0|3,0,0]=4 3004 B12R1.114 CCSc1cnc(cc1C)OC 62a_100000210202_100011934368 [0,1,0,0,0,0|2,0,0]=3 3005 B12R1.114 CCSc1cnc(cc1C)OC 62a_100011934368_100000210202 [0,1,0,0,0,0|2,0,0]=3 3006 B12R1.114 CCSc1cnc(cc1F)OC 62a_100000210202_100010136277 [0,1,0,0,0,0|2,0,0]=3 3007 B12R1.114 CCSc1cnc(cc1F)OC 62a_100010136277_100000210202 [0,1,0,0,0,0|2,0,0]=3 3008 B12R1.114 CCSc1cnc(cc1N)OC 62a_100000210202_100010254562 [0,1,0,0,0,0|2,0,0]=3 3009 B12R1.114 CCSc1cnc(cc1N)OC 62a_100010254562_100000210202 [0,1,0,0,0,0|2,0,0]=3 3010 B12R1.114 CCSc1cnc(cc1O)OC 62a_100000210202_100010738159 [0,1,0,0,0,0|2,0,0]=3 3011 B12R1.114 CCSc1cnc(cc1O)OC 62a_100010738159_100000210202 [0,1,0,0,0,0|2,0,0]=3 3012 B12R1.114 CCSc1cnc(nc1C)OC 62a_100000210202_100010152497 [0,1,0,0,0,0|3,0,0]=4 3013 B12R1.114 CCSc1cnc(nc1C)OC 62a_100010152497_100000210202 [0,1,0,0,0,0|3,0,0]=4 3014 B12R1.114 CCSc1cnc(nc1N)OC 62a_100000210202_100010218985 [0,1,0,0,0,0|3,0,0]=4 3015 B12R1.114 CCSc1cnc(nc1N)OC 62a_100010218985_100000210202 [0,1,0,0,0,0|3,0,0]=4 3016 B12R1.114 CCSc1ncc(cc1C)OC 62a_100000210202_200009851512 [0,1,0,0,0,0|2,0,0]=3 3017 B12R1.114 CCSc1ncc(cc1C)SC 62a_100000210202_203440288091 [0,1,0,0,0,0|2,1,0]=4 3018 B12R1.114 CCSc1ncc(cc1C)SC 62a_203440288091_100000210202 [0,1,0,0,0,0|2,1,0]=4 3019 B12R1.114 CCSc1ncc(cc1F)SC 62a_100000210202_100010884644 [0,1,0,0,0,0|2,1,0]=4 3020 B12R1.114 CCSc1ncc(cc1F)SC 62a_100010884644_100000210202 [0,1,0,0,0,0|2,1,0]=4 3021 B12R1.114 CCSc1ncc(cc1N)OC 62a_100000210202_100010074831 [0,1,0,0,0,0|2,0,0]=3 3022 B12R1.114 CCSc1ncc(cc1N)OC 62a_100010074831_100000210202 [0,1,0,0,0,0|2,0,0]=3 3023 B12R1.114 CCSc1ncc(nc1C)OC 62a_100000210202_200010730098 [0,1,0,0,0,0|3,0,0]=4 3024 B12R1.114 CCSc1ncc(nc1C)OC 62a_200010730098_100000210202 [0,1,0,0,0,0|3,0,0]=4 3025 B12R1.114 CCSc1ncc(nc1N)OC 62a_100000210202_100009955223 [0,1,0,0,0,0|3,0,0]=4 3026 B12R1.114 CCSc1ncc(nc1N)OC 62a_100009955223_100000210202 [0,1,0,0,0,0|3,0,0]=4 3027 B12R1.114 CCc1ccc(c(c1)Br)CNC 26a_100102657272_100012339963 [0,1,0,0,0,0|2,0,0]=3 3028 B12R1.114 CCc1ccc(c(c1)Br)NCF 34a_100012339725_100015361967 [0,1,0,0,0,0|3,0,0]=4 3029 B12R1.114 CCc1ccc(c(c1)Br)OCF 34a_100012339963_100015361967 [0,1,0,0,0,0|3,0,0]=4 3030 B12R1.114 CCc1ccc(c(c1)Br)OCF 7a_100012339963_100015361967 [0,1,0,0,0,0|3,0,0]=4 3031 B12R1.114 CCc1ccc(c(c1)Br)SCF 62a_100015361967_200009997437 [0,1,0,0,0,0|3,0,0]=4 3032 B12R1.114 CCc1ccc(c(c1)Br)SCF 62a_200009997437_100015361967 [0,1,0,0,0,0|3,0,0]=4 3033 B12R1.114 CCc1ccc(c(c1)C)NCF 34a_100011226020_100015361967 [0,1,0,0,0,0|3,0,0]=4 3034 B12R1.114 CCc1ccc(c(c1)C)NCF 7a_100011226020_100015361967 [0,1,0,0,0,0|3,0,0]=4 3035 B12R1.114 CCc1ccc(c(c1)F)CNC 207a_100102657272_100011156597 [0,1,0,0,0,0|2,0,0]=3 3036 B12R1.114 CCc1ccc(c(c1)F)CNC 270004a_106832991635_100011156597 [0,1,0,0,0,0|2,0,0]=3 3037 B12R1.114 CCc1ccc(c(c1)F)NCF 34a_100016177294_100015361967 [0,1,0,0,0,0|3,0,0]=4 3038 B12R1.114 CCc1ccc(c(c1)F)SCF 62a_100015361967_200010339503 [0,1,0,0,0,0|3,0,0]=4 3039 B12R1.114 CCc1ccc(c(c1)F)SCF 62a_200010339503_100015361967 [0,1,0,0,0,0|3,0,0]=4 3040 B12R1.114 CCc1ccc(c(c1)N)OCF 34a_100000765835_100015361967 [0,1,0,0,0,0|3,0,0]=4 3041 B12R1.114 CCc1ccc(c(c1)N)OCF 7a_100000765835_100015361967 [0,1,0,0,0,0|3,0,0]=4 3042 B12R1.114 CCc1ccc(c(c1)O)NCF 34a_100000124328_100015361967 [0,1,0,0,0,0|3,0,0]=4 3043 B12R1.114 CNCc1ccc(cc1Br)C#N 207a_100102657272_100012355658 [0,1,0,0,0,0|3,0,0]=4 3044 B12R1.114 CNCc1ccc(cc1Br)C#N 2230a_106832991635_100000694769 [0,1,0,0,0,0|3,0,0]=4 3045 B12R1.114 CNCc1ccc(cc1Br)C#N 26a_100102657272_100011216086 [0,1,0,0,0,0|3,0,0]=4 3046 B12R1.114 CNCc1ccc(cc1Br)C#N 270004a_106832991635_100012355658 [0,1,0,0,0,0|3,0,0]=4 3047 B12R1.114 CNCc1ccc(cc1Br)C#N 34a_100102657272_100000694769 [0,1,0,0,0,0|3,0,0]=4 3048 B12R1.114 CNCc1ccc(cc1Br)C#N 34a_114948178924_200000210301 [0,1,0,0,0,0|3,0,0]=4 3049 B12R1.114 CNCc1ccc(cc1Br)C#N 7a_106832991635_100000694769 [0,1,0,0,0,0|3,0,0]=4 3050 B12R1.114 CNCc1ccc(cc1Br)CO 26a_100102657272_100011191544 [0,1,0,0,0,0|3,0,0]=4 3051 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [0,1,0,0,0,0|1,0,0]=2 3052 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [0,1,0,0,0,0|1,0,0]=2 3053 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [0,1,0,0,0,0|1,0,0]=2 3054 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [0,1,0,0,0,0|1,0,0]=2 3055 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [0,1,0,0,0,0|1,0,0]=2 3056 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [0,1,0,0,0,0|1,0,0]=2 3057 B12R1.114 CNCc1ccc(cc1C)C#N 207a_100102657272_100012187669 [0,1,0,0,0,0|3,0,0]=4 3058 B12R1.114 CNCc1ccc(cc1C)C#N 270004a_106832991635_100012187669 [0,1,0,0,0,0|3,0,0]=4 3059 B12R1.114 CNCc1ccc(cc1C)CO 207a_100102657272_100015695768 [0,1,0,0,0,0|3,0,0]=4 3060 B12R1.114 CNCc1ccc(cc1C)CO 270004a_106832991635_100015695768 [0,1,0,0,0,0|3,0,0]=4 3061 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [0,1,0,0,0,0|1,0,0]=2 3062 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [0,1,0,0,0,0|1,0,0]=2 3063 B12R1.114 CNCc1ccc(cc1Cl)C#N 207a_100102657272_100012001878 [0,1,0,0,0,0|3,0,0]=4 3064 B12R1.114 CNCc1ccc(cc1Cl)C#N 2230a_106832991635_100000709902 [0,1,0,0,0,0|3,0,0]=4 3065 B12R1.114 CNCc1ccc(cc1Cl)C#N 26a_100102657272_100000205955 [0,1,0,0,0,0|3,0,0]=4 3066 B12R1.114 CNCc1ccc(cc1Cl)C#N 270004a_106832991635_100012001878 [0,1,0,0,0,0|3,0,0]=4 3067 B12R1.114 CNCc1ccc(cc1Cl)C#N 34a_100102657272_100000709902 [0,1,0,0,0,0|3,0,0]=4 3068 B12R1.114 CNCc1ccc(cc1Cl)C#N 7a_106832991635_100000709902 [0,1,0,0,0,0|3,0,0]=4 3069 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [0,1,0,0,0,0|1,0,0]=2 3070 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [0,1,0,0,0,0|1,0,0]=2 3071 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [0,1,0,0,0,0|1,0,0]=2 3072 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [0,1,0,0,0,0|1,0,0]=2 3073 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [0,1,0,0,0,0|1,0,0]=2 3074 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [0,1,0,0,0,0|1,0,0]=2 3075 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [0,1,0,0,0,0|1,0,0]=2 3076 B12R1.114 CNCc1ccc(cc1F)C#N 207a_100102657272_100000688119 [0,1,0,0,0,0|3,0,0]=4 3077 B12R1.114 CNCc1ccc(cc1F)C#N 2230a_106832991635_100000239720 [0,1,0,0,0,0|3,0,0]=4 3078 B12R1.114 CNCc1ccc(cc1F)C#N 26a_100102657272_100000751310 [0,1,0,0,0,0|3,0,0]=4 3079 B12R1.114 CNCc1ccc(cc1F)C#N 270004a_106832991635_100000688119 [0,1,0,0,0,0|3,0,0]=4 3080 B12R1.114 CNCc1ccc(cc1F)C#N 34a_100000749714_200000210301 [0,1,0,0,0,0|3,0,0]=4 3081 B12R1.114 CNCc1ccc(cc1F)C#N 34a_100102657272_100000239720 [0,1,0,0,0,0|3,0,0]=4 3082 B12R1.114 CNCc1ccc(cc1F)C#N 7a_106832991635_100000239720 [0,1,0,0,0,0|3,0,0]=4 3083 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [0,1,0,0,0,0|1,0,0]=2 3084 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [0,1,0,0,0,0|1,0,0]=2 3085 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [0,1,0,0,0,0|1,0,0]=2 3086 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [0,1,0,0,0,0|1,0,0]=2 3087 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [0,1,0,0,0,0|1,0,0]=2 3088 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [0,1,0,0,0,0|1,0,0]=2 3089 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [0,1,0,0,0,0|1,0,0]=2 3090 B12R1.114 CNCc1ccc(cc1I)C#N 2230a_106832991635_100010079267 [0,1,0,0,0,0|3,0,0]=4 3091 B12R1.114 CNCc1ccc(cc1I)C#N 34a_100102657272_100010079267 [0,1,0,0,0,0|3,0,0]=4 3092 B12R1.114 CNCc1ccc(cc1I)C#N 7a_106832991635_100010079267 [0,1,0,0,0,0|3,0,0]=4 3093 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [0,1,0,0,0,0|1,0,0]=2 3094 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [0,1,0,0,0,0|1,0,0]=2 3095 B12R1.114 CNCc1ccc(nc1C)OC 207a_100102657272_100000101190 [0,1,0,0,0,0|2,0,0]=3 3096 B12R1.114 CNCc1ccc(nc1C)OC 270004a_106832991635_100000101190 [0,1,0,0,0,0|2,0,0]=3 3097 B12R1.114 CNCc1ccc(nc1Cl)OC 207a_100102657272_200012001695 [0,1,0,0,0,0|2,0,0]=3 3098 B12R1.114 CNCc1cnc(cc1C)OC 207a_100102657272_100000085380 [0,1,0,0,0,0|2,0,0]=3 3099 B12R1.114 CNCc1cnc(cc1C)OC 270004a_106832991635_100000085380 [0,1,0,0,0,0|2,0,0]=3 3100 B12R1.114 CNCc1ncc(cc1Br)OC 207a_100102657272_200010135874 [0,1,0,0,0,0|2,0,0]=3 3101 B12R1.114 CNCc1ncc(cc1Br)OC 270004a_106832991635_200010135874 [0,1,0,0,0,0|2,0,0]=3 3102 B12R1.114 CNCc1ncc(cc1C)OC 2230a_200009843444_200000210301 [0,1,0,0,0,0|2,0,0]=3 3103 B12R1.114 CNCc1ncc(cc1C)OC 34a_200009843444_200000210301 [0,1,0,0,0,0|2,0,0]=3 3104 B12R1.114 CNc1ccc(c(c1)C)SCF 62a_100015361967_100102888905 [0,1,0,0,0,0|3,0,0]=4 3105 B12R1.114 CNc1ccc(c(c1)C)SCF 62a_100102888905_100015361967 [0,1,0,0,0,0|3,0,0]=4 3106 B12R1.114 CNc1ccc(c(c1)F)COC 34a_100012145864_200000210301 [0,1,0,0,0,0|2,0,0]=3 3107 B12R1.114 CNc1ccc(c(c1)F)COC 7a_100012145864_200000210301 [0,1,0,0,0,0|2,0,0]=3 3108 B12R1.114 CNc1ccc(c(c1)F)SCF 62a_100012285320_100015361967 [0,1,0,0,0,0|3,0,0]=4 3109 B12R1.114 CNc1ccc(c(c1)F)SCF 62a_100015361967_100012285320 [0,1,0,0,0,0|3,0,0]=4 3110 B12R1.114 COCc1ccc(cc1Br)C#N 34a_100010214422_200000210301 [0,1,0,0,0,0|3,0,0]=4 3111 B12R1.114 COCc1ccc(cc1Br)C#N 34a_100138415774_100000694769 [0,1,0,0,0,0|3,0,0]=4 3112 B12R1.114 COCc1ccc(cc1Br)C#N 7a_100010214422_200000210301 [0,1,0,0,0,0|3,0,0]=4 3113 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [0,1,0,0,0,0|1,0,0]=2 3114 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [0,1,0,0,0,0|1,0,0]=2 3115 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [0,1,0,0,0,0|1,0,0]=2 3116 B12R1.114 COCc1ccc(cc1Cl)C#N 34a_100138415774_100000709902 [0,1,0,0,0,0|3,0,0]=4 3117 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [0,1,0,0,0,0|1,0,0]=2 3118 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [0,1,0,0,0,0|1,0,0]=2 3119 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [0,1,0,0,0,0|1,0,0]=2 3120 B12R1.114 COCc1ccc(cc1F)C#N 34a_100000752871_200000210301 [0,1,0,0,0,0|3,0,0]=4 3121 B12R1.114 COCc1ccc(cc1F)C#N 34a_100138415774_100000239720 [0,1,0,0,0,0|3,0,0]=4 3122 B12R1.114 COCc1ccc(cc1F)C#N 7a_100000752871_200000210301 [0,1,0,0,0,0|3,0,0]=4 3123 B12R1.114 COCc1ccc(cc1F)N[13CH3] 34a_100012145864_200025704644 [0,1,0,0,0,0|2,0,0]=3 3124 B12R1.114 COCc1ccc(cc1F)N[13CH3] 7a_100012145864_200025704644 [0,1,0,0,0,0|2,0,0]=3 3125 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [0,1,0,0,0,0|1,0,0]=2 3126 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [0,1,0,0,0,0|1,0,0]=2 3127 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [0,1,0,0,0,0|1,0,0]=2 3128 B12R1.114 COCc1ccc(cc1I)C#N 34a_100138415774_100010079267 [0,1,0,0,0,0|3,0,0]=4 3129 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|1,0,0]=2 3130 B12R1.114 COCc1ccc(cc1N)SC 62a_100013084866_200000210301 [0,1,0,0,0,0|1,1,0]=3 3131 B12R1.114 COCc1ccc(cc1N)SC 62a_200000210301_100013084866 [0,1,0,0,0,0|1,1,0]=3 3132 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_100013084866_200025704644 [0,1,0,0,0,0|1,1,0]=3 3133 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_200025704644_100013084866 [0,1,0,0,0,0|1,1,0]=3 3134 B12R1.114 COCc1ccc(nc1Cl)OC 34a_100009885603_200000210301 [0,1,0,0,0,0|2,0,0]=3 3135 B12R1.114 COc1cc(c(cn1)SCF)C 62a_100011934368_100015361967 [0,1,0,0,0,0|3,0,0]=4 3136 B12R1.114 COc1cc(c(cn1)SCF)C 62a_100015361967_100011934368 [0,1,0,0,0,0|3,0,0]=4 3137 B12R1.114 COc1cc(c(cn1)SCF)F 62a_100010136277_100015361967 [0,1,0,0,0,0|3,0,0]=4 3138 B12R1.114 COc1cc(c(cn1)SCF)F 62a_100015361967_100010136277 [0,1,0,0,0,0|3,0,0]=4 3139 B12R1.114 COc1cc(c(cn1)SCF)N 62a_100010254562_100015361967 [0,1,0,0,0,0|3,0,0]=4 3140 B12R1.114 COc1cc(c(cn1)SCF)N 62a_100015361967_100010254562 [0,1,0,0,0,0|3,0,0]=4 3141 B12R1.114 COc1cc(c(cn1)SCF)O 62a_100010738159_100015361967 [0,1,0,0,0,0|3,0,0]=4 3142 B12R1.114 COc1cc(c(cn1)SCF)O 62a_100015361967_100010738159 [0,1,0,0,0,0|3,0,0]=4 3143 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [0,1,0,0,0,0|1,0,0]=2 3144 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [0,1,0,0,0,0|1,0,0]=2 3145 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [0,1,0,0,0,0|1,0,0]=2 3146 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [0,1,0,0,0,0|1,0,0]=2 3147 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [0,1,0,0,0,0|1,0,0]=2 3148 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [0,1,0,0,0,0|1,0,0]=2 3149 B12R1.114 COc1ccc(c(c1)Br)NCF 34a_100015195136_100015361967 [0,1,0,0,0,0|2,0,0]=3 3150 B12R1.114 COc1ccc(c(c1)Br)OCF 34a_100000685887_100015361967 [0,1,0,0,0,0|2,0,0]=3 3151 B12R1.114 COc1ccc(c(c1)Br)OCF 7a_100000685887_100015361967 [0,1,0,0,0,0|2,0,0]=3 3152 B12R1.114 COc1ccc(c(c1)Br)SCF 62a_100012349170_100015361967 [0,1,0,0,0,0|2,0,0]=3 3153 B12R1.114 COc1ccc(c(c1)Br)SCF 62a_100015361967_100012349170 [0,1,0,0,0,0|2,0,0]=3 3154 B12R1.114 COc1ccc(c(c1)C)NCF 34a_100000750285_100015361967 [0,1,0,0,0,0|2,0,0]=3 3155 B12R1.114 COc1ccc(c(c1)C)OCF 34a_100012002223_100015361967 [0,1,0,0,0,0|2,0,0]=3 3156 B12R1.114 COc1ccc(c(c1)C)OCF 7a_100012002223_100015361967 [0,1,0,0,0,0|2,0,0]=3 3157 B12R1.114 COc1ccc(c(c1)C)SCF 62a_100000759875_100015361967 [0,1,0,0,0,0|2,0,0]=3 3158 B12R1.114 COc1ccc(c(c1)C)SCF 62a_100015361967_100000759875 [0,1,0,0,0,0|2,0,0]=3 3159 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [0,1,0,0,0,0|1,0,0]=2 3160 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [0,1,0,0,0,0|1,0,0]=2 3161 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [0,1,0,0,0,0|1,0,0]=2 3162 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [0,1,0,0,0,0|1,0,0]=2 3163 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [0,1,0,0,0,0|1,0,0]=2 3164 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [0,1,0,0,0,0|1,0,0]=2 3165 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [0,1,0,0,0,0|1,0,0]=2 3166 B12R1.114 COc1ccc(c(c1)Cl)NCF 34a_100000747055_100015361967 [0,1,0,0,0,0|2,0,0]=3 3167 B12R1.114 COc1ccc(c(c1)Cl)OCF 34a_100000038596_100015361967 [0,1,0,0,0,0|2,0,0]=3 3168 B12R1.114 COc1ccc(c(c1)Cl)OCF 7a_100000038596_100015361967 [0,1,0,0,0,0|2,0,0]=3 3169 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [0,1,0,0,0,0|1,0,0]=2 3170 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [0,1,0,0,0,0|1,0,0]=2 3171 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [0,1,0,0,0,0|1,0,0]=2 3172 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [0,1,0,0,0,0|1,0,0]=2 3173 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [0,1,0,0,0,0|1,0,0]=2 3174 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [0,1,0,0,0,0|1,0,0]=2 3175 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [0,1,0,0,0,0|1,0,0]=2 3176 B12R1.114 COc1ccc(c(c1)F)NCF 34a_100011299463_100015361967 [0,1,0,0,0,0|2,0,0]=3 3177 B12R1.114 COc1ccc(c(c1)F)OCF 34a_100000036999_100015361967 [0,1,0,0,0,0|2,0,0]=3 3178 B12R1.114 COc1ccc(c(c1)F)OCF 7a_100000036999_100015361967 [0,1,0,0,0,0|2,0,0]=3 3179 B12R1.114 COc1ccc(c(c1)F)SCF 62a_100000753793_100015361967 [0,1,0,0,0,0|2,0,0]=3 3180 B12R1.114 COc1ccc(c(c1)F)SCF 62a_100015361967_100000753793 [0,1,0,0,0,0|2,0,0]=3 3181 B12R1.114 COc1ccc(c(c1)I)NCF 34a_100000049804_100015361967 [0,1,0,0,0,0|2,0,0]=3 3182 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [0,1,0,0,0,0|1,0,0]=2 3183 B12R1.114 COc1ccc(c(c1)N)OCF 34a_100000188146_100015361967 [0,1,0,0,0,0|2,0,0]=3 3184 B12R1.114 COc1ccc(c(c1)N)SCF 62a_100000748021_100015361967 [0,1,0,0,0,0|2,0,0]=3 3185 B12R1.114 COc1ccc(c(c1)N)SCF 62a_100015361967_100000748021 [0,1,0,0,0,0|2,0,0]=3 3186 B12R1.114 COc1ccc(c(c1)O)CC#N 271570a_203496583355_100010146818 [0,1,0,0,0,0|1,0,1]=3 3187 B12R1.114 COc1ccc(c(c1)O)NCF 34a_100016989039_100015361967 [0,1,0,0,0,0|2,0,0]=3 3188 B12R1.114 COc1ccc(c(c1)O)SCF 62a_100015361967_100000719091 [0,1,0,0,0,0|2,0,0]=3 3189 B12R1.114 COc1ccc(c(n1)C)OCF 34a_200009873766_100015361967 [0,1,0,0,0,0|3,0,0]=4 3190 B12R1.114 COc1ccc(c(n1)C)SCF 62a_100000766551_100015361967 [0,1,0,0,0,0|3,0,0]=4 3191 B12R1.114 COc1ccc(c(n1)C)SCF 62a_100015361967_100000766551 [0,1,0,0,0,0|3,0,0]=4 3192 B12R1.114 COc1ccc(c(n1)Cl)CO[13CH3] 34a_100009885603_200025704644 [0,1,0,0,0,0|2,0,0]=3 3193 B12R1.114 COc1ccc(c(n1)F)SCF 62a_100010067559_100015361967 [0,1,0,0,0,0|3,0,0]=4 3194 B12R1.114 COc1ccc(c(n1)F)SCF 62a_100015361967_100010067559 [0,1,0,0,0,0|3,0,0]=4 3195 B12R1.114 COc1ccc(c(n1)N)SCF 62a_100010187629_100015361967 [0,1,0,0,0,0|3,0,0]=4 3196 B12R1.114 COc1cnc(c(c1)C)CN[13CH3] 2230a_200009843444_200025704644 [0,1,0,0,0,0|2,0,0]=3 3197 B12R1.114 COc1cnc(c(c1)C)CN[13CH3] 34a_200009843444_200025704644 [0,1,0,0,0,0|2,0,0]=3 3198 B12R1.114 COc1cnc(c(c1)C)SCF 62a_100015361967_200009851512 [0,1,0,0,0,0|3,0,0]=4 3199 B12R1.114 COc1cnc(c(c1)N)SCF 62a_100010074831_100015361967 [0,1,0,0,0,0|3,0,0]=4 3200 B12R1.114 COc1cnc(c(c1)N)SCF 62a_100015361967_100010074831 [0,1,0,0,0,0|3,0,0]=4 3201 B12R1.114 CSCc1ccc(cc1Br)C#N 62a_100000694769_200000210301 [0,1,0,0,0,0|3,0,0]=4 3202 B12R1.114 CSCc1ccc(cc1Br)C#N 62a_200000210301_100000694769 [0,1,0,0,0,0|3,0,0]=4 3203 B12R1.114 CSCc1ccc(cc1Cl)C#N 62a_200000210301_100000709902 [0,1,0,0,0,0|3,0,0]=4 3204 B12R1.114 CSCc1ccc(cc1F)C#N 62a_200000210301_100000239720 [0,1,0,0,0,0|3,0,0]=4 3205 B12R1.114 CSCc1ccc(cc1I)C#N 62a_100010079267_200000210301 [0,1,0,0,0,0|3,0,0]=4 3206 B12R1.114 CSCc1ccc(cc1I)C#N 62a_200000210301_100010079267 [0,1,0,0,0,0|3,0,0]=4 3207 B12R1.114 CSc1ccc(c(c1)C)CC#N 62a_100000697864_200000210301 [0,1,0,0,0,0|1,1,1]=4 3208 B12R1.114 CSc1ccc(c(c1)C)CC#N 62a_200000210301_100000697864 [0,1,0,0,0,0|1,1,1]=4 3209 B12R1.114 CSc1ccc(c(c1)F)CC#N 62a_100011295474_200000210301 [0,1,0,0,0,0|1,1,1]=4 3210 B12R1.114 CSc1ccc(c(c1)F)CC#N 62a_200000210301_100011295474 [0,1,0,0,0,0|1,1,1]=4 3211 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_100011962869_200000210301 [0,1,0,0,0,0|1,1,0]=3 3212 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_200000210301_100011962869 [0,1,0,0,0,0|1,1,0]=3 3213 B12R1.114 CSc1ccc(c(c1)F)NCF 34a_100012056844_100015361967 [0,1,0,0,0,0|2,1,0]=4 3214 B12R1.114 CSc1ccc(c(c1)F)SCF 62a_100009816902_100015361967 [0,1,0,0,0,0|2,1,0]=4 3215 B12R1.114 CSc1ccc(c(c1)F)SCF 62a_100015361967_100009816902 [0,1,0,0,0,0|2,1,0]=4 3216 B12R1.114 Cc1cc(ccc1CC#N)S[13CH3] 62a_100000697864_200025704644 [0,1,0,0,0,0|1,1,1]=4 3217 B12R1.114 Cc1cc(ccc1CC#N)S[13CH3] 62a_200025704644_100000697864 [0,1,0,0,0,0|1,1,1]=4 3218 B12R1.114 [13CH3]NCc1ccc(cc1Br)C#N 34a_114948178924_200025704644 [0,1,0,0,0,0|3,0,0]=4 3219 B12R1.114 [13CH3]NCc1ccc(cc1F)C#N 34a_100000749714_200025704644 [0,1,0,0,0,0|3,0,0]=4 3220 B12R1.114 [13CH3]OCc1ccc(cc1Br)C#N 34a_100010214422_200025704644 [0,1,0,0,0,0|3,0,0]=4 3221 B12R1.114 [13CH3]OCc1ccc(cc1Br)C#N 7a_100010214422_200025704644 [0,1,0,0,0,0|3,0,0]=4 3222 B12R1.114 [13CH3]OCc1ccc(cc1F)C#N 34a_100000752871_200025704644 [0,1,0,0,0,0|3,0,0]=4 3223 B12R1.114 [13CH3]OCc1ccc(cc1F)C#N 7a_100000752871_200025704644 [0,1,0,0,0,0|3,0,0]=4 3224 B12R1.114 [13CH3]SCc1ccc(cc1Br)C#N 62a_100000694769_200025704644 [0,1,0,0,0,0|3,0,0]=4 3225 B12R1.114 [13CH3]SCc1ccc(cc1Br)C#N 62a_200025704644_100000694769 [0,1,0,0,0,0|3,0,0]=4 3226 B12R1.114 [13CH3]SCc1ccc(cc1Cl)C#N 62a_200025704644_100000709902 [0,1,0,0,0,0|3,0,0]=4 3227 B12R1.114 [13CH3]SCc1ccc(cc1F)C#N 62a_200025704644_100000239720 [0,1,0,0,0,0|3,0,0]=4 3228 B12R1.114 [13CH3]SCc1ccc(cc1I)C#N 62a_100010079267_200025704644 [0,1,0,0,0,0|3,0,0]=4 3229 B12R1.114 [13CH3]SCc1ccc(cc1I)C#N 62a_200025704644_100010079267 [0,1,0,0,0,0|3,0,0]=4 3230 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CC#N 62a_100011295474_200025704644 [0,1,0,0,0,0|1,1,1]=4 3231 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CC#N 62a_200025704644_100011295474 [0,1,0,0,0,0|1,1,1]=4 3232 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_100011962869_200025704644 [0,1,0,0,0,0|1,1,0]=3 3233 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_200025704644_100011962869 [0,1,0,0,0,0|1,1,0]=3 3234 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [0,1,0,0,0,0|2,0,0]=3 3235 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [0,1,0,0,0,0|2,0,0]=3 3236 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [0,1,0,0,0,0|0,1,2]=4 3237 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [0,1,0,0,0,0|0,1,2]=4 3238 B12R1.116 C=C=Cc1ccc(cc1)CCC 271570a_100015277604_100000750032 [0,1,0,0,0,0|1,0,1]=3 3239 B12R1.116 C=C=Cc1ccc(cc1)CCN 271570a_100015277604_100000755846 [0,1,0,0,0,0|2,0,1]=4 3240 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [0,1,0,0,0,0|2,0,1]=4 3241 B12R1.116 C=C=Cc1ccc(cc1)CNC 271570a_100015277604_100000180866 [0,1,0,0,0,0|2,0,1]=4 3242 B12R1.116 C=C=Cc1ccc(cc1)COC 271570a_100015277604_100011493685 [0,1,0,0,0,0|0,0,3]=4 3243 B12R1.116 C=C=Cc1ccc(cc1)NCC 271570a_100015277604_100000219632 [0,1,0,0,0,0|2,0,1]=4 3244 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [0,1,0,0,0,0|0,0,3]=4 3245 B12R1.116 C=C=Cc1ccc(cc1)SCC 271570a_100015277604_200009811893 [0,1,0,0,0,0|2,0,1]=4 3246 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [0,1,0,0,0,0|1,0,2]=4 3247 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,1,0,0,0,0|0,0,2]=3 3248 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,1,0,0,0,0|0,0,2]=3 3249 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,1,0,0,0,0|0,0,2]=3 3250 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,1,0,0,0,0|0,0,2]=3 3251 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [0,1,0,0,0,0|1,0,1]=3 3252 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [0,1,0,0,0,0|1,0,1]=3 3253 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [0,1,0,0,0,0|2,0,1]=4 3254 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [0,1,0,0,0,0|2,0,1]=4 3255 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [0,1,0,0,0,0|1,0,2]=4 3256 B12R1.116 CC=Cc1ccc(cc1)CC#N 271570a_100016259895_100011217881 [0,1,0,0,0,0|2,0,1]=4 3257 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [0,1,0,0,0,0|2,0,1]=4 3258 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [0,1,0,0,0,0|1,0,0]=2 3259 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [0,1,0,0,0,0|2,0,0]=3 3260 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,1,0,0,0,0|2,0,0]=3 3261 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [0,1,0,0,0,0|2,0,0]=3 3262 B12R1.116 CC=Cc1ccc(cc1)CNN 271570a_100016259895_100016993955 [0,1,0,0,0,0|3,0,0]=4 3263 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [0,1,0,0,0,0|0,0,2]=3 3264 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [0,1,0,0,0,0|2,0,0]=3 3265 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,1,0,0,0,0|0,0,2]=3 3266 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [0,1,0,0,0,0|2,0,0]=3 3267 B12R1.116 CC=Cc1ccc(cn1)CCO 271570a_100016259895_100009880866 [0,1,0,0,0,0|3,0,0]=4 3268 B12R1.116 CC=Cc1ccc(cn1)CNC 271570a_100016259895_100000026953 [0,1,0,0,0,0|3,0,0]=4 3269 B12R1.116 CC=Cc1ccc(cn1)CSC 271570a_100016259895_100000753673 [0,1,0,0,0,0|3,0,0]=4 3270 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [0,1,0,0,0,0|1,0,2]=4 3271 B12R1.116 CC=Cc1ccc(nc1)CCO 271570a_100016259895_100012357577 [0,1,0,0,0,0|3,0,0]=4 3272 B12R1.116 CC=Cc1ccc(nc1)NCC 271570a_100016259895_100000741496 [0,1,0,0,0,0|3,0,0]=4 3273 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [0,1,0,0,0,0|1,0,2]=4 3274 B12R1.116 CC=Cc1ccc(nc1)SCC 271570a_100016259895_100000690189 [0,1,0,0,0,0|3,0,0]=4 3275 B12R1.116 CC=Cc1ncc(cn1)CCC 271570a_100016259895_100000039067 [0,1,0,0,0,0|3,0,0]=4 3276 B12R1.116 CCCc1ccc(cc1)CNC 207a_100102657272_100000229940 [0,1,0,0,0,0|1,0,0]=2 3277 B12R1.116 CCCc1ccc(cc1)CNC 2230a_100020632977_200000210301 [0,1,0,0,0,0|1,0,0]=2 3278 B12R1.116 CCCc1ccc(cc1)CNC 2230a_106832991635_100011982809 [0,1,0,0,0,0|1,0,0]=2 3279 B12R1.116 CCCc1ccc(cc1)CNC 26a_100102657272_100000749406 [0,1,0,0,0,0|1,0,0]=2 3280 B12R1.116 CCCc1ccc(cc1)CNC 270004a_106832991635_100000229940 [0,1,0,0,0,0|1,0,0]=2 3281 B12R1.116 CCCc1ccc(cc1)CNC 34a_100020632977_200000210301 [0,1,0,0,0,0|1,0,0]=2 3282 B12R1.116 CCCc1ccc(cc1)CNC 34a_100102657272_100011982809 [0,1,0,0,0,0|1,0,0]=2 3283 B12R1.116 CCCc1ccc(cc1)CNC 7a_106832991635_100011982809 [0,1,0,0,0,0|1,0,0]=2 3284 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 2230a_100020632977_200025704644 [0,1,0,0,0,0|1,0,0]=2 3285 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 34a_100020632977_200025704644 [0,1,0,0,0,0|1,0,0]=2 3286 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [0,1,0,0,0,0|0,0,0]=1 3287 B12R1.116 CCCc1ccc(cc1)CSC 62a_100011982809_200000210301 [0,1,0,0,0,0|0,1,0]=2 3288 B12R1.116 CCCc1ccc(cc1)CSC 62a_200000210301_100011982809 [0,1,0,0,0,0|0,1,0]=2 3289 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_100011982809_200025704644 [0,1,0,0,0,0|0,1,0]=2 3290 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982809 [0,1,0,0,0,0|0,1,0]=2 3291 B12R1.116 CCCc1ccc(cc1)NCC 2230a_100000211780_100000210202 [0,1,0,0,0,0|1,0,0]=2 3292 B12R1.116 CCCc1ccc(cc1)NCC 34a_100000211780_100000210202 [0,1,0,0,0,0|1,0,0]=2 3293 B12R1.116 CCCc1ccc(cc1)NCF 34a_100000211780_100015361967 [0,1,0,0,0,0|1,0,0]=2 3294 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [0,1,0,0,0,0|0,0,0]=1 3295 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [0,1,0,0,0,0|0,0,0]=1 3296 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [0,1,0,0,0,0|0,0,0]=1 3297 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [0,1,0,0,0,0|0,0,0]=1 3298 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000210202_100000750032 [0,1,0,0,0,0|0,1,0]=2 3299 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000750032_100000210202 [0,1,0,0,0,0|0,1,0]=2 3300 B12R1.116 CCCc1ccc(cc1)SCF 62a_100000750032_100015361967 [0,1,0,0,0,0|0,1,0]=2 3301 B12R1.116 CCCc1ccc(cc1)SCF 62a_100015361967_100000750032 [0,1,0,0,0,0|0,1,0]=2 3302 B12R1.116 CCCc1cnc(nc1)NCC 27a_100015525214_100000039067 [0,1,0,0,0,0|3,0,0]=4 3303 B12R1.116 CCCc1cnc(nc1)SCC 62a_100000039067_100000210202 [0,1,0,0,0,0|2,1,0]=4 3304 B12R1.116 CCCc1cnc(nc1)SCC 62a_100000210202_100000039067 [0,1,0,0,0,0|2,1,0]=4 3305 B12R1.116 CCCc1cnc(nc1)SCF 62a_100000039067_100015361967 [0,1,0,0,0,0|2,1,0]=4 3306 B12R1.116 CCCc1cnc(nc1)SCF 62a_100015361967_100000039067 [0,1,0,0,0,0|2,1,0]=4 3307 B12R1.116 CCNc1ccc(cc1)CC#N 34a_100000198999_100000210202 [0,1,0,0,0,0|2,0,1]=4 3308 B12R1.116 CCNc1ccc(cc1)CCO 2230a_100011204434_100000210202 [0,1,0,0,0,0|2,0,0]=3 3309 B12R1.116 CCNc1ccc(cc1)CCO 34a_100011204434_100000210202 [0,1,0,0,0,0|2,0,0]=3 3310 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [0,1,0,0,0,0|1,0,0]=2 3311 B12R1.116 CCNc1ccc(cc1)CSC 2230a_106726388226_100000210202 [0,1,0,0,0,0|1,1,0]=3 3312 B12R1.116 CCNc1ccc(cc1)CSC 34a_106726388226_100000210202 [0,1,0,0,0,0|1,1,0]=3 3313 B12R1.116 CCNc1ccc(cc1)CSC 7a_106726388226_100000210202 [0,1,0,0,0,0|1,1,0]=3 3314 B12R1.116 CCNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_100000210202 [0,1,0,0,0,0|3,0,0]=4 3315 B12R1.116 CCNc1ccc(cc1)OCC 2230a_100000739623_100000210202 [0,1,0,0,0,0|1,0,0]=2 3316 B12R1.116 CCNc1ccc(cc1)OCC 34a_100000739623_100000210202 [0,1,0,0,0,0|1,0,0]=2 3317 B12R1.116 CCNc1ccc(cc1)OCC 34a_100011337800_100000210202 [0,1,0,0,0,0|1,0,0]=2 3318 B12R1.116 CCNc1ccc(cc1)OCC 7a_100011337800_100000210202 [0,1,0,0,0,0|1,0,0]=2 3319 B12R1.116 CCNc1ccc(cc1)OCF 34a_100011337800_100015361967 [0,1,0,0,0,0|1,0,0]=2 3320 B12R1.116 CCNc1ccc(cc1)OCF 7a_100011337800_100015361967 [0,1,0,0,0,0|1,0,0]=2 3321 B12R1.116 CCNc1ccc(cc1)SCC 34a_100015187087_100000210202 [0,1,0,0,0,0|1,1,0]=3 3322 B12R1.116 CCNc1ccc(cc1)SCC 62a_100000210202_100000219632 [0,1,0,0,0,0|1,1,0]=3 3323 B12R1.116 CCNc1ccc(cc1)SCF 62a_100015361967_100000219632 [0,1,0,0,0,0|1,1,0]=3 3324 B12R1.116 CCNc1ccc(cn1)SCC 62a_100000210202_100000741496 [0,1,0,0,0,0|2,1,0]=4 3325 B12R1.116 CCNc1ccc(cn1)SCC 62a_100000741496_100000210202 [0,1,0,0,0,0|2,1,0]=4 3326 B12R1.116 CCNc1ccc(cn1)SCF 62a_100000741496_100015361967 [0,1,0,0,0,0|2,1,0]=4 3327 B12R1.116 CCNc1ccc(cn1)SCF 62a_100015361967_100000741496 [0,1,0,0,0,0|2,1,0]=4 3328 B12R1.116 CCNc1ccc(nn1)OCC 27a_100015525214_100000757289 [0,1,0,0,0,0|3,0,0]=4 3329 B12R1.116 CCNc1ncc(cn1)OCC 27a_100015525214_100000099823 [0,1,0,0,0,0|3,0,0]=4 3330 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [0,1,0,0,0,0|1,0,1]=3 3331 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [0,1,0,0,0,0|1,0,1]=3 3332 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [0,1,0,0,0,0|1,0,0]=2 3333 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [0,1,0,0,0,0|1,0,0]=2 3334 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [0,1,0,0,0,0|1,0,0]=2 3335 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [0,1,0,0,0,0|1,0,0]=2 3336 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [0,1,0,0,0,0|1,0,0]=2 3337 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [0,1,0,0,0,0|1,0,0]=2 3338 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [0,1,0,0,0,0|1,0,0]=2 3339 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [0,1,0,0,0,0|1,0,0]=2 3340 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [0,1,0,0,0,0|1,0,0]=2 3341 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [0,1,0,0,0,0|1,0,0]=2 3342 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [0,1,0,0,0,0|1,0,0]=2 3343 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [0,1,0,0,0,0|1,0,0]=2 3344 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [0,1,0,0,0,0|1,0,0]=2 3345 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [0,1,0,0,0,0|1,0,0]=2 3346 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [0,1,0,0,0,0|1,0,0]=2 3347 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [0,1,0,0,0,0|1,0,0]=2 3348 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [0,1,0,0,0,0|1,0,0]=2 3349 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [0,1,0,0,0,0|1,0,0]=2 3350 B12R1.116 CCOc1ccc(cc1)NCF 34a_100000739623_100015361967 [0,1,0,0,0,0|2,0,0]=3 3351 B12R1.116 CCOc1ccc(cc1)OCC 34a_100000185467_100000210202 [0,1,0,0,0,0|1,0,0]=2 3352 B12R1.116 CCOc1ccc(cc1)OCF 34a_100000185467_100015361967 [0,1,0,0,0,0|1,0,0]=2 3353 B12R1.116 CCOc1ccc(cc1)SCC 62a_100000210202_100000171712 [0,1,0,0,0,0|1,0,0]=2 3354 B12R1.116 CCOc1ccc(cc1)SCF 62a_100015361967_100000171712 [0,1,0,0,0,0|1,1,0]=3 3355 B12R1.116 CCOc1ccc(cn1)CNC 207a_100102657272_100012002837 [0,1,0,0,0,0|2,0,0]=3 3356 B12R1.116 CCOc1ccc(cn1)CNC 2230a_100102710506_200000210301 [0,1,0,0,0,0|2,0,0]=3 3357 B12R1.116 CCOc1ccc(cn1)CNC 270004a_106832991635_100012002837 [0,1,0,0,0,0|2,0,0]=3 3358 B12R1.116 CCOc1ccc(cn1)CN[13CH3] 2230a_100102710506_200025704644 [0,1,0,0,0,0|2,0,0]=3 3359 B12R1.116 CCOc1ccc(cn1)SCC 62a_100000210202_100011219444 [0,1,0,0,0,0|2,0,0]=3 3360 B12R1.116 CCOc1ccc(cn1)SCC 62a_100011219444_100000210202 [0,1,0,0,0,0|2,0,0]=3 3361 B12R1.116 CCOc1ccc(cn1)SCF 62a_100011219444_100015361967 [0,1,0,0,0,0|2,1,0]=4 3362 B12R1.116 CCOc1ccc(cn1)SCF 62a_100015361967_100011219444 [0,1,0,0,0,0|2,1,0]=4 3363 B12R1.116 CCOc1ccc(nc1)COC 34a_200012645146_200000210301 [0,1,0,0,0,0|2,0,0]=3 3364 B12R1.116 CCOc1ccc(nc1)CO[13CH3] 34a_200012645146_200025704644 [0,1,0,0,0,0|2,0,0]=3 3365 B12R1.116 CCOc1ccc(nc1)SCC 62a_100000210202_100000753957 [0,1,0,0,0,0|2,0,0]=3 3366 B12R1.116 CCOc1ccc(nc1)SCC 62a_100012355646_100000210202 [0,1,0,0,0,0|2,0,0]=3 3367 B12R1.116 CCOc1ccc(nc1)SCF 62a_100012355646_100015361967 [0,1,0,0,0,0|2,1,0]=4 3368 B12R1.116 CCOc1ccc(nc1)SCF 62a_100015361967_100000753957 [0,1,0,0,0,0|2,1,0]=4 3369 B12R1.116 CCOc1ccc(nn1)SCC 62a_100000210202_100000757289 [0,1,0,0,0,0|3,0,0]=4 3370 B12R1.116 CCOc1cnc(cn1)SCC 62a_100000210202_200012356188 [0,1,0,0,0,0|3,0,0]=4 3371 B12R1.116 CCOc1cnc(cn1)SCC 62a_200012356188_100000210202 [0,1,0,0,0,0|3,0,0]=4 3372 B12R1.116 CCOc1cnc(nc1)SCC 62a_100000099823_100000210202 [0,1,0,0,0,0|3,0,0]=4 3373 B12R1.116 CCOc1cnc(nc1)SCC 62a_100000210202_100000099823 [0,1,0,0,0,0|3,0,0]=4 3374 B12R1.116 CCOc1ncc(cn1)SCC 62a_100000210202_100011934766 [0,1,0,0,0,0|3,0,0]=4 3375 B12R1.116 CCOc1ncc(cn1)SCC 62a_100011934766_100000210202 [0,1,0,0,0,0|3,0,0]=4 3376 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [0,1,0,0,0,0|2,0,1]=4 3377 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [0,1,0,0,0,0|2,0,1]=4 3378 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100000210202_100011217881 [0,1,0,0,0,0|1,1,1]=4 3379 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100011217881_100000210202 [0,1,0,0,0,0|1,1,1]=4 3380 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,1,0,0,0,0|1,1,1]=4 3381 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,1,0,0,0,0|1,1,1]=4 3382 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000210202_100000755846 [0,1,0,0,0,0|1,1,0]=3 3383 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000755846_100000210202 [0,1,0,0,0,0|1,1,0]=3 3384 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000210202_100000766406 [0,1,0,0,0,0|1,1,0]=3 3385 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000766406_100000210202 [0,1,0,0,0,0|1,1,0]=3 3386 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000180866_100000210202 [0,1,0,0,0,0|1,1,0]=3 3387 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000210202_100000180866 [0,1,0,0,0,0|1,1,0]=3 3388 B12R1.116 CCSc1ccc(cc1)CNN 62a_100000210202_100016993955 [0,1,0,0,0,0|2,1,0]=4 3389 B12R1.116 CCSc1ccc(cc1)CNN 62a_100016993955_100000210202 [0,1,0,0,0,0|2,1,0]=4 3390 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [0,1,0,0,0,0|1,0,0]=2 3391 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [0,1,0,0,0,0|1,0,0]=2 3392 B12R1.116 CCSc1ccc(cc1)N=[N+]=[N-] 62a_100000210202_100000735661 [0,1,0,0,0,0|3,0,0]=4 3393 B12R1.116 CCSc1ccc(cc1)NC#N 62a_100000210202_100011685341 [0,1,0,0,0,0|2,0,1]=4 3394 B12R1.116 CCSc1ccc(cc1)NCF 34a_100015187087_100015361967 [0,1,0,0,0,0|2,0,0]=3 3395 B12R1.116 CCSc1ccc(cc1)SCC 62a_100000210202_200009811893 [0,1,0,0,0,0|1,1,0]=3 3396 B12R1.116 CCSc1ccc(cc1)SCC 62a_200009811893_100000210202 [0,1,0,0,0,0|1,1,0]=3 3397 B12R1.116 CCSc1ccc(cc1)SCF 62a_100015361967_200009811893 [0,1,0,0,0,0|1,1,0]=3 3398 B12R1.116 CCSc1ccc(cc1)SCF 62a_200009811893_100015361967 [0,1,0,0,0,0|1,1,0]=3 3399 B12R1.116 CCSc1ccc(cn1)CCO 62a_100000210202_100009880866 [0,1,0,0,0,0|2,1,0]=4 3400 B12R1.116 CCSc1ccc(cn1)CCO 62a_100009880866_100000210202 [0,1,0,0,0,0|2,1,0]=4 3401 B12R1.116 CCSc1ccc(cn1)CNC 62a_100000026953_100000210202 [0,1,0,0,0,0|2,1,0]=4 3402 B12R1.116 CCSc1ccc(cn1)CNC 62a_100000210202_100000026953 [0,1,0,0,0,0|2,1,0]=4 3403 B12R1.116 CCSc1ccc(cn1)CSC 62a_100000210202_100000753673 [0,1,0,0,0,0|2,1,0]=4 3404 B12R1.116 CCSc1ccc(cn1)CSC 62a_100000753673_100000210202 [0,1,0,0,0,0|2,1,0]=4 3405 B12R1.116 CCSc1ccc(cn1)SCF 62a_100000690189_100015361967 [0,1,0,0,0,0|2,1,0]=4 3406 B12R1.116 CCSc1ccc(cn1)SCF 62a_100015361967_100000690189 [0,1,0,0,0,0|2,1,0]=4 3407 B12R1.116 CCSc1ccc(nc1)CCO 62a_100000210202_100012357577 [0,1,0,0,0,0|2,1,0]=4 3408 B12R1.116 CCSc1ccc(nc1)CCO 62a_100012357577_100000210202 [0,1,0,0,0,0|2,1,0]=4 3409 B12R1.116 CCSc1ccc(nc1)SCC 62a_100000210202_100000690189 [0,1,0,0,0,0|2,1,0]=4 3410 B12R1.116 CCSc1ccc(nc1)SCC 62a_100000690189_100000210202 [0,1,0,0,0,0|2,1,0]=4 3411 B12R1.116 CNCc1ccc(cc1)CCBr 26a_100102657272_100009816426 [0,1,0,0,0,0|2,0,0]=3 3412 B12R1.116 CNCc1ccc(cc1)CCN 26a_100102657272_100000743037 [0,1,0,0,0,0|2,0,0]=3 3413 B12R1.116 CNCc1ccc(cc1)CCO 26a_100102657272_100011215338 [0,1,0,0,0,0|2,0,0]=3 3414 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [0,1,0,0,0,0|1,0,0]=2 3415 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [0,1,0,0,0,0|1,0,0]=2 3416 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [0,1,0,0,0,0|1,0,0]=2 3417 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [0,1,0,0,0,0|1,0,0]=2 3418 B12R1.116 CNCc1ccc(cc1)SCF 62a_100000180866_100015361967 [0,1,0,0,0,0|1,1,0]=3 3419 B12R1.116 CNCc1ccc(cc1)SCF 62a_100015361967_100000180866 [0,1,0,0,0,0|1,1,0]=3 3420 B12R1.116 CNCc1ccc(nc1)SCF 62a_100000026953_100015361967 [0,1,0,0,0,0|2,1,0]=4 3421 B12R1.116 CNCc1ccc(nc1)SCF 62a_100015361967_100000026953 [0,1,0,0,0,0|2,1,0]=4 3422 B12R1.116 CNCc1cnc(nc1)COC 207a_100102657272_200011746662 [0,1,0,0,0,0|3,0,0]=4 3423 B12R1.116 CNCc1cnc(nc1)COC 270004a_106832991635_200011746662 [0,1,0,0,0,0|3,0,0]=4 3424 B12R1.116 COCc1ccc(cc1)CC#N 7a_100000695229_200000210301 [0,1,0,0,0,0|1,0,1]=3 3425 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [0,1,0,0,0,0|1,0,0]=2 3426 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [0,1,0,0,0,0|1,0,0]=2 3427 B12R1.116 COCc1ccc(cc1)NCF 34a_100000694113_100015361967 [0,1,0,0,0,0|2,0,0]=3 3428 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [0,1,0,0,0,0|1,0,0]=2 3429 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [0,1,0,0,0,0|1,0,0]=2 3430 B12R1.116 COCc1ccc(cc1)SCF 62a_100011493685_100015361967 [0,1,0,0,0,0|1,1,0]=3 3431 B12R1.116 COCc1ccc(cc1)SCF 62a_100015361967_100011493685 [0,1,0,0,0,0|1,1,0]=3 3432 B12R1.116 CSCc1ccc(cc1)NCF 34a_106726388226_100015361967 [0,1,0,0,0,0|2,0,0]=3 3433 B12R1.116 CSCc1ccc(cc1)NCF 7a_106726388226_100015361967 [0,1,0,0,0,0|2,0,0]=3 3434 B12R1.116 CSCc1ccc(nc1)SCF 62a_100000753673_100015361967 [0,1,0,0,0,0|2,1,0]=4 3435 B12R1.116 CSCc1ccc(nc1)SCF 62a_100015361967_100000753673 [0,1,0,0,0,0|2,1,0]=4 3436 B12R1.116 FCOc1ccc(cc1)CCBr 34a_100009816426_100015361967 [0,1,0,0,0,0|1,0,0]=2 3437 B12R1.116 FCOc1ccc(cc1)CCBr 7a_100009816426_100015361967 [0,1,0,0,0,0|1,0,0]=2 3438 B12R1.116 N#CCc1ccc(cc1)NCF 34a_100000198999_100015361967 [0,1,0,0,0,0|2,0,1]=4 3439 B12R1.116 N#CCc1ccc(cc1)OCF 34a_100000198970_100015361967 [0,1,0,0,0,0|1,0,1]=3 3440 B12R1.116 N#CCc1ccc(cc1)OCF 7a_100000198970_100015361967 [0,1,0,0,0,0|1,0,1]=3 3441 B12R1.116 N#CCc1ccc(cc1)SCF 62a_100011217881_100015361967 [0,1,0,0,0,0|1,1,1]=4 3442 B12R1.116 N#CCc1ccc(cc1)SCF 62a_100015361967_100011217881 [0,1,0,0,0,0|1,1,1]=4 3443 B12R1.116 NCCc1ccc(cc1)OCF 34a_100000743037_100015361967 [0,1,0,0,0,0|1,0,0]=2 3444 B12R1.116 NCCc1ccc(cc1)SCF 62a_100000755846_100015361967 [0,1,0,0,0,0|1,1,0]=3 3445 B12R1.116 NCCc1ccc(cc1)SCF 62a_100015361967_100000755846 [0,1,0,0,0,0|1,1,0]=3 3446 B12R1.116 NNCc1ccc(cc1)SCF 62a_100015361967_100016993955 [0,1,0,0,0,0|2,1,0]=4 3447 B12R1.116 NNCc1ccc(cc1)SCF 62a_100016993955_100015361967 [0,1,0,0,0,0|2,1,0]=4 3448 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,1,0,0,0,0|1,1,1]=4 3449 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,1,0,0,0,0|1,1,1]=4 3450 B12R1.116 OCCc1ccc(cc1)NCF 34a_100011204434_100015361967 [0,1,0,0,0,0|2,0,0]=3 3451 B12R1.116 OCCc1ccc(cc1)OCF 34a_100011215338_100015361967 [0,1,0,0,0,0|1,0,0]=2 3452 B12R1.116 OCCc1ccc(cc1)OCF 7a_100011215338_100015361967 [0,1,0,0,0,0|1,0,0]=2 3453 B12R1.116 OCCc1ccc(cc1)SCF 62a_100000766406_100015361967 [0,1,0,0,0,0|1,1,0]=3 3454 B12R1.116 OCCc1ccc(cc1)SCF 62a_100015361967_100000766406 [0,1,0,0,0,0|1,1,0]=3 3455 B12R1.116 OCCc1ccc(cn1)SCF 62a_100012357577_100015361967 [0,1,0,0,0,0|2,1,0]=4 3456 B12R1.116 OCCc1ccc(cn1)SCF 62a_100015361967_100012357577 [0,1,0,0,0,0|2,1,0]=4 3457 B12R1.116 OCCc1ccc(nc1)SCF 62a_100009880866_100015361967 [0,1,0,0,0,0|2,1,0]=4 3458 B12R1.116 OCCc1ccc(nc1)SCF 62a_100015361967_100009880866 [0,1,0,0,0,0|2,1,0]=4 3459 B12R1.116 [13CH3]OCc1ccc(cc1)CC#N 7a_100000695229_200025704644 [0,1,0,0,0,0|1,0,1]=3 3460 B12R1.288 C#Cc1ccc(cc1Cl)NCC 2230a_100012001888_100000210202 [0,1,0,0,0,0|2,0,1]=4 3461 B12R1.288 C#Cc1ccc(cc1Cl)NCC 34a_100012001888_100000210202 [0,1,0,0,0,0|2,0,1]=4 3462 B12R1.288 C#Cc1ccc(cc1F)NCC 2230a_100012001886_100000210202 [0,1,0,0,0,0|2,0,1]=4 3463 B12R1.288 C#Cc1ccc(cc1F)NCC 34a_100012001886_100000210202 [0,1,0,0,0,0|2,0,1]=4 3464 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [0,1,0,0,0,0|0,0,3]=4 3465 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [0,1,0,0,0,0|0,0,3]=4 3466 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [0,1,0,0,0,0|0,0,3]=4 3467 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [0,1,0,0,0,0|0,0,3]=4 3468 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [0,1,0,0,0,0|0,0,3]=4 3469 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [0,1,0,0,0,0|0,0,3]=4 3470 B12R1.288 C=Cc1ccc(cc1C)NCC 271570a_100011290941_100015183089 [0,1,0,0,0,0|2,0,1]=4 3471 B12R1.288 C=Cc1ccc(cc1C)OCC 271570a_100011290941_100012344538 [0,1,0,0,0,0|2,0,1]=4 3472 B12R1.288 C=Cc1ccc(cc1F)CCC 271570a_100011290941_200010686677 [0,1,0,0,0,0|1,0,1]=3 3473 B12R1.288 C=Cc1ccc(cc1F)CCO 271570a_100011290941_100012921202 [0,1,0,0,0,0|2,0,1]=4 3474 B12R1.288 C=Cc1ccc(cc1F)COC 271570a_100011290941_100010177442 [0,1,0,0,0,0|2,0,1]=4 3475 B12R1.288 C=Cc1ccc(cc1F)OCC 271570a_100011290941_100000692347 [0,1,0,0,0,0|2,0,1]=4 3476 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100000210202_100011935271 [0,1,0,0,0,0|2,0,1]=4 3477 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100011935271_100000210202 [0,1,0,0,0,0|2,0,1]=4 3478 B12R1.288 C=Cc1ccc(cc1N)COC 271570a_100011290941_200013033220 [0,1,0,0,0,0|2,0,1]=4 3479 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [0,1,0,0,0,0|1,0,2]=4 3480 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [0,1,0,0,0,0|1,0,2]=4 3481 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [0,1,0,0,0,0|0,0,2]=3 3482 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [0,1,0,0,0,0|1,0,2]=4 3483 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [0,1,0,0,0,0|0,0,2]=3 3484 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [0,1,0,0,0,0|0,0,2]=3 3485 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [0,1,0,0,0,0|0,1,2]=4 3486 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [0,1,0,0,0,0|1,0,2]=4 3487 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [0,1,0,0,0,0|1,0,2]=4 3488 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [0,1,0,0,0,0|0,0,2]=3 3489 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [0,1,0,0,0,0|0,1,2]=4 3490 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [0,1,0,0,0,0|1,0,2]=4 3491 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [0,1,0,0,0,0|1,0,2]=4 3492 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [0,1,0,0,0,0|0,0,2]=3 3493 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,1,0,0,0,0|0,0,2]=3 3494 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [0,1,0,0,0,0|1,0,2]=4 3495 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [0,1,0,0,0,0|1,0,2]=4 3496 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [0,1,0,0,0,0|1,0,2]=4 3497 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [0,1,0,0,0,0|1,0,2]=4 3498 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [0,1,0,0,0,0|1,0,2]=4 3499 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [0,1,0,0,0,0|1,0,2]=4 3500 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [0,1,0,0,0,0|1,0,2]=4 3501 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [0,1,0,0,0,0|1,0,2]=4 3502 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [0,1,0,0,0,0|1,0,2]=4 3503 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [0,1,0,0,0,0|1,0,2]=4 3504 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200000210301_200010686677 [0,1,0,0,0,0|0,1,0]=2 3505 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200010686677_200000210301 [0,1,0,0,0,0|0,1,0]=2 3506 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200010686677_200025704644 [0,1,0,0,0,0|0,1,0]=2 3507 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010686677 [0,1,0,0,0,0|0,1,0]=2 3508 B12R1.288 CCNc1ccc(c(c1)Br)C#N 27a_100015525214_100012349582 [0,1,0,0,0,0|3,0,0]=4 3509 B12R1.288 CCNc1ccc(c(c1)Br)C#N 34a_100000689153_100000210202 [0,1,0,0,0,0|3,0,0]=4 3510 B12R1.288 CCNc1ccc(c(c1)Br)C#N 7a_100000689153_100000210202 [0,1,0,0,0,0|3,0,0]=4 3511 B12R1.288 CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210202 [0,1,0,0,0,0|1,0,0]=2 3512 B12R1.288 CCNc1ccc(c(c1)C)C#N 34a_100011999795_100000210202 [0,1,0,0,0,0|3,0,0]=4 3513 B12R1.288 CCNc1ccc(c(c1)C)C#N 7a_100011999795_100000210202 [0,1,0,0,0,0|3,0,0]=4 3514 B12R1.288 CCNc1ccc(c(c1)C)CO 34a_100000102464_100000210202 [0,1,0,0,0,0|3,0,0]=4 3515 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [0,1,0,0,0,0|1,0,0]=2 3516 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [0,1,0,0,0,0|1,0,0]=2 3517 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [0,1,0,0,0,0|1,0,0]=2 3518 B12R1.288 CCNc1ccc(c(c1)C)SC 62a_100015183089_200000210301 [0,1,0,0,0,0|1,1,0]=3 3519 B12R1.288 CCNc1ccc(c(c1)C)SC 62a_200000210301_100015183089 [0,1,0,0,0,0|1,1,0]=3 3520 B12R1.288 CCNc1ccc(c(c1)C)S[13CH3] 62a_100015183089_200025704644 [0,1,0,0,0,0|1,1,0]=3 3521 B12R1.288 CCNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100015183089 [0,1,0,0,0,0|1,1,0]=3 3522 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 34a_100000211542_100000210202 [0,1,0,0,0,0|3,0,0]=4 3523 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 7a_100000211542_100000210202 [0,1,0,0,0,0|3,0,0]=4 3524 B12R1.288 CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210202 [0,1,0,0,0,0|2,0,0]=3 3525 B12R1.288 CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100000210202 [0,1,0,0,0,0|2,0,0]=3 3526 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100000210202 [0,1,0,0,0,0|2,0,0]=3 3527 B12R1.288 CCNc1ccc(c(c1)Cl)CO 34a_100000689119_100000210202 [0,1,0,0,0,0|3,0,0]=4 3528 B12R1.288 CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210202 [0,1,0,0,0,0|1,0,0]=2 3529 B12R1.288 CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210202 [0,1,0,0,0,0|1,0,0]=2 3530 B12R1.288 CCNc1ccc(c(c1)F)C#N 27a_100015525214_100000037869 [0,1,0,0,0,0|3,0,0]=4 3531 B12R1.288 CCNc1ccc(c(c1)F)C#N 34a_100000765089_100000210202 [0,1,0,0,0,0|3,0,0]=4 3532 B12R1.288 CCNc1ccc(c(c1)F)C#N 7a_100000765089_100000210202 [0,1,0,0,0,0|3,0,0]=4 3533 B12R1.288 CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210202 [0,1,0,0,0,0|1,0,0]=2 3534 B12R1.288 CCNc1ccc(c(c1)F)OC 34a_100000740183_100000210202 [0,1,0,0,0,0|1,0,0]=2 3535 B12R1.288 CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210202 [0,1,0,0,0,0|1,1,0]=3 3536 B12R1.288 CCNc1ccc(c(c1)F)SC 34a_100000762756_100000210202 [0,1,0,0,0,0|1,1,0]=3 3537 B12R1.288 CCNc1ccc(c(c1)I)OC 34a_100011356947_100000210202 [0,1,0,0,0,0|1,0,0]=2 3538 B12R1.288 CCNc1ccc(c(c1)O)C#N 34a_100000094571_100000210202 [0,1,0,0,0,0|3,0,0]=4 3539 B12R1.288 CCNc1ccc(c(c1)O)C#N 7a_100000094571_100000210202 [0,1,0,0,0,0|3,0,0]=4 3540 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [0,1,0,0,0,0|1,0,0]=2 3541 B12R1.288 CCNc1ccc(c(n1)F)OC 27a_100015525214_100010138636 [0,1,0,0,0,0|2,0,0]=3 3542 B12R1.288 CCNc1ncc(c(n1)C)OC 27a_100015525214_100010382893 [0,1,0,0,0,0|3,0,0]=4 3543 B12R1.288 CCOc1cc(c(cn1)SC)C 62a_200000210301_200012351029 [0,1,0,0,0,0|2,1,0]=4 3544 B12R1.288 CCOc1cc(c(cn1)SC)C 62a_200012351029_200000210301 [0,1,0,0,0,0|2,1,0]=4 3545 B12R1.288 CCOc1cc(c(cn1)S[13CH3])C 62a_200012351029_200025704644 [0,1,0,0,0,0|2,1,0]=4 3546 B12R1.288 CCOc1cc(c(cn1)S[13CH3])C 62a_200025704644_200012351029 [0,1,0,0,0,0|2,1,0]=4 3547 B12R1.288 CCOc1ccc(c(c1)Br)C#N 34a_100012184851_100000210202 [0,1,0,0,0,0|3,0,0]=4 3548 B12R1.288 CCOc1ccc(c(c1)Br)C#N 7a_100012184851_100000210202 [0,1,0,0,0,0|3,0,0]=4 3549 B12R1.288 CCOc1ccc(c(c1)Br)CO 34a_100010146404_100000210202 [0,1,0,0,0,0|3,0,0]=4 3550 B12R1.288 CCOc1ccc(c(c1)Br)CO 7a_100010146404_100000210202 [0,1,0,0,0,0|3,0,0]=4 3551 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [0,1,0,0,0,0|1,0,0]=2 3552 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [0,1,0,0,0,0|1,0,0]=2 3553 B12R1.288 CCOc1ccc(c(c1)C)C#N 34a_100000720286_100000210202 [0,1,0,0,0,0|3,0,0]=4 3554 B12R1.288 CCOc1ccc(c(c1)C)C#N 7a_100000720286_100000210202 [0,1,0,0,0,0|3,0,0]=4 3555 B12R1.288 CCOc1ccc(c(c1)C)NC 2230a_100000742753_200000210301 [0,1,0,0,0,0|2,0,0]=3 3556 B12R1.288 CCOc1ccc(c(c1)C)NC 34a_100000742753_200000210301 [0,1,0,0,0,0|2,0,0]=3 3557 B12R1.288 CCOc1ccc(c(c1)C)NC 34a_100161107805_100000210202 [0,1,0,0,0,0|2,0,0]=3 3558 B12R1.288 CCOc1ccc(c(c1)C)NC 7a_100161107805_100000210202 [0,1,0,0,0,0|2,0,0]=3 3559 B12R1.288 CCOc1ccc(c(c1)C)N[13CH3] 2230a_100000742753_200025704644 [0,1,0,0,0,0|2,0,0]=3 3560 B12R1.288 CCOc1ccc(c(c1)C)N[13CH3] 34a_100000742753_200025704644 [0,1,0,0,0,0|2,0,0]=3 3561 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [0,1,0,0,0,0|1,0,0]=2 3562 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [0,1,0,0,0,0|1,0,0]=2 3563 B12R1.288 CCOc1ccc(c(c1)C)SC 34a_100000030144_100000210202 [0,1,0,0,0,0|1,1,0]=3 3564 B12R1.288 CCOc1ccc(c(c1)C)SC 62a_200000210301_100012344538 [0,1,0,0,0,0|1,1,0]=3 3565 B12R1.288 CCOc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100012344538 [0,1,0,0,0,0|1,1,0]=3 3566 B12R1.288 CCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100000210202 [0,1,0,0,0,0|3,0,0]=4 3567 B12R1.288 CCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100000210202 [0,1,0,0,0,0|3,0,0]=4 3568 B12R1.288 CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100000210202 [0,1,0,0,0,0|2,0,0]=3 3569 B12R1.288 CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100000210202 [0,1,0,0,0,0|2,0,0]=3 3570 B12R1.288 CCOc1ccc(c(c1)Cl)CN 34a_200161156549_100000210202 [0,1,0,0,0,0|3,0,0]=4 3571 B12R1.288 CCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000210202 [0,1,0,0,0,0|3,0,0]=4 3572 B12R1.288 CCOc1ccc(c(c1)Cl)CO 7a_200000075811_100000210202 [0,1,0,0,0,0|3,0,0]=4 3573 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [0,1,0,0,0,0|1,0,0]=2 3574 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [0,1,0,0,0,0|1,0,0]=2 3575 B12R1.288 CCOc1ccc(c(c1)F)C#N 34a_100000753931_100000210202 [0,1,0,0,0,0|3,0,0]=4 3576 B12R1.288 CCOc1ccc(c(c1)F)C#N 7a_100000753931_100000210202 [0,1,0,0,0,0|3,0,0]=4 3577 B12R1.288 CCOc1ccc(c(c1)F)CO 34a_100000084598_100000210202 [0,1,0,0,0,0|3,0,0]=4 3578 B12R1.288 CCOc1ccc(c(c1)F)CO 7a_100000084598_100000210202 [0,1,0,0,0,0|3,0,0]=4 3579 B12R1.288 CCOc1ccc(c(c1)F)NC 2230a_100015186438_200000210301 [0,1,0,0,0,0|2,0,0]=3 3580 B12R1.288 CCOc1ccc(c(c1)F)NC 34a_100015186438_200000210301 [0,1,0,0,0,0|2,0,0]=3 3581 B12R1.288 CCOc1ccc(c(c1)F)N[13CH3] 2230a_100015186438_200025704644 [0,1,0,0,0,0|2,0,0]=3 3582 B12R1.288 CCOc1ccc(c(c1)F)N[13CH3] 34a_100015186438_200025704644 [0,1,0,0,0,0|2,0,0]=3 3583 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [0,1,0,0,0,0|1,0,0]=2 3584 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [0,1,0,0,0,0|1,0,0]=2 3585 B12R1.288 CCOc1ccc(c(c1)F)SC 62a_100000692347_200000210301 [0,1,0,0,0,0|1,1,0]=3 3586 B12R1.288 CCOc1ccc(c(c1)F)SC 62a_200000210301_100000692347 [0,1,0,0,0,0|1,1,0]=3 3587 B12R1.288 CCOc1ccc(c(c1)F)S[13CH3] 62a_100000692347_200025704644 [0,1,0,0,0,0|1,1,0]=3 3588 B12R1.288 CCOc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000692347 [0,1,0,0,0,0|1,1,0]=3 3589 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [0,1,0,0,0,0|1,0,0]=2 3590 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [0,1,0,0,0,0|1,0,0]=2 3591 B12R1.288 CCOc1ccc(c(c1)O)C=O 271570a_203496583355_200012721597 [0,1,0,0,0,0|3,0,0]=4 3592 B12R1.288 CCSc1cc(c(cn1)NC)N 62a_100000210202_200015721873 [0,1,0,0,0,0|3,0,0]=4 3593 B12R1.288 CCSc1cc(c(cn1)NC)N 62a_200015721873_100000210202 [0,1,0,0,0,0|3,0,0]=4 3594 B12R1.288 CCSc1cc(c(cn1)OC)N 62a_100000210202_100010896307 [0,1,0,0,0,0|2,0,0]=3 3595 B12R1.288 CCSc1cc(c(cn1)OC)N 62a_100010896307_100000210202 [0,1,0,0,0,0|2,0,0]=3 3596 B12R1.288 CCSc1cc(c(cn1)OC)O 62a_100000210202_100010264082 [0,1,0,0,0,0|2,0,0]=3 3597 B12R1.288 CCSc1cc(c(nn1)OC)C 62a_100000210202_100010272851 [0,1,0,0,0,0|3,0,0]=4 3598 B12R1.288 CCSc1cc(c(nn1)OC)C 62a_100010272851_100000210202 [0,1,0,0,0,0|3,0,0]=4 3599 B12R1.288 CCSc1cc(c(nn1)OC)N 62a_100000210202_100009869743 [0,1,0,0,0,0|3,0,0]=4 3600 B12R1.288 CCSc1cc(c(nn1)OC)N 62a_100009869743_100000210202 [0,1,0,0,0,0|3,0,0]=4 3601 B12R1.288 CCSc1ccc(c(c1)Br)C#N 62a_100000210202_100012349582 [0,1,0,0,0,0|3,0,0]=4 3602 B12R1.288 CCSc1ccc(c(c1)Br)C#N 62a_100012349582_100000210202 [0,1,0,0,0,0|3,0,0]=4 3603 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100000210202_100010185650 [0,1,0,0,0,0|3,0,0]=4 3604 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210202 [0,1,0,0,0,0|3,0,0]=4 3605 B12R1.288 CCSc1ccc(c(c1)Br)CO 62a_100000210202_100010240206 [0,1,0,0,0,0|3,0,0]=4 3606 B12R1.288 CCSc1ccc(c(c1)Br)CO 62a_100010240206_100000210202 [0,1,0,0,0,0|3,0,0]=4 3607 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100000210202_100011249507 [0,1,0,0,0,0|1,0,0]=2 3608 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210202 [0,1,0,0,0,0|1,0,0]=2 3609 B12R1.288 CCSc1ccc(c(c1)C)C#N 62a_100000210202_100000687762 [0,1,0,0,0,0|3,0,0]=4 3610 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000210202_100000766358 [0,1,0,0,0,0|3,0,0]=4 3611 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210202 [0,1,0,0,0,0|3,0,0]=4 3612 B12R1.288 CCSc1ccc(c(c1)C)CF 62a_100000210202_200010711859 [0,1,0,0,0,0|3,0,0]=4 3613 B12R1.288 CCSc1ccc(c(c1)C)CF 62a_200010711859_100000210202 [0,1,0,0,0,0|3,0,0]=4 3614 B12R1.288 CCSc1ccc(c(c1)C)CN 62a_100000210202_100000753881 [0,1,0,0,0,0|3,0,0]=4 3615 B12R1.288 CCSc1ccc(c(c1)C)CN 62a_100000753881_100000210202 [0,1,0,0,0,0|3,0,0]=4 3616 B12R1.288 CCSc1ccc(c(c1)C)CO 62a_100000210202_100000748258 [0,1,0,0,0,0|3,0,0]=4 3617 B12R1.288 CCSc1ccc(c(c1)C)CO 62a_100000748258_100000210202 [0,1,0,0,0,0|3,0,0]=4 3618 B12R1.288 CCSc1ccc(c(c1)C)NC 62a_100000210202_100000221803 [0,1,0,0,0,0|2,0,0]=3 3619 B12R1.288 CCSc1ccc(c(c1)C)NC 62a_100000221803_100000210202 [0,1,0,0,0,0|2,0,0]=3 3620 B12R1.288 CCSc1ccc(c(c1)C)NN 62a_100000210202_100000751375 [0,1,0,0,0,0|3,0,0]=4 3621 B12R1.288 CCSc1ccc(c(c1)C)NN 62a_100000751375_100000210202 [0,1,0,0,0,0|3,0,0]=4 3622 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [0,1,0,0,0,0|1,0,0]=2 3623 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [0,1,0,0,0,0|1,0,0]=2 3624 B12R1.288 CCSc1ccc(c(c1)Cl)C#N 62a_100000210202_100012349662 [0,1,0,0,0,0|3,0,0]=4 3625 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000210202_100000727542 [0,1,0,0,0,0|3,0,0]=4 3626 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210202 [0,1,0,0,0,0|3,0,0]=4 3627 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100000210202_100012355395 [0,1,0,0,0,0|1,0,0]=2 3628 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210202 [0,1,0,0,0,0|1,0,0]=2 3629 B12R1.288 CCSc1ccc(c(c1)Cl)SC 62a_100000210202_206447510565 [0,1,0,0,0,0|1,1,0]=3 3630 B12R1.288 CCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210202 [0,1,0,0,0,0|1,1,0]=3 3631 B12R1.288 CCSc1ccc(c(c1)F)C#N 62a_100000210202_100000037869 [0,1,0,0,0,0|3,0,0]=4 3632 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000210202_100000211676 [0,1,0,0,0,0|3,0,0]=4 3633 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210202 [0,1,0,0,0,0|3,0,0]=4 3634 B12R1.288 CCSc1ccc(c(c1)F)CC 62a_100000210202_200010071577 [0,1,0,0,0,0|2,0,0]=3 3635 B12R1.288 CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210202 [0,1,0,0,0,0|2,0,0]=3 3636 B12R1.288 CCSc1ccc(c(c1)F)CN 62a_100000210202_100000754580 [0,1,0,0,0,0|3,0,0]=4 3637 B12R1.288 CCSc1ccc(c(c1)F)CN 62a_100000754580_100000210202 [0,1,0,0,0,0|3,0,0]=4 3638 B12R1.288 CCSc1ccc(c(c1)F)CO 62a_100000210202_100011191541 [0,1,0,0,0,0|3,0,0]=4 3639 B12R1.288 CCSc1ccc(c(c1)F)CO 62a_100011191541_100000210202 [0,1,0,0,0,0|3,0,0]=4 3640 B12R1.288 CCSc1ccc(c(c1)F)NC 62a_100000210202_100000743884 [0,1,0,0,0,0|2,0,0]=3 3641 B12R1.288 CCSc1ccc(c(c1)F)NC 62a_100000743884_100000210202 [0,1,0,0,0,0|2,0,0]=3 3642 B12R1.288 CCSc1ccc(c(c1)F)NN 62a_100000210202_100000751572 [0,1,0,0,0,0|3,0,0]=4 3643 B12R1.288 CCSc1ccc(c(c1)F)NN 62a_100000751572_100000210202 [0,1,0,0,0,0|3,0,0]=4 3644 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210202 [0,1,0,0,0,0|1,0,0]=2 3645 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000210202_100000171752 [0,1,0,0,0,0|1,0,0]=2 3646 B12R1.288 CCSc1ccc(c(c1)F)SC 62a_100000210202_100010161220 [0,1,0,0,0,0|1,1,0]=3 3647 B12R1.288 CCSc1ccc(c(c1)F)SC 62a_100010161220_100000210202 [0,1,0,0,0,0|1,1,0]=3 3648 B12R1.288 CCSc1ccc(c(c1)N)C#N 62a_100000210202_100000699244 [0,1,0,0,0,0|3,0,0]=4 3649 B12R1.288 CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210202 [0,1,0,0,0,0|3,0,0]=4 3650 B12R1.288 CCSc1ccc(c(c1)N)CC 62a_100000210202_100012354963 [0,1,0,0,0,0|2,0,0]=3 3651 B12R1.288 CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210202 [0,1,0,0,0,0|2,0,0]=3 3652 B12R1.288 CCSc1ccc(c(c1)N)CO 62a_100000210202_100000718831 [0,1,0,0,0,0|3,0,0]=4 3653 B12R1.288 CCSc1ccc(c(c1)N)CO 62a_100000718831_100000210202 [0,1,0,0,0,0|3,0,0]=4 3654 B12R1.288 CCSc1ccc(c(c1)N)NC 62a_100000741790_100000210202 [0,1,0,0,0,0|2,0,0]=3 3655 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100000210202_100011249504 [0,1,0,0,0,0|1,0,0]=2 3656 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210202 [0,1,0,0,0,0|1,0,0]=2 3657 B12R1.288 CCSc1ccc(c(c1)O)C#N 62a_100000210202_100011934713 [0,1,0,0,0,0|3,0,0]=4 3658 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100000210202_100011277552 [0,1,0,0,0,0|3,0,0]=4 3659 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210202 [0,1,0,0,0,0|3,0,0]=4 3660 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210202 [0,1,0,0,0,0|3,0,0]=4 3661 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000210202_100000071718 [0,1,0,0,0,0|3,0,0]=4 3662 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [0,1,0,0,0,0|1,0,0]=2 3663 B12R1.288 CCSc1ccc(c(n1)Br)OC 62a_100000210202_100010214827 [0,1,0,0,0,0|2,0,0]=3 3664 B12R1.288 CCSc1ccc(c(n1)Br)OC 62a_100010214827_100000210202 [0,1,0,0,0,0|2,0,0]=3 3665 B12R1.288 CCSc1ccc(c(n1)C)OC 62a_100000210202_100010244750 [0,1,0,0,0,0|2,0,0]=3 3666 B12R1.288 CCSc1ccc(c(n1)C)OC 62a_100010244750_100000210202 [0,1,0,0,0,0|2,0,0]=3 3667 B12R1.288 CCSc1ccc(c(n1)Cl)OC 62a_100000210202_100010233546 [0,1,0,0,0,0|2,0,0]=3 3668 B12R1.288 CCSc1ccc(c(n1)F)OC 62a_100000210202_100010138636 [0,1,0,0,0,0|2,0,0]=3 3669 B12R1.288 CCSc1ccc(c(n1)F)OC 62a_100010138636_100000210202 [0,1,0,0,0,0|2,0,0]=3 3670 B12R1.288 CCSc1ccc(c(n1)N)OC 62a_100010192976_100000210202 [0,1,0,0,0,0|2,0,0]=3 3671 B12R1.288 CCSc1cnc(c(c1)Br)OC 62a_100000210202_200010988584 [0,1,0,0,0,0|2,0,0]=3 3672 B12R1.288 CCSc1cnc(c(c1)Br)OC 62a_200010988584_100000210202 [0,1,0,0,0,0|2,0,0]=3 3673 B12R1.288 CCSc1cnc(c(c1)C)NC 62a_100000210202_100012357622 [0,1,0,0,0,0|3,0,0]=4 3674 B12R1.288 CCSc1cnc(c(c1)C)NC 62a_100012357622_100000210202 [0,1,0,0,0,0|3,0,0]=4 3675 B12R1.288 CCSc1cnc(c(c1)C)OC 62a_100000210202_100011290809 [0,1,0,0,0,0|2,0,0]=3 3676 B12R1.288 CCSc1cnc(c(c1)C)OC 62a_100011290809_100000210202 [0,1,0,0,0,0|2,0,0]=3 3677 B12R1.288 CCSc1cnc(c(c1)F)OC 62a_100000210202_100011880707 [0,1,0,0,0,0|2,0,0]=3 3678 B12R1.288 CCSc1cnc(c(c1)F)OC 62a_100011880707_100000210202 [0,1,0,0,0,0|2,0,0]=3 3679 B12R1.288 CCSc1cnc(c(c1)N)NC 62a_100000210202_100011432983 [0,1,0,0,0,0|3,0,0]=4 3680 B12R1.288 CCSc1cnc(c(c1)N)NC 62a_100011432983_100000210202 [0,1,0,0,0,0|3,0,0]=4 3681 B12R1.288 CCSc1cnc(c(c1)N)OC 62a_100000210202_100000748608 [0,1,0,0,0,0|2,0,0]=3 3682 B12R1.288 CCSc1cnc(c(c1)N)OC 62a_100000748608_100000210202 [0,1,0,0,0,0|2,0,0]=3 3683 B12R1.288 CCSc1cnc(c(c1)O)OC 62a_100000210202_100010135713 [0,1,0,0,0,0|2,0,0]=3 3684 B12R1.288 CCSc1ncc(c(n1)C)OC 62a_100000210202_100010382893 [0,1,0,0,0,0|3,0,0]=4 3685 B12R1.288 CCSc1ncc(c(n1)C)OC 62a_100010382893_100000210202 [0,1,0,0,0,0|3,0,0]=4 3686 B12R1.288 CCSc1ncc(c(n1)N)OC 62a_100000210202_100009886850 [0,1,0,0,0,0|3,0,0]=4 3687 B12R1.288 CCSc1ncc(c(n1)N)OC 62a_100009886850_100000210202 [0,1,0,0,0,0|3,0,0]=4 3688 B12R1.288 CCc1ccc(cc1Cl)CNC 26a_100102657272_100009886192 [0,1,0,0,0,0|2,0,0]=3 3689 B12R1.288 CCc1ccc(cc1Cl)NCF 34a_100000766362_100015361967 [0,1,0,0,0,0|3,0,0]=4 3690 B12R1.288 CCc1ccc(cc1Cl)NCF 7a_100000766362_100015361967 [0,1,0,0,0,0|3,0,0]=4 3691 B12R1.288 CCc1ccc(cc1Cl)OCF 34a_100009886192_100015361967 [0,1,0,0,0,0|3,0,0]=4 3692 B12R1.288 CCc1ccc(cc1Cl)OCF 7a_100009886192_100015361967 [0,1,0,0,0,0|3,0,0]=4 3693 B12R1.288 CCc1ccc(cc1F)SCF 62a_100015361967_200010071577 [0,1,0,0,0,0|3,0,0]=4 3694 B12R1.288 CCc1ccc(cc1F)SCF 62a_200010071577_100015361967 [0,1,0,0,0,0|3,0,0]=4 3695 B12R1.288 CCc1ccc(cc1N)SCF 62a_100012354963_100015361967 [0,1,0,0,0,0|3,0,0]=4 3696 B12R1.288 CCc1ccc(cc1N)SCF 62a_100015361967_100012354963 [0,1,0,0,0,0|3,0,0]=4 3697 B12R1.288 CNCc1cc(=O)c(co1)OC 2230a_106832991635_100000081511 [0,1,0,0,0,0|2,0,0]=3 3698 B12R1.288 CNCc1cc(=O)c(co1)OC 7a_106832991635_100000081511 [0,1,0,0,0,0|2,0,0]=3 3699 B12R1.288 CNCc1cc(c(cn1)OC)Br 207a_100102657272_100010893078 [0,1,0,0,0,0|2,0,0]=3 3700 B12R1.288 CNCc1cc(c(cn1)OC)Br 270004a_106832991635_100010893078 [0,1,0,0,0,0|2,0,0]=3 3701 B12R1.288 CNCc1ccc(c(c1)Br)C#N 2230a_106832991635_100012355662 [0,1,0,0,0,0|3,0,0]=4 3702 B12R1.288 CNCc1ccc(c(c1)Br)C#N 26a_100102657272_100012184851 [0,1,0,0,0,0|3,0,0]=4 3703 B12R1.288 CNCc1ccc(c(c1)Br)C#N 270004a_106832991635_100012355660 [0,1,0,0,0,0|3,0,0]=4 3704 B12R1.288 CNCc1ccc(c(c1)Br)C#N 7a_106832991635_100012355662 [0,1,0,0,0,0|3,0,0]=4 3705 B12R1.288 CNCc1ccc(c(c1)Br)CO 26a_100102657272_100010146404 [0,1,0,0,0,0|3,0,0]=4 3706 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [0,1,0,0,0,0|1,0,0]=2 3707 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [0,1,0,0,0,0|1,0,0]=2 3708 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [0,1,0,0,0,0|1,0,0]=2 3709 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [0,1,0,0,0,0|1,0,0]=2 3710 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [0,1,0,0,0,0|1,0,0]=2 3711 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [0,1,0,0,0,0|1,0,0]=2 3712 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [0,1,0,0,0,0|1,0,0]=2 3713 B12R1.288 CNCc1ccc(c(c1)C)C#N 207a_100102657272_100000720088 [0,1,0,0,0,0|3,0,0]=4 3714 B12R1.288 CNCc1ccc(c(c1)C)C#N 270004a_106832991635_100000720088 [0,1,0,0,0,0|3,0,0]=4 3715 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [0,1,0,0,0,0|1,0,0]=2 3716 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [0,1,0,0,0,0|1,0,0]=2 3717 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [0,1,0,0,0,0|1,0,0]=2 3718 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [0,1,0,0,0,0|1,0,0]=2 3719 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [0,1,0,0,0,0|1,0,0]=2 3720 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [0,1,0,0,0,0|1,0,0]=2 3721 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [0,1,0,0,0,0|1,0,0]=2 3722 B12R1.288 CNCc1ccc(c(c1)Cl)C#N 2230a_106832991635_100010147163 [0,1,0,0,0,0|3,0,0]=4 3723 B12R1.288 CNCc1ccc(c(c1)Cl)C#N 26a_100102657272_100000716493 [0,1,0,0,0,0|3,0,0]=4 3724 B12R1.288 CNCc1ccc(c(c1)Cl)C#N 7a_106832991635_100010147163 [0,1,0,0,0,0|3,0,0]=4 3725 B12R1.288 CNCc1ccc(c(c1)Cl)CO 26a_100102657272_200000075811 [0,1,0,0,0,0|3,0,0]=4 3726 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [0,1,0,0,0,0|1,0,0]=2 3727 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [0,1,0,0,0,0|1,0,0]=2 3728 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [0,1,0,0,0,0|1,0,0]=2 3729 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [0,1,0,0,0,0|1,0,0]=2 3730 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [0,1,0,0,0,0|1,0,0]=2 3731 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [0,1,0,0,0,0|1,0,0]=2 3732 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [0,1,0,0,0,0|1,0,0]=2 3733 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [0,1,0,0,0,0|1,0,0]=2 3734 B12R1.288 CNCc1ccc(c(c1)F)C#N 2230a_100015204769_200000210301 [0,1,0,0,0,0|3,0,0]=4 3735 B12R1.288 CNCc1ccc(c(c1)F)C#N 2230a_106832991635_100011217145 [0,1,0,0,0,0|3,0,0]=4 3736 B12R1.288 CNCc1ccc(c(c1)F)C#N 34a_100015204769_200000210301 [0,1,0,0,0,0|3,0,0]=4 3737 B12R1.288 CNCc1ccc(c(c1)F)C#N 34a_100102657272_100011217145 [0,1,0,0,0,0|3,0,0]=4 3738 B12R1.288 CNCc1ccc(c(c1)F)C#N 7a_106832991635_100011217145 [0,1,0,0,0,0|3,0,0]=4 3739 B12R1.288 CNCc1ccc(c(c1)F)C=O 2230a_106832991635_100010142638 [0,1,0,0,0,0|3,0,0]=4 3740 B12R1.288 CNCc1ccc(c(c1)F)C=O 34a_100102657272_100010142638 [0,1,0,0,0,0|3,0,0]=4 3741 B12R1.288 CNCc1ccc(c(c1)F)C=O 7a_106832991635_100010142638 [0,1,0,0,0,0|3,0,0]=4 3742 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [0,1,0,0,0,0|1,0,0]=2 3743 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [0,1,0,0,0,0|1,0,0]=2 3744 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [0,1,0,0,0,0|1,0,0]=2 3745 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [0,1,0,0,0,0|1,0,0]=2 3746 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [0,1,0,0,0,0|1,0,0]=2 3747 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [0,1,0,0,0,0|1,0,0]=2 3748 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [0,1,0,0,0,0|1,0,0]=2 3749 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [0,1,0,0,0,0|1,0,0]=2 3750 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [0,1,0,0,0,0|1,0,0]=2 3751 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,1,0,0,0,0|1,0,0]=2 3752 B12R1.288 CNCc1ccc(c(n1)Br)OC 207a_100102657272_100010174741 [0,1,0,0,0,0|2,0,0]=3 3753 B12R1.288 CNCc1ccc(c(n1)Br)OC 270004a_106832991635_100010174741 [0,1,0,0,0,0|2,0,0]=3 3754 B12R1.288 CNCc1cnc(c(c1)Br)OC 207a_100102657272_200010064893 [0,1,0,0,0,0|2,0,0]=3 3755 B12R1.288 CNCc1cnc(c(c1)Br)OC 270004a_106832991635_200010064893 [0,1,0,0,0,0|2,0,0]=3 3756 B12R1.288 CNCc1cnc(c(c1)C)OC 207a_100102657272_100012183433 [0,1,0,0,0,0|2,0,0]=3 3757 B12R1.288 CNCc1cnc(c(c1)C)OC 270004a_106832991635_100012183433 [0,1,0,0,0,0|2,0,0]=3 3758 B12R1.288 CNCc1cnc(c(c1)Cl)OC 207a_100102657272_100000081810 [0,1,0,0,0,0|2,0,0]=3 3759 B12R1.288 CNCc1cnc(c(c1)Cl)OC 270004a_106832991635_100000081810 [0,1,0,0,0,0|2,0,0]=3 3760 B12R1.288 CNCc1cnc(c(c1)F)OC 207a_100102657272_100000081167 [0,1,0,0,0,0|2,0,0]=3 3761 B12R1.288 CNCc1cnc(c(c1)F)OC 270004a_106832991635_100000081167 [0,1,0,0,0,0|2,0,0]=3 3762 B12R1.288 CNc1ccc(cc1C)OCF 34a_100161107805_100015361967 [0,1,0,0,0,0|3,0,0]=4 3763 B12R1.288 CNc1ccc(cc1C)OCF 7a_100161107805_100015361967 [0,1,0,0,0,0|3,0,0]=4 3764 B12R1.288 CNc1ccc(cc1C)SCF 62a_100000221803_100015361967 [0,1,0,0,0,0|3,0,0]=4 3765 B12R1.288 CNc1ccc(cc1C)SCF 62a_100015361967_100000221803 [0,1,0,0,0,0|3,0,0]=4 3766 B12R1.288 CNc1ccc(cc1F)SCF 62a_100000743884_100015361967 [0,1,0,0,0,0|3,0,0]=4 3767 B12R1.288 CNc1ccc(cc1F)SCF 62a_100015361967_100000743884 [0,1,0,0,0,0|3,0,0]=4 3768 B12R1.288 CNc1ccc(cc1N)SCF 62a_100000741790_100015361967 [0,1,0,0,0,0|3,0,0]=4 3769 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,1,0,0,0,0|1,0,0]=2 3770 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,1,0,0,0,0|1,0,0]=2 3771 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,1,0,0,0,0|1,0,0]=2 3772 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,1,0,0,0,0|1,0,0]=2 3773 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,1,0,0,0,0|1,0,0]=2 3774 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,1,0,0,0,0|1,0,0]=2 3775 B12R1.288 COCc1ccc(c(c1)Cl)C#N 34a_100009876504_200000210301 [0,1,0,0,0,0|3,0,0]=4 3776 B12R1.288 COCc1ccc(c(c1)Cl)C#N 7a_100009876504_200000210301 [0,1,0,0,0,0|3,0,0]=4 3777 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,1,0,0,0,0|1,0,0]=2 3778 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,1,0,0,0,0|1,0,0]=2 3779 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,1,0,0,0,0|1,0,0]=2 3780 B12R1.288 COCc1ccc(c(c1)F)C#N 34a_100000068502_200000210301 [0,1,0,0,0,0|3,0,0]=4 3781 B12R1.288 COCc1ccc(c(c1)F)C#N 34a_100138415774_100011217145 [0,1,0,0,0,0|3,0,0]=4 3782 B12R1.288 COCc1ccc(c(c1)F)C#N 7a_100000068502_200000210301 [0,1,0,0,0,0|3,0,0]=4 3783 B12R1.288 COCc1ccc(c(c1)F)C=O 34a_100138415774_100010142638 [0,1,0,0,0,0|3,0,0]=4 3784 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,1,0,0,0,0|1,0,0]=2 3785 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,1,0,0,0,0|1,0,0]=2 3786 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,1,0,0,0,0|1,0,0]=2 3787 B12R1.288 COCc1ccc(c(c1)F)SC 62a_100010177442_200000210301 [0,1,0,0,0,0|1,1,0]=3 3788 B12R1.288 COCc1ccc(c(c1)F)SC 62a_200000210301_100010177442 [0,1,0,0,0,0|1,1,0]=3 3789 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_100010177442_200025704644 [0,1,0,0,0,0|1,1,0]=3 3790 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010177442 [0,1,0,0,0,0|1,1,0]=3 3791 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,1,0,0,0,0|1,0,0]=2 3792 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,1,0,0,0,0|1,0,0]=2 3793 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,1,0,0,0,0|1,0,0]=2 3794 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200000210301_200013033220 [0,1,0,0,0,0|1,1,0]=3 3795 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200013033220_200000210301 [0,1,0,0,0,0|1,1,0]=3 3796 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200013033220_200025704644 [0,1,0,0,0,0|1,1,0]=3 3797 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200025704644_200013033220 [0,1,0,0,0,0|1,1,0]=3 3798 B12R1.288 COCc1ccc(c(n1)Br)OC 34a_100010205416_200000210301 [0,1,0,0,0,0|2,0,0]=3 3799 B12R1.288 COCc1ccc(c(n1)Br)OC 7a_100010205416_200000210301 [0,1,0,0,0,0|2,0,0]=3 3800 B12R1.288 COCc1ccc(c(n1)Cl)OC 34a_100009842956_200000210301 [0,1,0,0,0,0|2,0,0]=3 3801 B12R1.288 COCc1ccc(c(n1)Cl)OC 7a_100009842956_200000210301 [0,1,0,0,0,0|2,0,0]=3 3802 B12R1.288 COCc1cnc(c(c1)Cl)OC 34a_200011438738_200000210301 [0,1,0,0,0,0|2,0,0]=3 3803 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [0,1,0,0,0,0|1,0,0]=2 3804 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,1,0,0,0,0|1,0,0]=2 3805 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,1,0,0,0,0|1,0,0]=2 3806 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [0,1,0,0,0,0|1,0,0]=2 3807 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [0,1,0,0,0,0|1,0,0]=2 3808 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [0,1,0,0,0,0|1,0,0]=2 3809 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [0,1,0,0,0,0|1,0,0]=2 3810 B12R1.288 COc1ccc(cc1Br)NCF 34a_100000187427_100015361967 [0,1,0,0,0,0|2,0,0]=3 3811 B12R1.288 COc1ccc(cc1Br)OCF 34a_100010234764_100015361967 [0,1,0,0,0,0|2,0,0]=3 3812 B12R1.288 COc1ccc(cc1Br)OCF 7a_100010234764_100015361967 [0,1,0,0,0,0|2,0,0]=3 3813 B12R1.288 COc1ccc(cc1Br)SCF 62a_100011249507_100015361967 [0,1,0,0,0,0|2,0,0]=3 3814 B12R1.288 COc1ccc(cc1Br)SCF 62a_100015361967_100011249507 [0,1,0,0,0,0|2,0,0]=3 3815 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [0,1,0,0,0,0|1,0,0]=2 3816 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [0,1,0,0,0,0|1,0,0]=2 3817 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,1,0,0,0,0|1,0,0]=2 3818 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,1,0,0,0,0|1,0,0]=2 3819 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [0,1,0,0,0,0|1,0,0]=2 3820 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [0,1,0,0,0,0|1,0,0]=2 3821 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [0,1,0,0,0,0|1,0,0]=2 3822 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [0,1,0,0,0,0|1,0,0]=2 3823 B12R1.288 COc1ccc(cc1C)NCF 34a_100000743268_100015361967 [0,1,0,0,0,0|2,0,0]=3 3824 B12R1.288 COc1ccc(cc1C)NCF 7a_100000743268_100015361967 [0,1,0,0,0,0|2,0,0]=3 3825 B12R1.288 COc1ccc(cc1C)OCF 34a_100000759738_100015361967 [0,1,0,0,0,0|2,0,0]=3 3826 B12R1.288 COc1ccc(cc1C)OCF 7a_100000759738_100015361967 [0,1,0,0,0,0|2,0,0]=3 3827 B12R1.288 COc1ccc(cc1C)SCF 62a_100011219705_100015361967 [0,1,0,0,0,0|2,0,0]=3 3828 B12R1.288 COc1ccc(cc1C)SCF 62a_100015361967_100011219705 [0,1,0,0,0,0|2,0,0]=3 3829 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [0,1,0,0,0,0|1,0,0]=2 3830 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [0,1,0,0,0,0|1,0,0]=2 3831 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,1,0,0,0,0|1,0,0]=2 3832 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,1,0,0,0,0|1,0,0]=2 3833 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [0,1,0,0,0,0|1,0,0]=2 3834 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [0,1,0,0,0,0|1,0,0]=2 3835 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [0,1,0,0,0,0|1,0,0]=2 3836 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [0,1,0,0,0,0|1,0,0]=2 3837 B12R1.288 COc1ccc(cc1Cl)NCF 34a_100000211044_100015361967 [0,1,0,0,0,0|2,0,0]=3 3838 B12R1.288 COc1ccc(cc1Cl)OCF 34a_200009861682_100015361967 [0,1,0,0,0,0|2,0,0]=3 3839 B12R1.288 COc1ccc(cc1Cl)OCF 7a_200009861682_100015361967 [0,1,0,0,0,0|2,0,0]=3 3840 B12R1.288 COc1ccc(cc1Cl)SCF 62a_100012355395_100015361967 [0,1,0,0,0,0|2,0,0]=3 3841 B12R1.288 COc1ccc(cc1Cl)SCF 62a_100015361967_100012355395 [0,1,0,0,0,0|2,0,0]=3 3842 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [0,1,0,0,0,0|1,0,0]=2 3843 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [0,1,0,0,0,0|1,0,0]=2 3844 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,1,0,0,0,0|1,0,0]=2 3845 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,1,0,0,0,0|1,0,0]=2 3846 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [0,1,0,0,0,0|1,0,0]=2 3847 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [0,1,0,0,0,0|1,0,0]=2 3848 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [0,1,0,0,0,0|1,0,0]=2 3849 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [0,1,0,0,0,0|1,0,0]=2 3850 B12R1.288 COc1ccc(cc1F)NCF 34a_100000740183_100015361967 [0,1,0,0,0,0|2,0,0]=3 3851 B12R1.288 COc1ccc(cc1F)OCF 34a_100000746305_100015361967 [0,1,0,0,0,0|2,0,0]=3 3852 B12R1.288 COc1ccc(cc1F)OCF 7a_100000746305_100015361967 [0,1,0,0,0,0|2,0,0]=3 3853 B12R1.288 COc1ccc(cc1F)SCF 62a_100000171752_100015361967 [0,1,0,0,0,0|2,0,0]=3 3854 B12R1.288 COc1ccc(cc1F)SCF 62a_100015361967_100000171752 [0,1,0,0,0,0|2,0,0]=3 3855 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,1,0,0,0,0|1,0,0]=2 3856 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,1,0,0,0,0|1,0,0]=2 3857 B12R1.288 COc1ccc(cc1I)NCF 34a_100011356947_100015361967 [0,1,0,0,0,0|2,0,0]=3 3858 B12R1.288 COc1ccc(cc1I)OCF 34a_100010084122_100015361967 [0,1,0,0,0,0|2,0,0]=3 3859 B12R1.288 COc1ccc(cc1I)OCF 7a_100010084122_100015361967 [0,1,0,0,0,0|2,0,0]=3 3860 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,1,0,0,0,0|1,0,0]=2 3861 B12R1.288 COc1ccc(cc1N)SCF 62a_100011249504_100015361967 [0,1,0,0,0,0|2,0,0]=3 3862 B12R1.288 COc1ccc(cc1N)SCF 62a_100015361967_100011249504 [0,1,0,0,0,0|2,0,0]=3 3863 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [0,1,0,0,0,0|1,0,1]=3 3864 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,1,0,0,0,0|1,0,0]=2 3865 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,1,0,0,0,0|1,0,0]=2 3866 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,1,0,0,0,0|1,0,0]=2 3867 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [0,1,0,0,0,0|2,0,0]=3 3868 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [0,1,0,0,0,0|2,0,0]=3 3869 B12R1.288 COc1ccc(nc1Br)CO[13CH3] 34a_100010205416_200025704644 [0,1,0,0,0,0|2,0,0]=3 3870 B12R1.288 COc1ccc(nc1Br)CO[13CH3] 7a_100010205416_200025704644 [0,1,0,0,0,0|2,0,0]=3 3871 B12R1.288 COc1ccc(nc1Br)SCF 62a_100010214827_100015361967 [0,1,0,0,0,0|3,0,0]=4 3872 B12R1.288 COc1ccc(nc1Br)SCF 62a_100015361967_100010214827 [0,1,0,0,0,0|3,0,0]=4 3873 B12R1.288 COc1ccc(nc1C)SCF 62a_100010244750_100015361967 [0,1,0,0,0,0|3,0,0]=4 3874 B12R1.288 COc1ccc(nc1C)SCF 62a_100015361967_100010244750 [0,1,0,0,0,0|3,0,0]=4 3875 B12R1.288 COc1ccc(nc1Cl)CO[13CH3] 34a_100009842956_200025704644 [0,1,0,0,0,0|2,0,0]=3 3876 B12R1.288 COc1ccc(nc1Cl)CO[13CH3] 7a_100009842956_200025704644 [0,1,0,0,0,0|2,0,0]=3 3877 B12R1.288 COc1ccc(nc1Cl)SCF 62a_100015361967_100010233546 [0,1,0,0,0,0|3,0,0]=4 3878 B12R1.288 COc1ccc(nc1F)SCF 62a_100010138636_100015361967 [0,1,0,0,0,0|3,0,0]=4 3879 B12R1.288 COc1ccc(nc1F)SCF 62a_100015361967_100010138636 [0,1,0,0,0,0|3,0,0]=4 3880 B12R1.288 COc1ccc(nc1N)SCF 62a_100010192976_100015361967 [0,1,0,0,0,0|3,0,0]=4 3881 B12R1.288 COc1cnc(cc1N)SCF 62a_100010896307_100015361967 [0,1,0,0,0,0|3,0,0]=4 3882 B12R1.288 COc1cnc(cc1N)SCF 62a_100015361967_100010896307 [0,1,0,0,0,0|3,0,0]=4 3883 B12R1.288 COc1cnc(cc1O)SCF 62a_100015361967_100010264082 [0,1,0,0,0,0|3,0,0]=4 3884 B12R1.288 COc1coc(cc1=O)CSC 62a_200000210301_100000081511 [0,1,0,0,0,0|2,0,0]=3 3885 B12R1.288 COc1coc(cc1=O)CS[13CH3] 62a_200025704644_100000081511 [0,1,0,0,0,0|2,0,0]=3 3886 B12R1.288 COc1ncc(cc1Br)SCF 62a_100015361967_200010988584 [0,1,0,0,0,0|3,0,0]=4 3887 B12R1.288 COc1ncc(cc1Br)SCF 62a_200010988584_100015361967 [0,1,0,0,0,0|3,0,0]=4 3888 B12R1.288 COc1ncc(cc1C)SCF 62a_100011290809_100015361967 [0,1,0,0,0,0|3,0,0]=4 3889 B12R1.288 COc1ncc(cc1C)SCF 62a_100015361967_100011290809 [0,1,0,0,0,0|3,0,0]=4 3890 B12R1.288 COc1ncc(cc1Cl)CO[13CH3] 34a_200011438738_200025704644 [0,1,0,0,0,0|2,0,0]=3 3891 B12R1.288 COc1ncc(cc1F)SCF 62a_100011880707_100015361967 [0,1,0,0,0,0|3,0,0]=4 3892 B12R1.288 COc1ncc(cc1F)SCF 62a_100015361967_100011880707 [0,1,0,0,0,0|3,0,0]=4 3893 B12R1.288 COc1ncc(cc1N)SCF 62a_100000748608_100015361967 [0,1,0,0,0,0|3,0,0]=4 3894 B12R1.288 COc1ncc(cc1N)SCF 62a_100015361967_100000748608 [0,1,0,0,0,0|3,0,0]=4 3895 B12R1.288 COc1ncc(cc1O)SCF 62a_100015361967_100010135713 [0,1,0,0,0,0|3,0,0]=4 3896 B12R1.288 CSCc1ccc(c(c1)Br)C#N 62a_100012355662_200000210301 [0,1,0,0,0,0|3,0,0]=4 3897 B12R1.288 CSCc1ccc(c(c1)Br)C#N 62a_200000210301_100012355662 [0,1,0,0,0,0|3,0,0]=4 3898 B12R1.288 CSCc1ccc(c(c1)Cl)C#N 62a_200000210301_100010147163 [0,1,0,0,0,0|3,0,0]=4 3899 B12R1.288 CSCc1ccc(c(c1)F)C#N 62a_200000210301_100011217145 [0,1,0,0,0,0|3,0,0]=4 3900 B12R1.288 CSCc1ccc(c(c1)F)C=O 62a_100010142638_200000210301 [0,1,0,0,0,0|3,0,0]=4 3901 B12R1.288 CSCc1ccc(c(c1)F)C=O 62a_200000210301_100010142638 [0,1,0,0,0,0|3,0,0]=4 3902 B12R1.288 CSc1ccc(cc1C)CC#N 62a_100000726167_200000210301 [0,1,0,0,0,0|1,1,1]=4 3903 B12R1.288 CSc1ccc(cc1C)CC#N 62a_200000210301_100000726167 [0,1,0,0,0,0|1,1,1]=4 3904 B12R1.288 CSc1ccc(cc1C)OCF 34a_100000030144_100015361967 [0,1,0,0,0,0|2,1,0]=4 3905 B12R1.288 CSc1ccc(cc1Cl)SCF 62a_100015361967_206447510565 [0,1,0,0,0,0|2,1,0]=4 3906 B12R1.288 CSc1ccc(cc1Cl)SCF 62a_206447510565_100015361967 [0,1,0,0,0,0|2,1,0]=4 3907 B12R1.288 CSc1ccc(cc1F)CC#N 62a_100000691973_200000210301 [0,1,0,0,0,0|1,1,1]=4 3908 B12R1.288 CSc1ccc(cc1F)CC#N 62a_200000210301_100000691973 [0,1,0,0,0,0|1,1,1]=4 3909 B12R1.288 CSc1ccc(cc1F)CCO 62a_100012921202_200000210301 [0,1,0,0,0,0|1,1,0]=3 3910 B12R1.288 CSc1ccc(cc1F)CCO 62a_200000210301_100012921202 [0,1,0,0,0,0|1,1,0]=3 3911 B12R1.288 CSc1ccc(cc1F)NCF 34a_100000762756_100015361967 [0,1,0,0,0,0|2,1,0]=4 3912 B12R1.288 CSc1ccc(cc1F)SCF 62a_100010161220_100015361967 [0,1,0,0,0,0|2,1,0]=4 3913 B12R1.288 CSc1ccc(cc1F)SCF 62a_100015361967_100010161220 [0,1,0,0,0,0|2,1,0]=4 3914 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_100000726167_200025704644 [0,1,0,0,0,0|1,1,1]=4 3915 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100000726167 [0,1,0,0,0,0|1,1,1]=4 3916 B12R1.288 [13CH3]NCc1ccc(c(c1)F)C#N 2230a_100015204769_200025704644 [0,1,0,0,0,0|3,0,0]=4 3917 B12R1.288 [13CH3]NCc1ccc(c(c1)F)C#N 34a_100015204769_200025704644 [0,1,0,0,0,0|3,0,0]=4 3918 B12R1.288 [13CH3]OCc1ccc(c(c1)Cl)C#N 34a_100009876504_200025704644 [0,1,0,0,0,0|3,0,0]=4 3919 B12R1.288 [13CH3]OCc1ccc(c(c1)Cl)C#N 7a_100009876504_200025704644 [0,1,0,0,0,0|3,0,0]=4 3920 B12R1.288 [13CH3]OCc1ccc(c(c1)F)C#N 34a_100000068502_200025704644 [0,1,0,0,0,0|3,0,0]=4 3921 B12R1.288 [13CH3]OCc1ccc(c(c1)F)C#N 7a_100000068502_200025704644 [0,1,0,0,0,0|3,0,0]=4 3922 B12R1.288 [13CH3]SCc1ccc(c(c1)Br)C#N 62a_100012355662_200025704644 [0,1,0,0,0,0|3,0,0]=4 3923 B12R1.288 [13CH3]SCc1ccc(c(c1)Br)C#N 62a_200025704644_100012355662 [0,1,0,0,0,0|3,0,0]=4 3924 B12R1.288 [13CH3]SCc1ccc(c(c1)Cl)C#N 62a_200025704644_100010147163 [0,1,0,0,0,0|3,0,0]=4 3925 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C#N 62a_200025704644_100011217145 [0,1,0,0,0,0|3,0,0]=4 3926 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C=O 62a_100010142638_200025704644 [0,1,0,0,0,0|3,0,0]=4 3927 B12R1.288 [13CH3]SCc1ccc(c(c1)F)C=O 62a_200025704644_100010142638 [0,1,0,0,0,0|3,0,0]=4 3928 B12R1.288 [13CH3]Sc1ccc(cc1F)CC#N 62a_100000691973_200025704644 [0,1,0,0,0,0|1,1,1]=4 3929 B12R1.288 [13CH3]Sc1ccc(cc1F)CC#N 62a_200025704644_100000691973 [0,1,0,0,0,0|1,1,1]=4 3930 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_100012921202_200025704644 [0,1,0,0,0,0|1,1,0]=3 3931 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_200025704644_100012921202 [0,1,0,0,0,0|1,1,0]=3 3932 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,0,1,0,0,0|2,0,1]=4 3933 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,0,1,0,0,0|3,0,0]=4 3934 B12R2.9 C=Cc1ccc(cc1)C2CC2 271570a_100011290941_100009820665 [0,0,0,1,0,0|1,0,1]=3 3935 B12R2.9 C=Cc1ccc(cn1)C2CC2 271570a_100011290941_200000118129 [0,0,0,1,0,0|2,0,1]=4 3936 B12R2.9 C=Cc1ccc(nc1)C2CC2 271570a_100011290941_100009850895 [0,0,0,1,0,0|2,0,1]=4 3937 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [0,0,0,1,0,0|1,0,0]=2 3938 B12R2.9 CCc1ccc(cn1)C2CC2 271570a_100011220607_100009820025 [0,0,0,1,0,0|2,0,0]=3 3939 B12R2.9 CCc1ccc(nc1)C2CC2 271570a_100011220607_100009843584 [0,0,0,1,0,0|2,0,0]=3 3940 B12R2.9 CCc1cnc(nc1)C2CC2 271570a_100011220607_100000033099 [0,0,0,1,0,0|3,0,0]=4 3941 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [0,0,0,1,0,0|1,0,0]=2 3942 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [0,0,0,1,0,0|1,0,0]=2 3943 B12R2.9 CNc1ccc(cn1)C2CC2 271570a_100011220607_100000741341 [0,0,0,1,0,0|2,0,0]=3 3944 B12R2.9 CNc1ccc(nc1)C2CC2 271570a_100011220607_100000764248 [0,0,0,1,0,0|2,0,0]=3 3945 B12R2.9 CNc1ccc(nn1)C2CC2 271570a_100011220607_100000215272 [0,0,0,1,0,0|3,0,0]=4 3946 B12R2.9 CNc1cnc(cn1)C2CC2 271570a_100011220607_100012000640 [0,0,0,1,0,0|3,0,0]=4 3947 B12R2.9 CNc1cnc(cn1)C2CC2 27a_100102657272_100012002519 [0,0,0,1,0,0|3,0,0]=4 3948 B12R2.9 CNc1cnc(nc1)C2CC2 27a_100102657272_100009840968 [0,0,0,1,0,0|3,0,0]=4 3949 B12R2.9 CNc1ncc(cn1)C2CC2 271570a_100011220607_100000697329 [0,0,0,1,0,0|3,0,0]=4 3950 B12R2.9 CNc1ncc(cn1)C2CC2 27a_100102657272_100009869053 [0,0,0,1,0,0|3,0,0]=4 3951 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,0,0,1,0,0|0,0,0]=1 3952 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,0,0,1,0,0|0,0,0]=1 3953 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,0,0,1,0,0|0,0,0]=1 3954 B12R2.9 COc1ccc(cn1)C2CC2 271570a_100011220607_100000047065 [0,0,0,1,0,0|1,0,0]=2 3955 B12R2.9 COc1ccc(nc1)C2CC2 271570a_100011220607_100000755202 [0,0,0,1,0,0|1,0,0]=2 3956 B12R2.9 COc1ccc(nn1)C2CC2 271570a_100011220607_100009819040 [0,0,0,1,0,0|2,0,0]=3 3957 B12R2.9 COc1cnc(cn1)C2CC2 271570a_100011220607_100011998698 [0,0,0,1,0,0|2,0,0]=3 3958 B12R2.9 COc1cnc(nc1)C2CC2 271570a_100011220607_100000069167 [0,0,0,1,0,0|2,0,0]=3 3959 B12R2.9 COc1ncc(cn1)C2CC2 271570a_100011220607_100000686852 [0,0,0,1,0,0|2,0,0]=3 3960 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [0,0,0,1,0,0|0,1,0]=2 3961 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [0,0,0,1,0,0|0,1,0]=2 3962 B12R2.9 CSc1ccc(cn1)C2CC2 271570a_100011220607_100011408404 [0,0,0,1,0,0|1,1,0]=3 3963 B12R2.9 CSc1ccc(cn1)C2CC2 62a_200000210301_200000118129 [0,0,0,1,0,0|1,1,0]=3 3964 B12R2.9 CSc1ccc(nc1)C2CC2 271570a_100011220607_100009820866 [0,0,0,1,0,0|1,1,0]=3 3965 B12R2.9 CSc1ccc(nc1)C2CC2 62a_100009850895_200000210301 [0,0,0,1,0,0|1,1,0]=3 3966 B12R2.9 CSc1ccc(nc1)C2CC2 62a_200000210301_100009850895 [0,0,0,1,0,0|1,1,0]=3 3967 B12R2.9 CSc1ccc(nn1)C2CC2 62a_100000754422_200000210301 [0,0,0,1,0,0|2,1,0]=4 3968 B12R2.9 CSc1ccc(nn1)C2CC2 62a_200000210301_100000754422 [0,0,0,1,0,0|2,1,0]=4 3969 B12R2.9 CSc1cnc(cn1)C2CC2 271570a_100011220607_200012356277 [0,0,0,1,0,0|2,1,0]=4 3970 B12R2.9 CSc1cnc(cn1)C2CC2 62a_100012002519_200000210301 [0,0,0,1,0,0|2,1,0]=4 3971 B12R2.9 CSc1cnc(cn1)C2CC2 62a_200000210301_100012002519 [0,0,0,1,0,0|2,1,0]=4 3972 B12R2.9 CSc1cnc(nc1)C2CC2 271570a_100011220607_100000718988 [0,0,0,1,0,0|2,1,0]=4 3973 B12R2.9 CSc1cnc(nc1)C2CC2 62a_100009840968_200000210301 [0,0,0,1,0,0|2,1,0]=4 3974 B12R2.9 CSc1cnc(nc1)C2CC2 62a_200000210301_100009840968 [0,0,0,1,0,0|2,1,0]=4 3975 B12R2.9 CSc1ncc(cn1)C2CC2 271570a_100011220607_100000722549 [0,0,0,1,0,0|2,1,0]=4 3976 B12R2.9 CSc1ncc(cn1)C2CC2 62a_100009869053_200000210301 [0,0,0,1,0,0|2,1,0]=4 3977 B12R2.9 CSc1ncc(cn1)C2CC2 62a_200000210301_100009869053 [0,0,0,1,0,0|2,1,0]=4 3978 B12R2.9 FCc1ccc(cc1)C2CC2 271570a_100011220607_100010268989 [0,0,0,1,0,0|2,0,0]=3 3979 B12R2.9 N#Cc1ccc(cc1)C2CC2 271570a_100011220607_100000179745 [0,0,0,1,0,0|2,0,0]=3 3980 B12R2.9 N#Cc1ccc(cn1)C2CC2 271570a_100011220607_100000760455 [0,0,0,1,0,0|3,0,0]=4 3981 B12R2.9 N#Cc1ccc(nc1)C2CC2 271570a_100011220607_100000241038 [0,0,0,1,0,0|3,0,0]=4 3982 B12R2.9 NCc1ccc(cc1)C2CC2 271570a_100011220607_100016989417 [0,0,0,1,0,0|2,0,0]=3 3983 B12R2.9 NCc1ccc(cn1)C2CC2 271570a_100011220607_100015188789 [0,0,0,1,0,0|3,0,0]=4 3984 B12R2.9 NCc1ccc(nc1)C2CC2 271570a_100011220607_100009817727 [0,0,0,1,0,0|3,0,0]=4 3985 B12R2.9 NNc1ccc(cc1)C2CC2 271570a_100011220607_100016988836 [0,0,0,1,0,0|2,0,0]=3 3986 B12R2.9 NNc1ccc(cn1)C2CC2 271570a_100011220607_100000750576 [0,0,0,1,0,0|3,0,0]=4 3987 B12R2.9 NNc1ccc(nc1)C2CC2 271570a_100011220607_100000119030 [0,0,0,1,0,0|3,0,0]=4 3988 B12R2.9 O=Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186029 [0,0,0,1,0,0|2,0,0]=3 3989 B12R2.9 O=Cc1ccc(cn1)C2CC2 271570a_100011220607_100000754260 [0,0,0,1,0,0|3,0,0]=4 3990 B12R2.9 O=Cc1ccc(nc1)C2CC2 271570a_100011220607_100000766901 [0,0,0,1,0,0|3,0,0]=4 3991 B12R2.9 OCc1ccc(cc1)C2CC2 271570a_100011220607_100000690907 [0,0,0,1,0,0|2,0,0]=3 3992 B12R2.9 OCc1ccc(cn1)C2CC2 271570a_100011220607_100000754261 [0,0,0,1,0,0|3,0,0]=4 3993 B12R2.9 OCc1ccc(nc1)C2CC2 271570a_100011220607_100009816760 [0,0,0,1,0,0|3,0,0]=4 3994 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [0,0,0,1,0,0|1,0,0]=2 3995 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,0,0,1,0,0|0,0,0]=1 3996 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,0,0,1,0,0|0,0,0]=1 3997 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [0,0,0,1,0,0|0,1,0]=2 3998 B12R2.9 [13CH3]Sc1ccc(cn1)C2CC2 62a_200025704644_200000118129 [0,0,0,1,0,0|1,1,0]=3 3999 B12R2.9 [13CH3]Sc1ccc(nc1)C2CC2 62a_100009850895_200025704644 [0,0,0,1,0,0|1,1,0]=3 4000 B12R2.9 [13CH3]Sc1ccc(nc1)C2CC2 62a_200025704644_100009850895 [0,0,0,1,0,0|1,1,0]=3 4001 B12R2.9 [13CH3]Sc1ccc(nn1)C2CC2 62a_100000754422_200025704644 [0,0,0,1,0,0|2,1,0]=4 4002 B12R2.9 [13CH3]Sc1ccc(nn1)C2CC2 62a_200025704644_100000754422 [0,0,0,1,0,0|2,1,0]=4 4003 B12R2.9 [13CH3]Sc1cnc(cn1)C2CC2 62a_100012002519_200025704644 [0,0,0,1,0,0|2,1,0]=4 4004 B12R2.9 [13CH3]Sc1cnc(cn1)C2CC2 62a_200025704644_100012002519 [0,0,0,1,0,0|2,1,0]=4 4005 B12R2.9 [13CH3]Sc1cnc(nc1)C2CC2 62a_100009840968_200025704644 [0,0,0,1,0,0|2,1,0]=4 4006 B12R2.9 [13CH3]Sc1cnc(nc1)C2CC2 62a_200025704644_100009840968 [0,0,0,1,0,0|2,1,0]=4 4007 B12R2.9 [13CH3]Sc1ncc(cn1)C2CC2 62a_100009869053_200025704644 [0,0,0,1,0,0|2,1,0]=4 4008 B12R2.9 [13CH3]Sc1ncc(cn1)C2CC2 62a_200025704644_100009869053 [0,0,0,1,0,0|2,1,0]=4 4009 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [0,0,0,1,0,0|1,0,1]=3 4010 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [0,0,0,1,0,0|2,0,1]=4 4011 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [0,0,0,1,0,0|2,0,1]=4 4012 B12R2.44 C=Cc1ccc2c(c1)CNC2 271570a_100011290941_100000702344 [0,0,0,1,0,0|2,0,1]=4 4013 B12R2.44 C=Cc1ccc2c(c1)COC2 271570a_100011290941_100000698232 [0,0,0,1,0,0|2,0,1]=4 4014 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [0,0,0,1,0,0|2,0,1]=4 4015 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,0,0,1,0,0|2,0,1]=4 4016 B12R2.44 C=Cc1ccc2c(n1)CCC2 271570a_100011290941_100000046531 [0,0,0,1,0,0|2,0,1]=4 4017 B12R2.44 C=Cc1cnc2c(c1)CCC2 271570a_100011290941_100000693888 [0,0,0,1,0,0|2,0,1]=4 4018 B12R2.44 CNc1ccc2c(c1)CCC2 2230a_100000211504_200000210301 [0,0,0,1,0,0|1,0,0]=2 4019 B12R2.44 CNc1ccc2c(c1)CCC2 34a_100000211504_200000210301 [0,0,0,1,0,0|1,0,0]=2 4020 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,0,0,1,0,0|2,0,0]=3 4021 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,0,0,1,0,0|2,0,0]=3 4022 B12R2.44 CNc1ccc2c(c1)COC2 2230a_100011728444_200000210301 [0,0,0,1,0,0|2,0,0]=3 4023 B12R2.44 CNc1ccc2c(c1)COC2 34a_100011728444_200000210301 [0,0,0,1,0,0|2,0,0]=3 4024 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,0,0,1,0,0|3,0,0]=4 4025 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,0,0,1,0,0|3,0,0]=4 4026 B12R2.44 CNc1ncc2c(n1)CCC2 27a_100102657272_100009881048 [0,0,0,1,0,0|3,0,0]=4 4027 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,0,0,1,0,0|1,0,2]=4 4028 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,0,0,1,0,0|0,0,0]=1 4029 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,0,0,1,0,0|0,0,0]=1 4030 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,0,0,1,0,0|1,0,0]=2 4031 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,0,0,1,0,0|1,0,0]=2 4032 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,0,0,1,0,0|1,0,0]=2 4033 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,1,0,0|2,0,0]=3 4034 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,0,0,1,0,0|1,0,2]=4 4035 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,0,0,1,0,0|1,0,2]=4 4036 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,0,0,1,0,0|1,0,2]=4 4037 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,0,0,1,0,0|2,0,1]=4 4038 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,0,0,1,0,0|2,0,1]=4 4039 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,0,0,1,0,0|2,0,1]=4 4040 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,0,0,1,0,0|2,0,1]=4 4041 B12R2.44 COc1ccc2nonc2c1 34a_100000036933_200000210301 [0,0,0,1,0,0|3,0,0]=4 4042 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,0,0,1,0,0|1,0,2]=4 4043 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,0,0,1,0,0|1,0,2]=4 4044 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,0,0,1,0,0|1,0,2]=4 4045 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,0,0,1,0,0|1,0,2]=4 4046 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,0,0,1,0,0|2,0,1]=4 4047 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,0,0,1,0,0|2,0,1]=4 4048 B12R2.44 CSc1cc2c(cn1)CCN2 62a_100020639910_200000210301 [0,0,0,1,0,0|2,1,0]=4 4049 B12R2.44 CSc1cc2c(cn1)CCN2 62a_200000210301_100020639910 [0,0,0,1,0,0|2,1,0]=4 4050 B12R2.44 CSc1cc2c(cn1)CNC2 62a_100020645637_200000210301 [0,0,0,1,0,0|2,1,0]=4 4051 B12R2.44 CSc1cc2c(cn1)CNC2 62a_200000210301_100020645637 [0,0,0,1,0,0|2,1,0]=4 4052 B12R2.44 CSc1cc2c(cn1)NCC2 62a_100009884275_200000210301 [0,0,0,1,0,0|2,1,0]=4 4053 B12R2.44 CSc1cc2c(cn1)NCC2 62a_200000210301_100009884275 [0,0,0,1,0,0|2,1,0]=4 4054 B12R2.44 CSc1cc2c(cn1)OCC2 62a_102495363667_200000210301 [0,0,0,1,0,0|2,1,0]=4 4055 B12R2.44 CSc1cc2c(cn1)OCC2 62a_200000210301_102495363667 [0,0,0,1,0,0|2,1,0]=4 4056 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,0,0,1,0,0|0,1,2]=4 4057 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,0,0,1,0,0|0,1,2]=4 4058 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [0,0,0,1,0,0|0,1,2]=4 4059 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [0,0,0,1,0,0|0,1,2]=4 4060 B12R2.44 CSc1ccc2c(c1)CCC2 62a_100000745594_200000210301 [0,0,0,1,0,0|0,1,0]=2 4061 B12R2.44 CSc1ccc2c(c1)CCC2 62a_200000210301_100000745594 [0,0,0,1,0,0|0,1,0]=2 4062 B12R2.44 CSc1ccc2c(c1)CCN2 62a_100000691068_200000210301 [0,0,0,1,0,0|1,1,0]=3 4063 B12R2.44 CSc1ccc2c(c1)CCN2 62a_200000210301_100000691068 [0,0,0,1,0,0|1,1,0]=3 4064 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,0,0,1,0,0|1,1,0]=3 4065 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,0,0,1,0,0|1,1,0]=3 4066 B12R2.44 CSc1ccc2c(c1)CNC2 62a_100000702344_200000210301 [0,0,0,1,0,0|1,1,0]=3 4067 B12R2.44 CSc1ccc2c(c1)CNC2 62a_200000210301_100000702344 [0,0,0,1,0,0|1,1,0]=3 4068 B12R2.44 CSc1ccc2c(c1)COC2 62a_100000698232_200000210301 [0,0,0,1,0,0|1,1,0]=3 4069 B12R2.44 CSc1ccc2c(c1)COC2 62a_200000210301_100000698232 [0,0,0,1,0,0|1,1,0]=3 4070 B12R2.44 CSc1ccc2c(c1)NCC2 62a_100000754641_200000210301 [0,0,0,1,0,0|1,1,0]=3 4071 B12R2.44 CSc1ccc2c(c1)NCC2 62a_200000210301_100000754641 [0,0,0,1,0,0|1,1,0]=3 4072 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,1,0,0|1,1,0]=3 4073 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,1,0,0|1,1,0]=3 4074 B12R2.44 CSc1ccc2c(n1)CCC2 62a_100000046531_200000210301 [0,0,0,1,0,0|1,1,0]=3 4075 B12R2.44 CSc1ccc2c(n1)CCC2 62a_200000210301_100000046531 [0,0,0,1,0,0|1,1,0]=3 4076 B12R2.44 CSc1ccc2c(n1)CCN2 62a_100009872833_200000210301 [0,0,0,1,0,0|2,1,0]=4 4077 B12R2.44 CSc1ccc2c(n1)CCN2 62a_200000210301_100009872833 [0,0,0,1,0,0|2,1,0]=4 4078 B12R2.44 CSc1ccc2c(n1)CNC2 62a_100016995040_200000210301 [0,0,0,1,0,0|2,1,0]=4 4079 B12R2.44 CSc1ccc2c(n1)CNC2 62a_200000210301_100016995040 [0,0,0,1,0,0|2,1,0]=4 4080 B12R2.44 CSc1cnc2c(c1)CCC2 62a_100000693888_200000210301 [0,0,0,1,0,0|1,1,0]=3 4081 B12R2.44 CSc1cnc2c(c1)CCC2 62a_200000210301_100000693888 [0,0,0,1,0,0|1,1,0]=3 4082 B12R2.44 CSc1cnc2c(c1)CCN2 62a_100009817725_200000210301 [0,0,0,1,0,0|2,1,0]=4 4083 B12R2.44 CSc1cnc2c(c1)CCN2 62a_200000210301_100009817725 [0,0,0,1,0,0|2,1,0]=4 4084 B12R2.44 CSc1cnc2c(c1)NCC2 62a_100000698607_200000210301 [0,0,0,1,0,0|2,1,0]=4 4085 B12R2.44 CSc1cnc2c(c1)NCC2 62a_200000210301_100000698607 [0,0,0,1,0,0|2,1,0]=4 4086 B12R2.44 CSc1ncc2c(n1)CCC2 62a_100009881048_200000210301 [0,0,0,1,0,0|2,1,0]=4 4087 B12R2.44 CSc1ncc2c(n1)CCC2 62a_200000210301_100009881048 [0,0,0,1,0,0|2,1,0]=4 4088 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 2230a_100000211504_200025704644 [0,0,0,1,0,0|1,0,0]=2 4089 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 34a_100000211504_200025704644 [0,0,0,1,0,0|1,0,0]=2 4090 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,0,0,1,0,0|2,0,0]=3 4091 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,0,0,1,0,0|2,0,0]=3 4092 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 2230a_100011728444_200025704644 [0,0,0,1,0,0|2,0,0]=3 4093 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 34a_100011728444_200025704644 [0,0,0,1,0,0|2,0,0]=3 4094 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,0,0,1,0,0|3,0,0]=4 4095 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,0,0,1,0,0|3,0,0]=4 4096 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,0,0,1,0,0|1,0,2]=4 4097 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,0,0,1,0,0|0,0,0]=1 4098 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,0,0,1,0,0|0,0,0]=1 4099 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,0,0,1,0,0|1,0,0]=2 4100 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,0,0,1,0,0|1,0,0]=2 4101 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,0,0,1,0,0|1,0,0]=2 4102 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,1,0,0|2,0,0]=3 4103 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,0,0,1,0,0|1,0,2]=4 4104 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,0,0,1,0,0|1,0,2]=4 4105 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,0,0,1,0,0|1,0,2]=4 4106 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,0,0,1,0,0|2,0,1]=4 4107 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,0,0,1,0,0|2,0,1]=4 4108 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,0,0,1,0,0|2,0,1]=4 4109 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,0,0,1,0,0|2,0,1]=4 4110 B12R2.44 [13CH3]Oc1ccc2nonc2c1 34a_100000036933_200025704644 [0,0,0,1,0,0|3,0,0]=4 4111 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,0,0,1,0,0|1,0,2]=4 4112 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,0,0,1,0,0|1,0,2]=4 4113 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,0,0,1,0,0|1,0,2]=4 4114 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,0,0,1,0,0|1,0,2]=4 4115 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,0,0,1,0,0|2,0,1]=4 4116 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,0,0,1,0,0|2,0,1]=4 4117 B12R2.44 [13CH3]Sc1cc2c(cn1)CCN2 62a_100020639910_200025704644 [0,0,0,1,0,0|2,1,0]=4 4118 B12R2.44 [13CH3]Sc1cc2c(cn1)CCN2 62a_200025704644_100020639910 [0,0,0,1,0,0|2,1,0]=4 4119 B12R2.44 [13CH3]Sc1cc2c(cn1)CNC2 62a_100020645637_200025704644 [0,0,0,1,0,0|2,1,0]=4 4120 B12R2.44 [13CH3]Sc1cc2c(cn1)CNC2 62a_200025704644_100020645637 [0,0,0,1,0,0|2,1,0]=4 4121 B12R2.44 [13CH3]Sc1cc2c(cn1)NCC2 62a_100009884275_200025704644 [0,0,0,1,0,0|2,1,0]=4 4122 B12R2.44 [13CH3]Sc1cc2c(cn1)NCC2 62a_200025704644_100009884275 [0,0,0,1,0,0|2,1,0]=4 4123 B12R2.44 [13CH3]Sc1cc2c(cn1)OCC2 62a_102495363667_200025704644 [0,0,0,1,0,0|2,1,0]=4 4124 B12R2.44 [13CH3]Sc1cc2c(cn1)OCC2 62a_200025704644_102495363667 [0,0,0,1,0,0|2,1,0]=4 4125 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,0,0,1,0,0|0,1,2]=4 4126 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,0,0,1,0,0|0,1,2]=4 4127 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [0,0,0,1,0,0|0,1,2]=4 4128 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [0,0,0,1,0,0|0,1,2]=4 4129 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_100000745594_200025704644 [0,0,0,1,0,0|0,1,0]=2 4130 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_200025704644_100000745594 [0,0,0,1,0,0|0,1,0]=2 4131 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_100000691068_200025704644 [0,0,0,1,0,0|1,1,0]=3 4132 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_200025704644_100000691068 [0,0,0,1,0,0|1,1,0]=3 4133 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,0,0,1,0,0|1,1,0]=3 4134 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,0,0,1,0,0|1,1,0]=3 4135 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_100000702344_200025704644 [0,0,0,1,0,0|1,1,0]=3 4136 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_200025704644_100000702344 [0,0,0,1,0,0|1,1,0]=3 4137 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_100000698232_200025704644 [0,0,0,1,0,0|1,1,0]=3 4138 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_200025704644_100000698232 [0,0,0,1,0,0|1,1,0]=3 4139 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_100000754641_200025704644 [0,0,0,1,0,0|1,1,0]=3 4140 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_200025704644_100000754641 [0,0,0,1,0,0|1,1,0]=3 4141 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,1,0,0|1,1,0]=3 4142 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,1,0,0|1,1,0]=3 4143 B12R2.44 [13CH3]Sc1ccc2c(n1)CCC2 62a_100000046531_200025704644 [0,0,0,1,0,0|1,1,0]=3 4144 B12R2.44 [13CH3]Sc1ccc2c(n1)CCC2 62a_200025704644_100000046531 [0,0,0,1,0,0|1,1,0]=3 4145 B12R2.44 [13CH3]Sc1ccc2c(n1)CCN2 62a_100009872833_200025704644 [0,0,0,1,0,0|2,1,0]=4 4146 B12R2.44 [13CH3]Sc1ccc2c(n1)CCN2 62a_200025704644_100009872833 [0,0,0,1,0,0|2,1,0]=4 4147 B12R2.44 [13CH3]Sc1ccc2c(n1)CNC2 62a_100016995040_200025704644 [0,0,0,1,0,0|2,1,0]=4 4148 B12R2.44 [13CH3]Sc1ccc2c(n1)CNC2 62a_200025704644_100016995040 [0,0,0,1,0,0|2,1,0]=4 4149 B12R2.44 [13CH3]Sc1cnc2c(c1)CCC2 62a_100000693888_200025704644 [0,0,0,1,0,0|1,1,0]=3 4150 B12R2.44 [13CH3]Sc1cnc2c(c1)CCC2 62a_200025704644_100000693888 [0,0,0,1,0,0|1,1,0]=3 4151 B12R2.44 [13CH3]Sc1cnc2c(c1)CCN2 62a_100009817725_200025704644 [0,0,0,1,0,0|2,1,0]=4 4152 B12R2.44 [13CH3]Sc1cnc2c(c1)CCN2 62a_200025704644_100009817725 [0,0,0,1,0,0|2,1,0]=4 4153 B12R2.44 [13CH3]Sc1cnc2c(c1)NCC2 62a_100000698607_200025704644 [0,0,0,1,0,0|2,1,0]=4 4154 B12R2.44 [13CH3]Sc1cnc2c(c1)NCC2 62a_200025704644_100000698607 [0,0,0,1,0,0|2,1,0]=4 4155 B12R2.44 [13CH3]Sc1ncc2c(n1)CCC2 62a_100009881048_200025704644 [0,0,0,1,0,0|2,1,0]=4 4156 B12R2.44 [13CH3]Sc1ncc2c(n1)CCC2 62a_200025704644_100009881048 [0,0,0,1,0,0|2,1,0]=4 4157 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,0,0,1,0,0|1,0,2]=4 4158 B12R2.143 CCSc1ccc2c(c1)CC2 62a_100000210202_100009818592 [0,0,0,1,0,0|2,0,0]=3 4159 B12R2.143 CCSc1ccc2c(c1)CC2 62a_100009818592_100000210202 [0,0,0,1,0,0|2,0,0]=3 4160 B12R2.143 CNCc1ccc2c(c1)CC2 207a_100102657272_100010273998 [0,0,0,1,0,0|2,0,0]=3 4161 B12R2.143 CNCc1ccc2c(c1)CC2 270004a_106832991635_100010273998 [0,0,0,1,0,0|2,0,0]=3 4162 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [0,0,0,1,0,0|2,0,0]=3 4163 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [0,0,0,1,0,0|2,0,0]=3 4164 B12R2.143 FCSc1ccc2c(c1)CC2 62a_100009818592_100015361967 [0,0,0,1,0,0|3,0,0]=4 4165 B12R2.143 FCSc1ccc2c(c1)CC2 62a_100015361967_100009818592 [0,0,0,1,0,0|3,0,0]=4 4166 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [0,0,0,1,0,0|2,0,0]=3 4167 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [0,0,0,1,0,0|2,0,0]=3 4168 B10R1.96 C=Cc1ccc(s1)CCC 271570a_100011290941_100010157708 [0,0,0,0,1,0|2,0,1]=4 4169 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,0,0,0,1,0|1,1,0]=3 4170 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,0,0,0,1,0|1,1,0]=3 4171 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,0,0,0,1,0|1,1,0]=3 4172 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,0,0,0,1,0|1,1,0]=3 4173 B10R1.96 CCCc1ncc([nH]1)SC 62a_200000210301_200009820212 [0,0,0,0,1,0|2,1,0]=4 4174 B10R1.96 CCCc1ncc([nH]1)SC 62a_200009820212_200000210301 [0,0,0,0,1,0|2,1,0]=4 4175 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200009820212_200025704644 [0,0,0,0,1,0|2,1,0]=4 4176 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200025704644_200009820212 [0,0,0,0,1,0|2,1,0]=4 4177 B10R1.96 CCCn1cc(cn1)SC 62a_100011400188_200000210301 [0,0,0,0,1,0|2,1,0]=4 4178 B10R1.96 CCCn1cc(cn1)SC 62a_200000210301_100011400188 [0,0,0,0,1,0|2,1,0]=4 4179 B10R1.96 CCCn1cc(cn1)S[13CH3] 62a_100011400188_200025704644 [0,0,0,0,1,0|2,1,0]=4 4180 B10R1.96 CCCn1cc(cn1)S[13CH3] 62a_200025704644_100011400188 [0,0,0,0,1,0|2,1,0]=4 4181 B10R1.96 CCCn1ccc(n1)SC 62a_100012457951_200000210301 [0,0,0,0,1,0|2,1,0]=4 4182 B10R1.96 CCCn1ccc(n1)SC 62a_200000210301_100012457951 [0,0,0,0,1,0|2,1,0]=4 4183 B10R1.96 CCCn1ccc(n1)S[13CH3] 62a_100012457951_200025704644 [0,0,0,0,1,0|2,1,0]=4 4184 B10R1.96 CCCn1ccc(n1)S[13CH3] 62a_200025704644_100012457951 [0,0,0,0,1,0|2,1,0]=4 4185 B10R1.96 CCSc1ccc(s1)CC 62a_100000210202_100009844052 [0,0,0,0,1,0|3,0,0]=4 4186 B10R1.96 CCSc1ccc(s1)CC 62a_100009844052_100000210202 [0,0,0,0,1,0|3,0,0]=4 4187 B10R1.96 CCSc1cnc(s1)OC 62a_100000210202_100000729428 [0,0,0,0,1,0|3,0,0]=4 4188 B10R1.96 CCSc1cnc(s1)OC 62a_100000729428_100000210202 [0,0,0,0,1,0|3,0,0]=4 4189 B10R1.96 CCSc1csc(c1)CC 62a_100000210202_100009846239 [0,0,0,0,1,0|3,0,0]=4 4190 B10R1.96 CCSc1csc(c1)CC 62a_100009846239_100000210202 [0,0,0,0,1,0|3,0,0]=4 4191 B10R1.96 CCSc1csc(c1)SC 62a_100000210202_200010256830 [0,0,0,0,1,0|2,1,0]=4 4192 B10R1.96 CCSc1csc(c1)SC 62a_200010256830_100000210202 [0,0,0,0,1,0|2,1,0]=4 4193 B10R1.96 CCSc1csc(n1)OC 62a_100000210202_100000727839 [0,0,0,0,1,0|3,0,0]=4 4194 B10R1.96 CCSc1csc(n1)OC 62a_100000727839_100000210202 [0,0,0,0,1,0|3,0,0]=4 4195 B10R1.96 CCc1ccc(o1)CNC 207a_100102657272_100000743199 [0,0,0,0,1,0|3,0,0]=4 4196 B10R1.96 CCc1ccc(o1)CNC 270004a_106832991635_100000743199 [0,0,0,0,1,0|3,0,0]=4 4197 B10R1.96 CCc1ccc(s1)CNC 207a_100102657272_100000746206 [0,0,0,0,1,0|3,0,0]=4 4198 B10R1.96 CCc1ccc(s1)CNC 270004a_106832991635_100000746206 [0,0,0,0,1,0|3,0,0]=4 4199 B10R1.96 CNCc1cc(cs1)SC 62a_100000207611_200000210301 [0,0,0,0,1,0|2,1,0]=4 4200 B10R1.96 CNCc1cc(cs1)SC 62a_200000210301_100000207611 [0,0,0,0,1,0|2,1,0]=4 4201 B10R1.96 CNCc1cc(cs1)S[13CH3] 62a_100000207611_200025704644 [0,0,0,0,1,0|2,1,0]=4 4202 B10R1.96 CNCc1cc(cs1)S[13CH3] 62a_200025704644_100000207611 [0,0,0,0,1,0|2,1,0]=4 4203 B10R1.96 CNCc1ccc(o1)SC 62a_200000210301_100000207588 [0,0,0,0,1,0|2,1,0]=4 4204 B10R1.96 CNCc1ccc(o1)S[13CH3] 62a_200025704644_100000207588 [0,0,0,0,1,0|2,1,0]=4 4205 B10R1.96 CNCc1ccc(s1)SC 207a_100102657272_100000720245 [0,0,0,0,1,0|2,1,0]=4 4206 B10R1.96 CNCc1ccc(s1)SC 270004a_106832991635_100000720245 [0,0,0,0,1,0|2,1,0]=4 4207 B10R1.96 COCc1cc(cs1)SC 62a_100011542528_200000210301 [0,0,0,0,1,0|2,1,0]=4 4208 B10R1.96 COCc1cc(cs1)SC 62a_200000210301_100011542528 [0,0,0,0,1,0|2,1,0]=4 4209 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_100011542528_200025704644 [0,0,0,0,1,0|2,1,0]=4 4210 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_200025704644_100011542528 [0,0,0,0,1,0|2,1,0]=4 4211 B10R1.96 CSc1ccc(s1)CCN 62a_100000217605_200000210301 [0,0,0,0,1,0|2,1,0]=4 4212 B10R1.96 CSc1ccc(s1)CCN 62a_200000210301_100000217605 [0,0,0,0,1,0|2,1,0]=4 4213 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_100000217605_200025704644 [0,0,0,0,1,0|2,1,0]=4 4214 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_200025704644_100000217605 [0,0,0,0,1,0|2,1,0]=4 4215 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,0,1,0,0,0|2,0,0]=4 4216 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,0,1,0,0,0|1,0,1]=4 4217 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|0,0,2]=4 4218 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,2]=4 4219 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,0]=2 4220 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,0]=3 4221 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,0]=3 4222 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [2,0,0,0,0,0|2,0,0]=4 4223 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 4224 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 4225 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,0]=3 4226 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 4227 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 4228 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 4229 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 4230 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,0]=3 4231 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 4232 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [2,0,0,0,0,0|2,0,0]=4 4233 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [2,0,0,0,0,0|2,0,0]=4 4234 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,0,0,0,0,0|2,0,0]=4 4235 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 4236 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 4237 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|0,0,0]=2 4238 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|0,0,0]=2 4239 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 4240 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 4241 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|1,0,0]=3 4242 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 4243 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 4244 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 4245 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,0]=3 4246 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|1,0,0]=3 4247 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,0,0,0,0,0|2,0,0]=4 4248 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,0,0,0,0,0|2,0,0]=4 4249 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,0,0,0,0,0|2,0,0]=4 4250 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|2,0,0]=4 4251 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 4252 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 4253 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|1,0,0]=3 4254 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|1,0,0]=3 4255 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 4256 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 4257 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 4258 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 4259 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 4260 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 4261 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 4262 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 4263 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|2,0,0]=4 4264 B9R1.1 COc1cnc(nc1)C 34a_100000062939_200000210301 [2,0,0,0,0,0|2,0,0]=4 4265 B9R1.1 COc1cnc(nc1)C 7a_100000062939_200000210301 [2,0,0,0,0,0|2,0,0]=4 4266 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|1,1,0]=4 4267 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|1,1,0]=4 4268 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|0,1,0]=3 4269 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|0,1,0]=3 4270 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|1,1,0]=4 4271 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|1,1,0]=4 4272 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|1,1,0]=4 4273 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|1,1,0]=4 4274 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 4275 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|1,1,0]=4 4276 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,0]=3 4277 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,0]=3 4278 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [2,0,0,0,0,0|1,1,0]=4 4279 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [2,0,0,0,0,0|1,1,0]=4 4280 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [2,0,0,0,0,0|2,0,0]=4 4281 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 4282 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [2,0,0,0,0,0|2,0,0]=4 4283 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [2,0,0,0,0,0|1,1,0]=4 4284 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [2,0,0,0,0,0|1,1,0]=4 4285 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [2,0,0,0,0,0|2,0,0]=4 4286 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,0]=3 4287 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|0,0,0]=2 4288 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|0,0,0]=2 4289 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|0,1,0]=3 4290 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|0,1,0]=3 4291 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|1,0,0]=3 4292 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|1,0,0]=3 4293 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [2,0,0,0,0,0|1,1,0]=4 4294 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [2,0,0,0,0,0|1,1,0]=4 4295 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|1,0,0]=3 4296 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [2,0,0,0,0,0|1,1,0]=4 4297 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [2,0,0,0,0,0|1,1,0]=4 4298 B9R1.1 Cc1ncc(cn1)O[13CH3] 34a_100000062939_200025704644 [2,0,0,0,0,0|2,0,0]=4 4299 B9R1.1 Cc1ncc(cn1)O[13CH3] 7a_100000062939_200025704644 [2,0,0,0,0,0|2,0,0]=4 4300 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 4301 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,0]=3 4302 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|2,0,0]=4 4303 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|2,0,0]=4 4304 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 4305 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,1]=4 4306 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,0]=3 4307 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|2,0,0]=4 4308 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|2,0,0]=4 4309 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 4310 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 4311 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 4312 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 4313 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 4314 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 4315 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 4316 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 4317 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,0,0,0,0,0|2,0,0]=4 4318 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 4319 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 4320 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 4321 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 4322 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|1,0,0]=3 4323 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 4324 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 4325 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 4326 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,0,0,0,0,0|2,0,0]=4 4327 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,0,0,0,0,0|2,0,0]=4 4328 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,0,0,0,0,0|2,0,0]=4 4329 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 4330 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 4331 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 4332 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 4333 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 4334 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 4335 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 4336 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 4337 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 4338 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 4339 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|1,1,0]=4 4340 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|1,1,0]=4 4341 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|1,1,0]=4 4342 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|1,1,0]=4 4343 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|1,1,0]=4 4344 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|1,1,0]=4 4345 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 4346 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|1,1,0]=4 4347 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,0]=3 4348 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 4349 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [2,0,0,0,0,0|2,0,0]=4 4350 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 4351 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 4352 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 4353 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 4354 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 4355 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 4356 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 4357 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 4358 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 4359 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 4360 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 4361 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 4362 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 4363 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 4364 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 4365 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 4366 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 4367 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 4368 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 4369 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 4370 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 4371 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 4372 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 4373 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 4374 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 4375 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 4376 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 4377 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 4378 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 4379 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 4380 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 4381 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 4382 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 4383 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 4384 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 4385 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 4386 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 4387 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 4388 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 4389 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 4390 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 4391 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 4392 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 4393 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 4394 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 4395 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 4396 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 4397 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 4398 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 4399 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 4400 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 4401 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 4402 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 4403 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 4404 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 4405 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 4406 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 4407 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 4408 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 4409 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 4410 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 4411 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 4412 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 4413 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 4414 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 4415 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,1,1,0,0,0|2,0,0]=4 4416 B11R0.70 CCCNC(=O)C=CC(=O)OC 1626a_100020643023_100016283253 [0,1,1,0,0,0|2,0,0]=4 4417 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [1,1,0,0,0,0|0,0,2]=4 4418 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [1,1,0,0,0,0|0,0,2]=4 4419 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [1,1,0,0,0,0|0,0,2]=4 4420 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [1,1,0,0,0,0|0,0,2]=4 4421 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [1,1,0,0,0,0|0,0,2]=4 4422 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [1,1,0,0,0,0|0,0,2]=4 4423 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,1,0,0,0,0|0,0,2]=4 4424 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,1,0,0,0,0|0,0,2]=4 4425 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,1,0,0,0,0|0,0,2]=4 4426 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,1,0,0,0,0|0,0,2]=4 4427 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,1,0,0,0,0|0,0,2]=4 4428 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,1,0,0,0,0|0,0,2]=4 4429 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,1,0,0,0,0|0,0,2]=4 4430 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,1,0,0,0,0|0,0,2]=4 4431 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [1,1,0,0,0,0|1,0,1]=4 4432 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|1,0,1]=4 4433 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|1,0,1]=4 4434 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 4435 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|0,0,0]=2 4436 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 4437 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 4438 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 4439 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|0,0,0]=2 4440 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|0,0,0]=2 4441 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|2,0,0]=4 4442 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|1,0,0]=3 4443 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|2,0,0]=4 4444 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|2,0,0]=4 4445 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|2,0,0]=4 4446 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|1,0,0]=3 4447 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 4448 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|1,0,0]=3 4449 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 4450 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 4451 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 4452 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [1,1,0,0,0,0|2,0,0]=4 4453 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [1,1,0,0,0,0|2,0,0]=4 4454 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [1,1,0,0,0,0|2,0,0]=4 4455 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [1,1,0,0,0,0|2,0,0]=4 4456 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [1,1,0,0,0,0|2,0,0]=4 4457 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|1,0,0]=3 4458 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|1,0,0]=3 4459 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|0,0,0]=2 4460 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|1,0,0]=3 4461 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|1,0,0]=3 4462 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|1,0,0]=3 4463 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|1,0,0]=3 4464 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|0,0,0]=2 4465 B11R1.1 CCCNc1ccc(nn1)O 271570a_203496583355_100000215239 [1,1,0,0,0,0|2,0,0]=4 4466 B11R1.1 CCCNc1ncc(cn1)O 271570a_203496583355_200011938755 [1,1,0,0,0,0|2,0,0]=4 4467 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [1,1,0,0,0,0|1,0,1]=4 4468 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|1,0,0]=3 4469 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|1,0,0]=3 4470 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|0,0,0]=2 4471 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|0,0,0]=2 4472 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|1,0,0]=3 4473 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|1,0,0]=3 4474 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|1,0,0]=3 4475 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|1,0,0]=3 4476 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|1,0,0]=3 4477 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,0]=3 4478 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|0,0,0]=2 4479 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [1,1,0,0,0,0|1,0,0]=3 4480 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [1,1,0,0,0,0|2,0,0]=4 4481 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [1,1,0,0,0,0|2,0,0]=4 4482 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [1,1,0,0,0,0|2,0,0]=4 4483 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [1,1,0,0,0,0|1,0,0]=3 4484 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 4485 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 4486 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [1,1,0,0,0,0|1,0,0]=3 4487 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [1,1,0,0,0,0|1,0,0]=3 4488 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [1,1,0,0,0,0|2,0,0]=4 4489 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [1,1,0,0,0,0|2,0,0]=4 4490 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [1,1,0,0,0,0|2,0,0]=4 4491 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [1,1,0,0,0,0|2,0,0]=4 4492 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [1,1,0,0,0,0|2,0,0]=4 4493 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [1,1,0,0,0,0|2,0,0]=4 4494 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [1,1,0,0,0,0|2,0,0]=4 4495 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [1,1,0,0,0,0|2,0,0]=4 4496 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [1,1,0,0,0,0|1,0,0]=3 4497 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [1,1,0,0,0,0|2,0,0]=4 4498 B11R1.1 CCCOc1cnc(nc1)C 34a_100000062939_100000210303 [1,1,0,0,0,0|2,0,0]=4 4499 B11R1.1 CCCOc1cnc(nc1)C 7a_100000062939_100000210303 [1,1,0,0,0,0|2,0,0]=4 4500 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [1,1,0,0,0,0|1,0,1]=4 4501 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [1,1,0,0,0,0|1,0,1]=4 4502 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [1,1,0,0,0,0|1,0,1]=4 4503 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|1,0,0]=3 4504 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|1,0,0]=3 4505 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|0,0,0]=2 4506 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|0,0,0]=2 4507 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|1,0,0]=3 4508 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|1,0,0]=3 4509 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|1,0,0]=3 4510 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|1,0,0]=3 4511 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|1,0,0]=3 4512 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|1,0,0]=3 4513 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|0,0,0]=2 4514 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|0,0,0]=2 4515 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [1,1,0,0,0,0|2,0,0]=4 4516 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [1,1,0,0,0,0|2,0,0]=4 4517 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [1,1,0,0,0,0|1,0,0]=3 4518 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [1,1,0,0,0,0|1,0,0]=3 4519 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [1,1,0,0,0,0|2,0,0]=4 4520 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [1,1,0,0,0,0|2,0,0]=4 4521 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [1,1,0,0,0,0|2,0,0]=4 4522 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [1,1,0,0,0,0|2,0,0]=4 4523 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [1,1,0,0,0,0|2,0,0]=4 4524 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [1,1,0,0,0,0|2,0,0]=4 4525 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [1,1,0,0,0,0|1,0,0]=3 4526 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [1,1,0,0,0,0|1,0,0]=3 4527 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [1,1,0,0,0,0|2,0,0]=4 4528 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [1,1,0,0,0,0|2,0,0]=4 4529 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [1,1,0,0,0,0|1,0,0]=3 4530 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [1,1,0,0,0,0|1,0,0]=3 4531 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [1,1,0,0,0,0|2,0,0]=4 4532 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [1,1,0,0,0,0|2,0,0]=4 4533 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [1,1,0,0,0,0|2,0,0]=4 4534 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [1,1,0,0,0,0|2,0,0]=4 4535 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [1,1,0,0,0,0|2,0,0]=4 4536 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [1,1,0,0,0,0|2,0,0]=4 4537 B11R1.1 CCCSc1ccc(nn1)C 62a_100000210303_100000744512 [1,1,0,0,0,0|2,0,0]=4 4538 B11R1.1 CCCSc1ccc(nn1)C 62a_100000744512_100000210303 [1,1,0,0,0,0|2,0,0]=4 4539 B11R1.1 CCCSc1cnc(cn1)C 62a_100000210303_100011999403 [1,1,0,0,0,0|2,0,0]=4 4540 B11R1.1 CCCSc1cnc(cn1)C 62a_100011999403_100000210303 [1,1,0,0,0,0|2,0,0]=4 4541 B11R1.1 CCCSc1cnc(cn1)O 62a_100000210303_100015839800 [1,1,0,0,0,0|2,0,0]=4 4542 B11R1.1 CCCSc1cnc(cn1)O 62a_100011934580_100000210303 [1,1,0,0,0,0|2,0,0]=4 4543 B11R1.1 CCCSc1cnc(nc1)C 62a_100000210303_100000686985 [1,1,0,0,0,0|2,0,0]=4 4544 B11R1.1 CCCSc1cnc(nc1)C 62a_100000686985_100000210303 [1,1,0,0,0,0|2,0,0]=4 4545 B11R1.1 CCCSc1ncc(cn1)C 62a_100000061069_100000210303 [1,1,0,0,0,0|2,0,0]=4 4546 B11R1.1 CCCSc1ncc(cn1)C 62a_100000210303_100000061069 [1,1,0,0,0,0|2,0,0]=4 4547 B11R1.1 CCCSc1ncc(cn1)O 271570a_203496583355_200011939516 [1,1,0,0,0,0|2,0,0]=4 4548 B11R1.1 CCCSc1ncc(cn1)O 62a_100000210303_100000092845 [1,1,0,0,0,0|2,0,0]=4 4549 B11R1.1 CCCSc1ncc(cn1)O 62a_100000730009_100000210303 [1,1,0,0,0,0|2,0,0]=4 4550 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|1,0,0]=3 4551 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|1,0,0]=3 4552 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|1,0,0]=3 4553 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|1,0,0]=3 4554 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|1,0,0]=3 4555 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|0,0,0]=2 4556 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|0,0,0]=2 4557 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|0,0,0]=2 4558 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|0,0,0]=2 4559 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|0,0,0]=2 4560 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|1,0,0]=3 4561 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|1,0,0]=3 4562 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|1,0,0]=3 4563 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|1,0,0]=3 4564 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|1,0,0]=3 4565 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|1,0,0]=3 4566 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|1,0,0]=3 4567 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|1,0,0]=3 4568 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|1,0,0]=3 4569 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|1,0,0]=3 4570 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|1,0,0]=3 4571 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|1,0,0]=3 4572 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 4573 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 4574 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|0,0,0]=2 4575 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|0,0,0]=2 4576 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [1,1,0,0,0,0|2,0,0]=4 4577 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [1,1,0,0,0,0|2,0,0]=4 4578 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [1,1,0,0,0,0|2,0,0]=4 4579 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [1,1,0,0,0,0|2,0,0]=4 4580 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [1,1,0,0,0,0|1,0,0]=3 4581 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [1,1,0,0,0,0|1,0,0]=3 4582 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [1,1,0,0,0,0|1,0,0]=3 4583 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [1,1,0,0,0,0|1,0,0]=3 4584 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [1,1,0,0,0,0|2,0,0]=4 4585 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [1,1,0,0,0,0|2,0,0]=4 4586 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [1,1,0,0,0,0|2,0,0]=4 4587 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [1,1,0,0,0,0|2,0,0]=4 4588 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [1,1,0,0,0,0|2,0,0]=4 4589 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [1,1,0,0,0,0|2,0,0]=4 4590 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [1,1,0,0,0,0|2,0,0]=4 4591 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [1,1,0,0,0,0|2,0,0]=4 4592 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [1,1,0,0,0,0|2,0,0]=4 4593 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [1,1,0,0,0,0|2,0,0]=4 4594 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [1,1,0,0,0,0|1,0,0]=3 4596 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [1,1,0,0,0,0|1,0,0]=3 4597 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [1,1,0,0,0,0|1,0,0]=3 4598 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 4599 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 4601 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [1,1,0,0,0,0|2,0,0]=4 4602 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [1,1,0,0,0,0|2,0,0]=4 4603 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [1,1,0,0,0,0|2,0,0]=4 4604 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [1,1,0,0,0,0|1,0,0]=3 4605 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [1,1,0,0,0,0|1,0,0]=3 4606 B11R1.1 CCNCc1cnc(cn1)C 2230a_100015525214_100000752025 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.1 CCNCc1cnc(cn1)C 270004a_100015525214_100000685221 [1,1,0,0,0,0|2,0,0]=4 4608 B11R1.1 CCNCc1cnc(cn1)C 34a_100132314150_100000210202 [1,1,0,0,0,0|2,0,0]=4 4609 B11R1.1 CCNCc1cnc(nc1)C 270004a_100015525214_100011202771 [1,1,0,0,0,0|2,0,0]=4 4610 B11R1.1 CCNCc1ncc(cn1)C 2230a_100015525214_100000685645 [1,1,0,0,0,0|2,0,0]=4 4611 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [1,1,0,0,0,0|1,0,0]=3 4612 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4613 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4614 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [1,1,0,0,0,0|1,0,1]=4 4615 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|1,0,0]=3 4616 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|1,0,0]=3 4617 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|0,0,0]=2 4618 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|0,0,0]=2 4619 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|0,0,0]=2 4620 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|1,0,0]=3 4621 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|1,0,0]=3 4622 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|1,0,0]=3 4623 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|1,0,0]=3 4624 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|1,0,0]=3 4625 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|1,0,0]=3 4626 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|1,0,0]=3 4627 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|1,0,0]=3 4628 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|1,0,0]=3 4629 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|1,0,0]=3 4630 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|0,0,0]=2 4631 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [1,1,0,0,0,0|1,0,0]=3 4634 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [1,1,0,0,0,0|1,0,0]=3 4635 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [1,1,0,0,0,0|2,0,0]=4 4638 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [1,1,0,0,0,0|2,0,0]=4 4639 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [1,1,0,0,0,0|2,0,0]=4 4640 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [1,1,0,0,0,0|2,0,0]=4 4641 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [1,1,0,0,0,0|2,0,0]=4 4642 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [1,1,0,0,0,0|2,0,0]=4 4643 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [1,1,0,0,0,0|1,0,0]=3 4644 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [1,1,0,0,0,0|1,0,0]=3 4645 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [1,1,0,0,0,0|2,0,0]=4 4646 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [1,1,0,0,0,0|2,0,0]=4 4647 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [1,1,0,0,0,0|2,0,0]=4 4648 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [1,1,0,0,0,0|2,0,0]=4 4649 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [1,1,0,0,0,0|2,0,0]=4 4650 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [1,1,0,0,0,0|2,0,0]=4 4651 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [1,1,0,0,0,0|1,0,0]=3 4652 B11R1.1 CCOCc1cnc(cn1)C 34a_100011273949_100000210202 [1,1,0,0,0,0|2,0,0]=4 4653 B11R1.1 CCOCc1cnc(nc1)C 34a_100011746891_100000210202 [1,1,0,0,0,0|2,0,0]=4 4654 B11R1.1 CCOCc1ncc(cn1)C 34a_100121572206_100000685645 [1,1,0,0,0,0|2,0,0]=4 4655 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|1,0,0]=3 4656 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|1,0,0]=3 4657 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|0,0,0]=2 4658 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|0,0,0]=2 4659 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|1,0,0]=3 4660 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|1,0,0]=3 4661 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|1,0,0]=3 4662 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|1,0,0]=3 4663 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|1,0,0]=3 4664 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|1,0,0]=3 4665 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [1,1,0,0,0,0|2,0,0]=4 4666 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [1,1,0,0,0,0|2,0,0]=4 4667 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [1,1,0,0,0,0|1,0,0]=3 4668 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [1,1,0,0,0,0|1,0,0]=3 4669 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [1,1,0,0,0,0|2,0,0]=4 4670 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [1,1,0,0,0,0|2,0,0]=4 4671 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [1,1,0,0,0,0|2,0,0]=4 4672 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [1,1,0,0,0,0|2,0,0]=4 4673 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [1,1,0,0,0,0|2,0,0]=4 4674 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [1,1,0,0,0,0|2,0,0]=4 4675 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [1,1,0,0,0,0|1,0,0]=3 4676 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [1,1,0,0,0,0|1,0,0]=3 4677 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [1,1,0,0,0,0|2,0,0]=4 4678 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [1,1,0,0,0,0|2,0,0]=4 4679 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [1,1,0,0,0,0|2,0,0]=4 4680 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [1,1,0,0,0,0|2,0,0]=4 4681 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [1,1,0,0,0,0|2,0,0]=4 4682 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [1,1,0,0,0,0|2,0,0]=4 4683 B11R1.1 CCSCc1ncc(cn1)C 62a_100000210202_100000685645 [1,1,0,0,0,0|2,0,0]=4 4684 B11R1.1 CCSCc1ncc(cn1)C 62a_100000685645_100000210202 [1,1,0,0,0,0|2,0,0]=4 4685 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|1,0,0]=3 4686 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|1,0,0]=3 4687 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|1,0,0]=3 4688 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|1,0,0]=3 4689 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|1,0,0]=3 4690 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 4691 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 4692 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 4693 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|0,0,0]=2 4694 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 4695 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|1,0,0]=3 4696 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|1,0,0]=3 4697 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|1,0,0]=3 4698 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|1,0,0]=3 4699 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|1,0,0]=3 4700 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|1,0,0]=3 4701 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|1,0,0]=3 4702 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|1,0,0]=3 4703 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|1,0,0]=3 4704 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|1,0,0]=3 4705 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 4706 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|0,0,0]=2 4707 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,0]=2 4708 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 4709 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|0,0,2]=4 4710 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 4711 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,0]=3 4712 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 4713 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|0,0,0]=2 4714 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|0,0,0]=2 4715 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|0,0,0]=2 4716 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 4717 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,0]=3 4718 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 4719 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 4720 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,0]=3 4721 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 4722 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 4723 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 4724 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 4725 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|0,0,0]=2 4726 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4727 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|1,0,0]=3 4728 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 4729 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 4730 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|2,0,0]=4 4731 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|2,0,0]=4 4732 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|1,0,0]=3 4733 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [1,1,0,0,0,0|2,0,0]=4 4734 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|2,0,0]=4 4735 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|2,0,0]=4 4736 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|1,0,0]=3 4737 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|1,0,0]=3 4738 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|2,0,0]=4 4739 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|2,0,0]=4 4740 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|2,0,0]=4 4741 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|2,0,0]=4 4742 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|2,0,0]=4 4743 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|2,0,0]=4 4744 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|1,0,0]=3 4745 B11R1.1 COCSc1ccc(cn1)C 62a_100000766300_100000754016 [1,1,0,0,0,0|2,0,0]=4 4746 B11R1.1 COCSc1ccc(cn1)C 62a_100011192072_100000766300 [1,1,0,0,0,0|2,0,0]=4 4747 B11R1.1 COCSc1ccc(cn1)O 62a_100000685995_100000766300 [1,1,0,0,0,0|2,0,0]=4 4748 B11R1.1 COCSc1ccc(cn1)O 62a_100000766300_100000744096 [1,1,0,0,0,0|2,0,0]=4 4749 B11R1.1 COCSc1ccc(nc1)C 62a_100000751577_100000766300 [1,1,0,0,0,0|2,0,0]=4 4750 B11R1.1 COCSc1ccc(nc1)C 62a_100000766300_100000751577 [1,1,0,0,0,0|2,0,0]=4 4751 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|1,0,0]=3 4752 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|1,0,0]=3 4753 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|0,0,0]=2 4754 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|0,0,0]=2 4755 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|1,0,0]=3 4756 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|1,0,0]=3 4757 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|1,0,0]=3 4758 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|1,0,0]=3 4759 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|0,0,0]=2 4760 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|0,0,0]=2 4761 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 4762 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 4763 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|1,0,0]=3 4764 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 4765 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 4766 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,1,0,0,0,0|2,0,0]=4 4767 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 4768 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|1,0,0]=3 4769 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 4770 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|1,0,0]=3 4771 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 4772 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 4773 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 4774 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 4775 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [1,1,0,0,0,0|2,0,0]=4 4776 B11R1.1 CSCOc1ccc(nc1)C 34a_100000745506_100011218213 [1,1,0,0,0,0|2,0,0]=4 4777 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,1,0,0,0,0|2,0,0]=4 4778 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,1,0,0,0,0|2,0,0]=4 4779 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|1,0,0]=3 4780 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|1,0,0]=3 4781 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,1,0,0,0,0|2,0,0]=4 4782 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,1,0,0,0,0|2,0,0]=4 4783 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,1,0,0,0,0|2,0,0]=4 4784 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,1,0,0,0,0|2,0,0]=4 4785 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 4786 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,1,0,0,0,0|2,0,0]=4 4787 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|1,0,0]=3 4788 B11R1.1 CSCSc1ccc(cn1)C 62a_100011192072_100011218213 [1,1,0,0,0,0|2,0,0]=4 4789 B11R1.1 CSCSc1ccc(cn1)C 62a_100011218213_100000754016 [1,1,0,0,0,0|2,0,0]=4 4790 B11R1.1 CSCSc1ccc(cn1)O 62a_100000685995_100011218213 [1,1,0,0,0,0|2,0,0]=4 4791 B11R1.1 CSCSc1ccc(cn1)O 62a_100011218213_100000744096 [1,1,0,0,0,0|2,0,0]=4 4792 B11R1.1 CSCSc1ccc(nc1)C 62a_100000751577_100011218213 [1,1,0,0,0,0|2,0,0]=4 4793 B11R1.1 CSCSc1ccc(nc1)C 62a_100011218213_100000751577 [1,1,0,0,0,0|2,0,0]=4 4794 B11R1.1 C[n+]1ccc(cc1)COCF 34a_100009831711_100015361967 [1,1,0,0,0,0|2,0,0]=4 4795 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 4796 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 4797 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|0,0,0]=2 4798 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|0,0,0]=2 4799 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|0,0,0]=2 4800 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|0,0,0]=2 4801 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|1,0,0]=3 4802 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|1,0,0]=3 4803 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|1,0,0]=3 4804 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|1,0,0]=3 4805 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|1,0,0]=3 4806 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,1]=4 4807 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|1,0,0]=3 4808 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|1,0,0]=3 4809 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [1,1,0,0,0,0|1,0,1]=4 4810 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|1,0,1]=4 4811 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|1,0,1]=4 4812 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|1,0,0]=3 4813 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|1,0,0]=3 4814 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|1,0,0]=3 4815 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|1,0,0]=3 4816 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [1,1,0,0,0,0|1,0,1]=4 4817 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [1,1,0,0,0,0|1,0,1]=4 4818 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|1,0,1]=4 4819 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|1,0,1]=4 4820 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|1,0,0]=3 4821 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|1,0,0]=3 4822 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|1,0,0]=3 4823 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|1,0,0]=3 4824 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|1,0,0]=3 4825 B11R1.1 Cc1ccc(cn1)CNCF 34a_100000740942_100015361967 [1,1,0,0,0,0|2,0,0]=4 4826 B11R1.1 Cc1ccc(cn1)COCF 34a_100011248133_100015361967 [1,1,0,0,0,0|2,0,0]=4 4827 B11R1.1 Cc1ccc(cn1)CSCF 62a_100015361967_100016987292 [1,1,0,0,0,0|2,0,0]=4 4828 B11R1.1 Cc1ccc(cn1)CSCF 62a_100016987292_100015361967 [1,1,0,0,0,0|2,0,0]=4 4829 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [1,1,0,0,0,0|2,0,0]=4 4830 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [1,1,0,0,0,0|2,0,0]=4 4831 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [1,1,0,0,0,0|2,0,0]=4 4832 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [1,1,0,0,0,0|2,0,0]=4 4833 B11R1.1 Cc1ccc(cn1)SCCF 62a_100000751577_100011217306 [1,1,0,0,0,0|2,0,0]=4 4834 B11R1.1 Cc1ccc(cn1)SCCF 62a_100011217306_100000751577 [1,1,0,0,0,0|2,0,0]=4 4835 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [1,1,0,0,0,0|2,0,0]=4 4836 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [1,1,0,0,0,0|2,0,0]=4 4837 B11R1.1 Cc1ccc(nc1)CNCF 34a_100015187455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4838 B11R1.1 Cc1ccc(nc1)COCF 34a_100012001401_100015361967 [1,1,0,0,0,0|2,0,0]=4 4839 B11R1.1 Cc1ccc(nc1)CSCF 62a_100000691093_100015361967 [1,1,0,0,0,0|2,0,0]=4 4840 B11R1.1 Cc1ccc(nc1)CSCF 62a_100015361967_100000691093 [1,1,0,0,0,0|2,0,0]=4 4841 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [1,1,0,0,0,0|2,0,0]=4 4842 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [1,1,0,0,0,0|2,0,0]=4 4843 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [1,1,0,0,0,0|2,0,0]=4 4844 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [1,1,0,0,0,0|2,0,0]=4 4845 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [1,1,0,0,0,0|2,0,0]=4 4846 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [1,1,0,0,0,0|2,0,0]=4 4847 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 4848 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 4849 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 4850 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 4851 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [1,1,0,0,0,0|2,0,0]=4 4852 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 4853 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 4854 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 4855 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 4856 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 4857 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [1,1,0,0,0,0|2,0,0]=4 4858 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 4859 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 4860 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [1,1,0,0,0,0|2,0,0]=4 4861 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [1,1,0,0,0,0|2,0,0]=4 4862 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [1,1,0,0,0,0|2,0,0]=4 4863 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [1,1,0,0,0,0|2,0,0]=4 4864 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [1,1,0,0,0,0|2,0,0]=4 4865 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [1,1,0,0,0,0|2,0,0]=4 4866 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [1,1,0,0,0,0|2,0,0]=4 4867 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [1,1,0,0,0,0|2,0,0]=4 4868 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [1,1,0,0,0,0|2,0,0]=4 4869 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [1,1,0,0,0,0|2,0,0]=4 4870 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [1,1,0,0,0,0|2,0,0]=4 4871 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 4872 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 4873 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 4874 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 4875 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 4876 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 4877 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [1,1,0,0,0,0|2,0,0]=4 4878 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [1,1,0,0,0,0|2,0,0]=4 4879 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [1,1,0,0,0,0|2,0,0]=4 4880 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [1,1,0,0,0,0|2,0,0]=4 4881 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [1,1,0,0,0,0|2,0,0]=4 4882 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [1,1,0,0,0,0|2,0,0]=4 4883 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [1,1,0,0,0,0|2,0,0]=4 4884 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [1,1,0,0,0,0|2,0,0]=4 4885 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|0,0,1]=3 4886 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [1,1,0,0,0,0|1,0,1]=4 4887 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [1,1,0,0,0,0|1,0,1]=4 4888 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [1,1,0,0,0,0|1,0,1]=4 4889 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|0,0,0]=2 4890 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [1,1,0,0,0,0|2,0,0]=4 4891 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|1,0,0]=3 4892 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|1,0,0]=3 4893 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [1,1,0,0,0,0|2,0,0]=4 4894 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 4895 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|2,0,0]=4 4896 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 4897 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [1,1,0,0,0,0|2,0,0]=4 4898 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|2,0,0]=4 4899 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|2,0,0]=4 4900 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,1]=3 4901 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 4902 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,1]=4 4903 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,1,0,0,0,0|0,0,2]=4 4904 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|0,0,0]=2 4905 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|2,0,0]=4 4906 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|2,0,0]=4 4907 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|2,0,0]=4 4908 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|2,0,0]=4 4909 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|2,0,0]=4 4910 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|2,0,0]=4 4911 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,0]=3 4912 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|2,0,0]=4 4913 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|2,0,0]=4 4914 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|2,0,0]=4 4915 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|2,0,0]=4 4916 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|2,0,0]=4 4917 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|2,0,0]=4 4918 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|2,0,0]=4 4919 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|1,0,0]=3 4920 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [1,1,0,0,0,0|2,0,0]=4 4921 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|2,0,0]=4 4922 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|2,0,0]=4 4923 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|2,0,0]=4 4924 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|2,0,0]=4 4925 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|2,0,0]=4 4926 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|2,0,0]=4 4927 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|1,0,0]=3 4928 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [1,1,0,0,0,0|2,0,0]=4 4929 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 4930 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,0]=3 4931 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,0,0]=3 4932 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|1,0,0]=3 4933 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|1,0,0]=3 4934 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [1,1,0,0,0,0|2,0,0]=4 4935 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [1,1,0,0,0,0|2,0,0]=4 4936 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|1,0,0]=3 4937 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|1,0,0]=3 4938 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|1,0,0]=3 4939 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|1,0,0]=3 4940 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|1,0,0]=3 4941 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|1,0,0]=3 4942 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,0]=2 4943 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 4944 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 4945 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 4946 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 4947 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 4948 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 4949 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 4950 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 4951 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 4952 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4953 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 4954 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 4955 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|1,0,0]=3 4956 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|1,0,0]=3 4957 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|1,0,0]=3 4958 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|1,0,0]=3 4959 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|1,0,0]=3 4960 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|1,0,0]=3 4961 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|0,0,0]=2 4962 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|0,0,0]=2 4963 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|0,0,2]=4 4964 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|0,0,2]=4 4965 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,1]=4 4966 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,1]=4 4967 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|0,0,1]=3 4968 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|0,0,1]=3 4969 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,1]=4 4970 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,1]=4 4971 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,1]=4 4972 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,1]=4 4973 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,1]=4 4974 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,1]=4 4975 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|0,0,1]=3 4976 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|0,0,1]=3 4977 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|1,0,1]=4 4978 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|1,0,1]=4 4979 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|1,0,1]=4 4980 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|1,0,1]=4 4981 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|1,0,1]=4 4982 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|1,0,1]=4 4983 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|1,0,1]=4 4984 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|1,0,1]=4 4985 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|1,0,1]=4 4986 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|1,0,1]=4 4987 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|1,0,1]=4 4988 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|1,0,1]=4 4989 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,0|1,0,1]=4 4990 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|0,0,0]=2 4991 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,1,0,0,0,0|2,0,0]=4 4992 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,1,0,0,0,0|2,0,0]=4 4993 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,1,0,0,0,0|2,0,0]=4 4994 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,1,0,0,0,0|2,0,0]=4 4995 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,1,0,0,0,0|2,0,0]=4 4996 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,1,0,0,0,0|2,0,0]=4 4997 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,1,0,0,0,0|1,0,0]=3 4998 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,1,0,0,0,0|1,0,0]=3 4999 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,1,0,0,0,0|2,0,0]=4 5000 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,1,0,0,0,0|2,0,0]=4 5001 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,1,0,0,0,0|2,0,0]=4 5002 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,1,0,0,0,0|2,0,0]=4 5003 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,1,0,0,0,0|2,0,0]=4 5004 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,1,0,0,0,0|2,0,0]=4 5005 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,1,0,0,0,0|2,0,0]=4 5006 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,1,0,0,0,0|2,0,0]=4 5007 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,1,0,0,0,0|1,0,0]=3 5008 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [1,1,0,0,0,0|2,0,0]=4 5009 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [1,1,0,0,0,0|2,0,0]=4 5010 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,1,0,0,0,0|2,0,0]=4 5011 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,1,0,0,0,0|2,0,0]=4 5012 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,1,0,0,0,0|2,0,0]=4 5013 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,1,0,0,0,0|2,0,0]=4 5014 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,1,0,0,0,0|2,0,0]=4 5015 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,1,0,0,0,0|2,0,0]=4 5016 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,1,0,0,0,0|2,0,0]=4 5017 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,1,0,0,0,0|2,0,0]=4 5018 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,1,0,0,0,0|1,0,0]=3 5019 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,1,0,0,0,0|1,0,0]=3 5020 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [1,1,0,0,0,0|2,0,0]=4 5021 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 5022 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 5023 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 5024 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 5025 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 5026 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,1,0,0,0,0|2,0,0]=4 5027 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 5028 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,1,0,0,0,0|2,0,0]=4 5029 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 5030 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,1,0,0,0,0|2,0,0]=4 5031 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,1,0,0,0,0|2,0,0]=4 5032 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 5033 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 5034 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 5035 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 5036 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 5037 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,1,0,0,0,0|2,0,0]=4 5038 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 5039 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 5040 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 5041 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|1,0,0]=3 5042 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|1,0,0]=3 5043 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|1,0,0]=3 5044 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [1,1,0,0,0,0|2,0,0]=4 5045 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 5046 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 5047 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 5048 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 5049 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 5050 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 5051 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 5052 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 5053 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|1,0,0]=3 5054 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|1,0,0]=3 5055 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|0,0,1]=3 5056 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|1,0,0]=3 5057 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|1,0,0]=3 5058 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|1,0,0]=3 5059 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|1,0,0]=3 5060 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|1,0,0]=3 5061 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|1,0,0]=3 5062 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|1,0,0]=3 5063 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|1,0,0]=3 5064 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|1,0,0]=3 5065 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,1,0,0,0,0|1,0,0]=3 5066 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,1,0,0,0,0|1,0,0]=3 5067 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,1,0,0,0,0|1,0,0]=3 5068 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,1,0,0,0,0|1,0,0]=3 5069 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,1,0,0,0,0|1,0,0]=3 5070 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|1,0,1]=4 5071 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [1,1,0,0,0,0|2,0,0]=4 5072 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 5073 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [1,1,0,0,0,0|2,0,0]=4 5074 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 5075 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [1,1,0,0,0,0|2,0,0]=4 5076 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 5077 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 5078 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 5079 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 5080 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 5081 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 5082 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [1,1,0,0,0,0|2,0,0]=4 5083 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [1,1,0,0,0,0|2,0,0]=4 5084 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|1,0,1]=4 5085 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [1,1,0,0,0,0|2,0,0]=4 5086 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [1,1,0,0,0,0|2,0,0]=4 5087 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [1,1,0,0,0,0|2,0,0]=4 5088 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [1,1,0,0,0,0|2,0,0]=4 5089 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [1,1,0,0,0,0|2,0,0]=4 5090 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [1,1,0,0,0,0|2,0,0]=4 5091 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [1,1,0,0,0,0|2,0,0]=4 5092 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,1,0,0,0,0|2,0,0]=4 5093 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [1,1,0,0,0,0|2,0,0]=4 5094 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [1,1,0,0,0,0|2,0,0]=4 5095 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,1]=4 5096 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [1,1,0,0,0,0|2,0,0]=4 5097 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [1,1,0,0,0,0|2,0,0]=4 5098 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,1]=4 5099 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,1]=4 5100 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,1]=4 5101 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,1]=4 5102 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|0,0,1]=3 5103 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|1,0,1]=4 5104 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|2,0,0]=4 5105 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|2,0,0]=4 5106 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|2,0,0]=4 5107 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|2,0,0]=4 5108 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|2,0,0]=4 5109 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|2,0,0]=4 5110 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|2,0,0]=4 5111 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|2,0,0]=4 5112 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|2,0,0]=4 5113 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|2,0,0]=4 5114 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|2,0,0]=4 5115 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|1,0,1]=4 5116 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|0,0,1]=3 5117 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|1,0,1]=4 5118 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|1,0,1]=4 5119 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|1,0,1]=4 5120 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|0,0,1]=3 5121 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|0,0,1]=3 5122 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|1,0,1]=4 5123 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|0,0,0]=2 5124 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|0,0,0]=2 5125 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 5126 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 5127 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 5128 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 5129 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 5130 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 5131 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|1,0,0]=3 5132 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 5133 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|1,0,0]=3 5134 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 5135 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|1,0,0]=3 5136 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 5137 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 5138 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 5139 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 5140 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 5141 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 5142 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 5143 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 5144 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 5145 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 5146 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 5147 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 5148 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 5149 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 5150 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 5151 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 5152 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 5153 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|1,0,0]=3 5154 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 5155 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|1,0,0]=3 5156 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 5157 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 5158 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 5159 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 5160 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 5161 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 5162 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 5163 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 5164 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 5165 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 5166 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 5167 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 5168 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 5169 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 5170 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 5171 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 5172 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|0,0,0]=2 5173 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 5174 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 5175 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,1]=4 5176 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 5177 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 5178 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 5179 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 5180 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,1]=4 5181 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 5182 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|2,0,0]=4 5183 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|2,0,0]=4 5184 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|2,0,0]=4 5185 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|1,0,0]=3 5186 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|1,0,0]=3 5187 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|1,0,0]=3 5188 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|1,0,0]=3 5189 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 5190 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|2,0,0]=4 5191 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 5192 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|2,0,0]=4 5193 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|2,0,0]=4 5194 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|2,0,0]=4 5195 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|2,0,0]=4 5196 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|2,0,0]=4 5197 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|1,0,0]=3 5198 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,1,0,0,0,0|2,0,0]=4 5199 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,1,0,0,0,0|2,0,0]=4 5200 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [1,1,0,0,0,0|2,0,0]=4 5201 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [1,1,0,0,0,0|2,0,0]=4 5202 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [1,1,0,0,0,0|2,0,0]=4 5203 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5204 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5205 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5206 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|1,0,0]=3 5207 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|2,0,0]=4 5208 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|1,0,0]=3 5209 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|1,0,0]=3 5210 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 5211 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 5212 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,1]=4 5213 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5214 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|2,0,0]=4 5215 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5216 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,0]=3 5217 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|2,0,0]=4 5218 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|2,0,0]=4 5219 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|2,0,0]=4 5220 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|2,0,0]=4 5221 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,0]=3 5222 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [1,1,0,0,0,0|2,0,0]=4 5223 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [1,1,0,0,0,0|2,0,0]=4 5224 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 5225 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 5226 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,0]=3 5227 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,0]=3 5228 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|2,0,0]=4 5229 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|2,0,0]=4 5230 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|1,0,0]=3 5231 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|1,0,0]=3 5232 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|2,0,0]=4 5233 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|2,0,0]=4 5234 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|2,0,0]=4 5235 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|2,0,0]=4 5236 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|2,0,0]=4 5237 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 5238 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 5239 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|2,0,0]=4 5240 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|2,0,0]=4 5241 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|2,0,0]=4 5242 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|1,0,0]=3 5243 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 5244 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 5245 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,1]=4 5246 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|1,0,0]=3 5247 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|1,0,0]=3 5248 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 5249 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 5250 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|1,0,0]=3 5251 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|1,0,0]=3 5252 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,0]=3 5253 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,0]=3 5254 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [1,1,0,0,0,0|2,0,0]=4 5255 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [1,1,0,0,0,0|2,0,0]=4 5256 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [1,1,0,0,0,0|2,0,0]=4 5257 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [1,1,0,0,0,0|2,0,0]=4 5258 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,1,0,0,0,0|1,0,1]=4 5259 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,0]=3 5260 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,1]=4 5261 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,0]=3 5262 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,1]=4 5263 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,1]=4 5264 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,0]=3 5265 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 5266 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 5267 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 5268 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 5269 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [1,1,0,0,0,0|0,0,2]=4 5270 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,1,0,0,0,0|0,0,2]=4 5271 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [1,1,0,0,0,0|0,0,2]=4 5272 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,1,0,0,0,0|0,0,2]=4 5273 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [1,1,0,0,0,0|0,0,2]=4 5274 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|0,0,2]=4 5275 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [1,1,0,0,0,0|0,0,2]=4 5276 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,1,0,0,0,0|0,0,2]=4 5277 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [1,1,0,0,0,0|0,0,2]=4 5278 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,1,0,0,0,0|0,0,2]=4 5279 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|0,0,2]=4 5280 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|0,0,2]=4 5281 B11R1.81 CCCc1cnc(nc1O)C 271570a_203496583355_200000069602 [1,1,0,0,0,0|2,0,0]=4 5282 B11R1.81 CCNc1ccc(cc1Br)Br 34a_100000211012_100000210202 [1,1,0,0,0,0|2,0,0]=4 5283 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [1,1,0,0,0,0|1,0,0]=3 5284 B11R1.81 CCNc1ccc(cc1Br)Cl 34a_100000752454_100000210202 [1,1,0,0,0,0|2,0,0]=4 5285 B11R1.81 CCNc1ccc(cc1Br)F 34a_100000738039_100000210202 [1,1,0,0,0,0|2,0,0]=4 5286 B11R1.81 CCNc1ccc(cc1Br)O 34a_100012001276_100000210202 [1,1,0,0,0,0|1,0,0]=3 5287 B11R1.81 CCNc1ccc(cc1C)Br 34a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 5288 B11R1.81 CCNc1ccc(cc1C)Br 7a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 5289 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [1,1,0,0,0,0|1,0,0]=3 5290 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [1,1,0,0,0,0|1,0,0]=3 5291 B11R1.81 CCNc1ccc(cc1C)Cl 34a_100000210418_100000210202 [1,1,0,0,0,0|2,0,0]=4 5292 B11R1.81 CCNc1ccc(cc1C)Cl 7a_100000210418_100000210202 [1,1,0,0,0,0|2,0,0]=4 5293 B11R1.81 CCNc1ccc(cc1C)F 34a_100000211637_100000210202 [1,1,0,0,0,0|2,0,0]=4 5294 B11R1.81 CCNc1ccc(cc1C)F 7a_100000211637_100000210202 [1,1,0,0,0,0|2,0,0]=4 5295 B11R1.81 CCNc1ccc(cc1C)I 34a_100000184554_100000210202 [1,1,0,0,0,0|2,0,0]=4 5296 B11R1.81 CCNc1ccc(cc1C)I 7a_100000184554_100000210202 [1,1,0,0,0,0|2,0,0]=4 5297 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [1,1,0,0,0,0|1,0,0]=3 5298 B11R1.81 CCNc1ccc(cc1Cl)Br 34a_100000211467_100000210202 [1,1,0,0,0,0|2,0,0]=4 5299 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [1,1,0,0,0,0|1,0,0]=3 5300 B11R1.81 CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210202 [1,1,0,0,0,0|2,0,0]=4 5301 B11R1.81 CCNc1ccc(cc1Cl)F 34a_100000212003_100000210202 [1,1,0,0,0,0|2,0,0]=4 5302 B11R1.81 CCNc1ccc(cc1Cl)I 34a_100011218065_100000210202 [1,1,0,0,0,0|2,0,0]=4 5303 B11R1.81 CCNc1ccc(cc1Cl)O 34a_100011215599_100000210202 [1,1,0,0,0,0|1,0,0]=3 5304 B11R1.81 CCNc1ccc(cc1F)Br 34a_100000210722_100000210202 [1,1,0,0,0,0|2,0,0]=4 5305 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [1,1,0,0,0,0|1,0,0]=3 5306 B11R1.81 CCNc1ccc(cc1F)Cl 34a_100000211020_100000210202 [1,1,0,0,0,0|2,0,0]=4 5307 B11R1.81 CCNc1ccc(cc1F)F 34a_100000210720_100000210202 [1,1,0,0,0,0|2,0,0]=4 5308 B11R1.81 CCNc1ccc(cc1F)I 34a_100011215594_100000210202 [1,1,0,0,0,0|2,0,0]=4 5309 B11R1.81 CCNc1ccc(cc1F)O 34a_100000759473_100000210202 [1,1,0,0,0,0|1,0,0]=3 5310 B11R1.81 CCNc1ccc(cc1I)Br 34a_100000187925_100000210202 [1,1,0,0,0,0|2,0,0]=4 5311 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [1,1,0,0,0,0|1,0,0]=3 5312 B11R1.81 CCNc1ccc(cc1I)Cl 34a_100000761889_100000210202 [1,1,0,0,0,0|2,0,0]=4 5313 B11R1.81 CCNc1ccc(cc1I)F 34a_100000760547_100000210202 [1,1,0,0,0,0|2,0,0]=4 5314 B11R1.81 CCNc1ccc(cc1I)O 34a_100010084370_100000210202 [1,1,0,0,0,0|1,0,0]=3 5315 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 5316 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|1,0,0]=3 5317 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 5318 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 5319 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|1,0,0]=3 5320 B11R1.81 CCOc1ccc(cc1Br)Br 34a_100000188717_100000210202 [1,1,0,0,0,0|2,0,0]=4 5321 B11R1.81 CCOc1ccc(cc1Br)Br 7a_100000188717_100000210202 [1,1,0,0,0,0|2,0,0]=4 5322 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [1,1,0,0,0,0|1,0,0]=3 5323 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [1,1,0,0,0,0|1,0,0]=3 5324 B11R1.81 CCOc1ccc(cc1Br)Cl 34a_100000211998_100000210202 [1,1,0,0,0,0|2,0,0]=4 5325 B11R1.81 CCOc1ccc(cc1Br)Cl 7a_100000211998_100000210202 [1,1,0,0,0,0|2,0,0]=4 5326 B11R1.81 CCOc1ccc(cc1Br)F 34a_100000211999_100000210202 [1,1,0,0,0,0|2,0,0]=4 5327 B11R1.81 CCOc1ccc(cc1Br)F 7a_100000211999_100000210202 [1,1,0,0,0,0|2,0,0]=4 5328 B11R1.81 CCOc1ccc(cc1Br)I 34a_100012361655_100000210202 [1,1,0,0,0,0|2,0,0]=4 5329 B11R1.81 CCOc1ccc(cc1Br)I 7a_100012361655_100000210202 [1,1,0,0,0,0|2,0,0]=4 5330 B11R1.81 CCOc1ccc(cc1Br)N 34a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 5331 B11R1.81 CCOc1ccc(cc1Br)N 7a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 5332 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 5333 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 5334 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,1,0,0,0,0|1,0,0]=3 5335 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,1,0,0,0,0|1,0,0]=3 5336 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 5337 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 5338 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 5339 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 5340 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 5341 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 5342 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 5343 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 5344 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,1,0,0,0,0|1,0,0]=3 5345 B11R1.81 CCOc1ccc(cc1Cl)Br 34a_100000186472_100000210202 [1,1,0,0,0,0|2,0,0]=4 5346 B11R1.81 CCOc1ccc(cc1Cl)Br 7a_100000186472_100000210202 [1,1,0,0,0,0|2,0,0]=4 5347 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [1,1,0,0,0,0|1,0,0]=3 5348 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [1,1,0,0,0,0|1,0,0]=3 5349 B11R1.81 CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210202 [1,1,0,0,0,0|2,0,0]=4 5350 B11R1.81 CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210202 [1,1,0,0,0,0|2,0,0]=4 5351 B11R1.81 CCOc1ccc(cc1Cl)F 34a_100000212004_100000210202 [1,1,0,0,0,0|2,0,0]=4 5352 B11R1.81 CCOc1ccc(cc1Cl)F 7a_100000212004_100000210202 [1,1,0,0,0,0|2,0,0]=4 5353 B11R1.81 CCOc1ccc(cc1Cl)I 34a_100012360047_100000210202 [1,1,0,0,0,0|2,0,0]=4 5354 B11R1.81 CCOc1ccc(cc1Cl)I 7a_100012360047_100000210202 [1,1,0,0,0,0|2,0,0]=4 5355 B11R1.81 CCOc1ccc(cc1Cl)N 34a_100000744943_100000210202 [1,1,0,0,0,0|2,0,0]=4 5356 B11R1.81 CCOc1ccc(cc1Cl)N 7a_100000744943_100000210202 [1,1,0,0,0,0|2,0,0]=4 5357 B11R1.81 CCOc1ccc(cc1F)Br 34a_100000185481_100000210202 [1,1,0,0,0,0|2,0,0]=4 5358 B11R1.81 CCOc1ccc(cc1F)Br 7a_100000185481_100000210202 [1,1,0,0,0,0|2,0,0]=4 5359 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [1,1,0,0,0,0|1,0,0]=3 5360 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [1,1,0,0,0,0|1,0,0]=3 5361 B11R1.81 CCOc1ccc(cc1F)Cl 34a_100000230166_100000210202 [1,1,0,0,0,0|2,0,0]=4 5362 B11R1.81 CCOc1ccc(cc1F)Cl 7a_100000230166_100000210202 [1,1,0,0,0,0|2,0,0]=4 5363 B11R1.81 CCOc1ccc(cc1F)F 34a_100000230127_100000210202 [1,1,0,0,0,0|2,0,0]=4 5364 B11R1.81 CCOc1ccc(cc1F)F 7a_100000230127_100000210202 [1,1,0,0,0,0|2,0,0]=4 5365 B11R1.81 CCOc1ccc(cc1F)I 34a_100011356965_100000210202 [1,1,0,0,0,0|2,0,0]=4 5366 B11R1.81 CCOc1ccc(cc1F)I 7a_100011356965_100000210202 [1,1,0,0,0,0|2,0,0]=4 5367 B11R1.81 CCOc1ccc(cc1F)N 34a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 5368 B11R1.81 CCOc1ccc(cc1F)N 7a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 5369 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [1,1,0,0,0,0|1,0,0]=3 5370 B11R1.81 CCOc1ccc(cc1I)Br 34a_100012355227_100000210202 [1,1,0,0,0,0|2,0,0]=4 5371 B11R1.81 CCOc1ccc(cc1I)Br 7a_100012355227_100000210202 [1,1,0,0,0,0|2,0,0]=4 5372 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [1,1,0,0,0,0|1,0,0]=3 5373 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [1,1,0,0,0,0|1,0,0]=3 5374 B11R1.81 CCOc1ccc(cc1I)Cl 34a_100011356953_100000210202 [1,1,0,0,0,0|2,0,0]=4 5375 B11R1.81 CCOc1ccc(cc1I)Cl 7a_100011356953_100000210202 [1,1,0,0,0,0|2,0,0]=4 5376 B11R1.81 CCOc1ccc(cc1I)F 34a_100012355409_100000210202 [1,1,0,0,0,0|2,0,0]=4 5377 B11R1.81 CCOc1ccc(cc1I)F 7a_100012355409_100000210202 [1,1,0,0,0,0|2,0,0]=4 5378 B11R1.81 CCOc1ccc(cc1I)I 7a_100010001573_100000210202 [1,1,0,0,0,0|2,0,0]=4 5379 B11R1.81 CCOc1ccc(cc1N)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 5380 B11R1.81 CCOc1ccc(cc1N)Br 7a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 5381 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [1,1,0,0,0,0|1,0,0]=3 5382 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [1,1,0,0,0,0|1,0,0]=3 5383 B11R1.81 CCOc1ccc(cc1N)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 5384 B11R1.81 CCOc1ccc(cc1N)Cl 7a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 5385 B11R1.81 CCOc1ccc(cc1N)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 5386 B11R1.81 CCOc1ccc(cc1N)F 7a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 5387 B11R1.81 CCOc1ccc(cc1N)I 34a_100000753495_100000210202 [1,1,0,0,0,0|2,0,0]=4 5388 B11R1.81 CCOc1ccc(cc1N)I 7a_100000753495_100000210202 [1,1,0,0,0,0|2,0,0]=4 5389 B11R1.81 CCOc1ccc(cc1N)N 34a_100000725306_100000210202 [1,1,0,0,0,0|2,0,0]=4 5390 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [1,1,0,0,0,0|1,0,0]=3 5391 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|1,0,0]=3 5392 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,1,0,0,0,0|2,0,0]=4 5393 B11R1.81 CCOc1ccc(nc1Br)C 34a_100000702858_100000210202 [1,1,0,0,0,0|2,0,0]=4 5394 B11R1.81 CCOc1ccc(nc1Br)C 7a_100000702858_100000210202 [1,1,0,0,0,0|2,0,0]=4 5395 B11R1.81 CCOc1ccc(nc1C)C 34a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 5396 B11R1.81 CCOc1ccc(nc1C)C 7a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 5397 B11R1.81 CCOc1ccc(nc1Cl)C 34a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 5398 B11R1.81 CCOc1ccc(nc1Cl)C 7a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 5399 B11R1.81 CCOc1ccc(nc1F)C 34a_100000079963_100000210202 [1,1,0,0,0,0|2,0,0]=4 5400 B11R1.81 CCOc1ccc(nc1F)C 7a_100000079963_100000210202 [1,1,0,0,0,0|2,0,0]=4 5401 B11R1.81 CCOc1ccc(nc1I)C 34a_100000023897_100000210202 [1,1,0,0,0,0|2,0,0]=4 5402 B11R1.81 CCOc1ccc(nc1I)C 7a_100000023897_100000210202 [1,1,0,0,0,0|2,0,0]=4 5403 B11R1.81 CCOc1ccc(nc1N)C 34a_100000694039_100000210202 [1,1,0,0,0,0|2,0,0]=4 5404 B11R1.81 CCOc1ccc(nc1N)C 7a_100000694039_100000210202 [1,1,0,0,0,0|2,0,0]=4 5405 B11R1.81 CCOc1cnc(cc1Br)C 34a_100009843476_100000210202 [1,1,0,0,0,0|2,0,0]=4 5406 B11R1.81 CCOc1cnc(cc1Br)C 7a_100009843476_100000210202 [1,1,0,0,0,0|2,0,0]=4 5407 B11R1.81 CCOc1cnc(cc1C)C 34a_200000068632_100000210202 [1,1,0,0,0,0|2,0,0]=4 5408 B11R1.81 CCOc1cnc(cc1C)C 7a_200000068632_100000210202 [1,1,0,0,0,0|2,0,0]=4 5409 B11R1.81 CCOc1coc(cc1=O)C 34a_100000081520_100000210202 [1,1,0,0,0,0|2,0,0]=4 5410 B11R1.81 CCOc1ncc(cc1Br)C 34a_100000719714_100000210202 [1,1,0,0,0,0|2,0,0]=4 5411 B11R1.81 CCOc1ncc(cc1C)O 271570a_203496583355_100012351028 [1,1,0,0,0,0|2,0,0]=4 5412 B11R1.81 CCOc1ncc(cc1N)C 34a_100012000488_100000210202 [1,1,0,0,0,0|2,0,0]=4 5413 B11R1.81 CCOc1ncc(cc1N)O 271570a_203496583355_100011433076 [1,1,0,0,0,0|2,0,0]=4 5414 B11R1.81 CCSc1ccc(c[n+]1[O-])C 62a_100000210202_100009819918 [1,1,0,0,0,0|2,0,0]=4 5415 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100000210202_100011484698 [1,1,0,0,0,0|2,0,0]=4 5416 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100011484698_100000210202 [1,1,0,0,0,0|2,0,0]=4 5417 B11R1.81 CCSc1ccc(cc1Br)C 62a_100000210202_100009813563 [1,1,0,0,0,0|1,0,0]=3 5418 B11R1.81 CCSc1ccc(cc1Br)C 62a_100009813563_100000210202 [1,1,0,0,0,0|1,0,0]=3 5419 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100000210202_100011219703 [1,1,0,0,0,0|2,0,0]=4 5420 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210202 [1,1,0,0,0,0|2,0,0]=4 5421 B11R1.81 CCSc1ccc(cc1Br)F 62a_100000210202_100011217111 [1,1,0,0,0,0|2,0,0]=4 5422 B11R1.81 CCSc1ccc(cc1Br)F 62a_100011217111_100000210202 [1,1,0,0,0,0|2,0,0]=4 5423 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000210202_100000750458 [1,1,0,0,0,0|2,0,0]=4 5424 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000750458_100000210202 [1,1,0,0,0,0|2,0,0]=4 5425 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000210202_100000701344 [1,1,0,0,0,0|1,0,0]=3 5426 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000701344_100000210202 [1,1,0,0,0,0|1,0,0]=3 5427 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000210202_100000701812 [1,1,0,0,0,0|2,0,0]=4 5428 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000701812_100000210202 [1,1,0,0,0,0|2,0,0]=4 5429 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [1,1,0,0,0,0|1,0,0]=3 5430 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [1,1,0,0,0,0|1,0,0]=3 5431 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100000210202_100011219607 [1,1,0,0,0,0|2,0,0]=4 5432 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100011219607_100000210202 [1,1,0,0,0,0|2,0,0]=4 5433 B11R1.81 CCSc1ccc(cc1C)F 62a_100000210202_100011205405 [1,1,0,0,0,0|2,0,0]=4 5434 B11R1.81 CCSc1ccc(cc1C)F 62a_100011205405_100000210202 [1,1,0,0,0,0|2,0,0]=4 5435 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210202_100000210723 [1,1,0,0,0,0|2,0,0]=4 5436 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5437 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [1,1,0,0,0,0|1,0,0]=3 5438 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100000210202_100011216062 [1,1,0,0,0,0|2,0,0]=4 5439 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210202 [1,1,0,0,0,0|2,0,0]=4 5440 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100000210202_100011263221 [1,1,0,0,0,0|1,0,0]=3 5441 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100011263221_100000210202 [1,1,0,0,0,0|1,0,0]=3 5442 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000210202_100000699841 [1,1,0,0,0,0|2,0,0]=4 5443 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210202 [1,1,0,0,0,0|2,0,0]=4 5444 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000210202_100000733362 [1,1,0,0,0,0|2,0,0]=4 5445 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000733362_100000210202 [1,1,0,0,0,0|2,0,0]=4 5446 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000210202_100000761885 [1,1,0,0,0,0|2,0,0]=4 5447 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000761885_100000210202 [1,1,0,0,0,0|2,0,0]=4 5448 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000047559_100000210202 [1,1,0,0,0,0|1,0,0]=3 5449 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000210202_100000047559 [1,1,0,0,0,0|1,0,0]=3 5450 B11R1.81 CCSc1ccc(cc1F)Br 62a_100000210202_100009814013 [1,1,0,0,0,0|2,0,0]=4 5451 B11R1.81 CCSc1ccc(cc1F)Br 62a_100009814013_100000210202 [1,1,0,0,0,0|2,0,0]=4 5452 B11R1.81 CCSc1ccc(cc1F)C 62a_100000210202_100011216119 [1,1,0,0,0,0|1,0,0]=3 5453 B11R1.81 CCSc1ccc(cc1F)C 62a_100011216119_100000210202 [1,1,0,0,0,0|1,0,0]=3 5454 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100000210202_100011216042 [1,1,0,0,0,0|2,0,0]=4 5455 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100011216042_100000210202 [1,1,0,0,0,0|2,0,0]=4 5456 B11R1.81 CCSc1ccc(cc1F)F 62a_100000210202_100000750030 [1,1,0,0,0,0|2,0,0]=4 5457 B11R1.81 CCSc1ccc(cc1F)F 62a_100000750030_100000210202 [1,1,0,0,0,0|2,0,0]=4 5458 B11R1.81 CCSc1ccc(cc1F)N 62a_100000210202_100011356925 [1,1,0,0,0,0|2,0,0]=4 5459 B11R1.81 CCSc1ccc(cc1F)N 62a_100011356925_100000210202 [1,1,0,0,0,0|2,0,0]=4 5460 B11R1.81 CCSc1ccc(cc1F)O 62a_100000210202_100000755031 [1,1,0,0,0,0|1,0,0]=3 5461 B11R1.81 CCSc1ccc(cc1F)O 62a_100000755031_100000210202 [1,1,0,0,0,0|1,0,0]=3 5462 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000210202_100000743836 [1,1,0,0,0,0|2,0,0]=4 5463 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000743836_100000210202 [1,1,0,0,0,0|2,0,0]=4 5464 B11R1.81 CCSc1ccc(cc1N)C 62a_100000210202_100011216686 [1,1,0,0,0,0|1,0,0]=3 5465 B11R1.81 CCSc1ccc(cc1N)C 62a_100011216686_100000210202 [1,1,0,0,0,0|1,0,0]=3 5466 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000210202_100000761886 [1,1,0,0,0,0|2,0,0]=4 5467 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000761886_100000210202 [1,1,0,0,0,0|2,0,0]=4 5468 B11R1.81 CCSc1ccc(cc1N)F 62a_100000210202_100000687223 [1,1,0,0,0,0|2,0,0]=4 5469 B11R1.81 CCSc1ccc(cc1N)F 62a_100000687223_100000210202 [1,1,0,0,0,0|2,0,0]=4 5470 B11R1.81 CCSc1ccc(cc1N)N 62a_100000210202_200012175722 [1,1,0,0,0,0|2,0,0]=4 5471 B11R1.81 CCSc1ccc(cc1N)N 62a_200012175722_100000210202 [1,1,0,0,0,0|2,0,0]=4 5472 B11R1.81 CCSc1ccc(cc1N)O 62a_100000210202_100011999798 [1,1,0,0,0,0|1,0,0]=3 5473 B11R1.81 CCSc1ccc(cc1N)O 62a_100011999798_100000210202 [1,1,0,0,0,0|1,0,0]=3 5474 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [1,1,0,0,0,0|2,0,0]=4 5475 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 5476 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|1,0,0]=3 5477 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|1,0,0]=3 5478 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 5479 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [1,1,0,0,0,0|2,0,0]=4 5480 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [1,1,0,0,0,0|2,0,0]=4 5481 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 5482 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|1,0,0]=3 5483 B11R1.81 CCSc1ccc(nc1C)C 62a_100000210202_100009813853 [1,1,0,0,0,0|2,0,0]=4 5484 B11R1.81 CCSc1ccc(nc1C)C 62a_100009813853_100000210202 [1,1,0,0,0,0|2,0,0]=4 5485 B11R1.81 CCSc1ccc(nc1C)O 62a_100000210202_100000691680 [1,1,0,0,0,0|2,0,0]=4 5486 B11R1.81 CCSc1ccc(nc1C)O 62a_100000691680_100000210202 [1,1,0,0,0,0|2,0,0]=4 5487 B11R1.81 CCSc1ccc(nc1F)C 62a_100000210202_100010006597 [1,1,0,0,0,0|2,0,0]=4 5488 B11R1.81 CCSc1ccc(nc1F)C 62a_100010006597_100000210202 [1,1,0,0,0,0|2,0,0]=4 5489 B11R1.81 CCSc1ccc(nc1F)O 62a_100000210202_100009879308 [1,1,0,0,0,0|2,0,0]=4 5490 B11R1.81 CCSc1ccc(nc1F)O 62a_100009879308_100000210202 [1,1,0,0,0,0|2,0,0]=4 5491 B11R1.81 CCSc1ccc(nc1N)C 62a_100000210202_100009816662 [1,1,0,0,0,0|2,0,0]=4 5492 B11R1.81 CCSc1ccc(nc1N)C 62a_100009816662_100000210202 [1,1,0,0,0,0|2,0,0]=4 5493 B11R1.81 CCSc1ccc(nc1O)C 62a_100000210202_100009817604 [1,1,0,0,0,0|2,0,0]=4 5494 B11R1.81 CCSc1ccc(nc1O)C 62a_100009817604_100000210202 [1,1,0,0,0,0|2,0,0]=4 5495 B11R1.81 CCSc1cnc(cc1C)C 62a_100000210202_100009819613 [1,1,0,0,0,0|2,0,0]=4 5496 B11R1.81 CCSc1cnc(cc1C)C 62a_100009819613_100000210202 [1,1,0,0,0,0|2,0,0]=4 5497 B11R1.81 CCSc1cnc(cc1C)O 62a_100000210202_100000766222 [1,1,0,0,0,0|2,0,0]=4 5498 B11R1.81 CCSc1cnc(cc1C)O 62a_100000766222_100000210202 [1,1,0,0,0,0|2,0,0]=4 5499 B11R1.81 CCSc1cnc(cc1N)C 62a_100000210202_100009817891 [1,1,0,0,0,0|2,0,0]=4 5500 B11R1.81 CCSc1cnc(cc1N)C 62a_100009817891_100000210202 [1,1,0,0,0,0|2,0,0]=4 5501 B11R1.81 CCSc1cnc(cc1O)C 62a_100000210202_100011016184 [1,1,0,0,0,0|2,0,0]=4 5502 B11R1.81 CCSc1cnc(cc1O)C 62a_100011016184_100000210202 [1,1,0,0,0,0|2,0,0]=4 5503 B11R1.81 CCSc1ncc(cc1C)C 62a_100000210202_100009864548 [1,1,0,0,0,0|2,0,0]=4 5504 B11R1.81 CCSc1ncc(cc1C)C 62a_100009864548_100000210202 [1,1,0,0,0,0|2,0,0]=4 5505 B11R1.81 CCSc1ncc(cc1C)O 62a_100000210202_100012000486 [1,1,0,0,0,0|2,0,0]=4 5506 B11R1.81 CCSc1ncc(cc1C)O 62a_100012000486_100000210202 [1,1,0,0,0,0|2,0,0]=4 5507 B11R1.81 CCSc1ncc(cc1F)C 62a_100000210202_100009819633 [1,1,0,0,0,0|2,0,0]=4 5508 B11R1.81 CCSc1ncc(cc1F)C 62a_100009819633_100000210202 [1,1,0,0,0,0|2,0,0]=4 5509 B11R1.81 CCSc1ncc(cc1F)O 62a_100000210202_100000063512 [1,1,0,0,0,0|2,0,0]=4 5510 B11R1.81 CCSc1ncc(cc1N)C 62a_100000210202_100000733613 [1,1,0,0,0,0|2,0,0]=4 5511 B11R1.81 CCSc1ncc(cc1N)C 62a_100000733613_100000210202 [1,1,0,0,0,0|2,0,0]=4 5512 B11R1.81 CCSc1ncc(cc1O)C 62a_100000210202_100012000487 [1,1,0,0,0,0|2,0,0]=4 5513 B11R1.81 CNCc1ccc(cc1Br)Br 207a_100102657272_100012351556 [1,1,0,0,0,0|2,0,0]=4 5514 B11R1.81 CNCc1ccc(cc1Br)Br 2230a_106832991635_200012351560 [1,1,0,0,0,0|2,0,0]=4 5515 B11R1.81 CNCc1ccc(cc1Br)Br 26a_100102657272_100000188717 [1,1,0,0,0,0|2,0,0]=4 5516 B11R1.81 CNCc1ccc(cc1Br)Br 270004a_106832991635_100012351556 [1,1,0,0,0,0|2,0,0]=4 5517 B11R1.81 CNCc1ccc(cc1Br)Br 34a_100102657272_200012351560 [1,1,0,0,0,0|2,0,0]=4 5518 B11R1.81 CNCc1ccc(cc1Br)Br 7a_106832991635_200012351560 [1,1,0,0,0,0|2,0,0]=4 5519 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [1,1,0,0,0,0|1,0,0]=3 5520 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [1,1,0,0,0,0|1,0,0]=3 5521 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [1,1,0,0,0,0|1,0,0]=3 5522 B11R1.81 CNCc1ccc(cc1Br)Cl 207a_100102657272_100000687667 [1,1,0,0,0,0|2,0,0]=4 5523 B11R1.81 CNCc1ccc(cc1Br)Cl 2230a_106832991635_100000755608 [1,1,0,0,0,0|2,0,0]=4 5524 B11R1.81 CNCc1ccc(cc1Br)Cl 26a_100102657272_100000211998 [1,1,0,0,0,0|2,0,0]=4 5525 B11R1.81 CNCc1ccc(cc1Br)Cl 270004a_106832991635_100000687667 [1,1,0,0,0,0|2,0,0]=4 5526 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102657272_100000755608 [1,1,0,0,0,0|2,0,0]=4 5527 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102692131_200000210301 [1,1,0,0,0,0|2,0,0]=4 5528 B11R1.81 CNCc1ccc(cc1Br)Cl 7a_106832991635_100000755608 [1,1,0,0,0,0|2,0,0]=4 5529 B11R1.81 CNCc1ccc(cc1Br)F 207a_100102657272_100000685661 [1,1,0,0,0,0|2,0,0]=4 5530 B11R1.81 CNCc1ccc(cc1Br)F 2230a_106832991635_100000243222 [1,1,0,0,0,0|2,0,0]=4 5531 B11R1.81 CNCc1ccc(cc1Br)F 26a_100102657272_100000211999 [1,1,0,0,0,0|2,0,0]=4 5532 B11R1.81 CNCc1ccc(cc1Br)F 270004a_106832991635_100000685661 [1,1,0,0,0,0|2,0,0]=4 5533 B11R1.81 CNCc1ccc(cc1Br)F 34a_100000708791_200000210301 [1,1,0,0,0,0|2,0,0]=4 5534 B11R1.81 CNCc1ccc(cc1Br)F 34a_100102657272_100000243222 [1,1,0,0,0,0|2,0,0]=4 5535 B11R1.81 CNCc1ccc(cc1Br)F 7a_106832991635_100000243222 [1,1,0,0,0,0|2,0,0]=4 5536 B11R1.81 CNCc1ccc(cc1Br)I 207a_100102657272_100010185650 [1,1,0,0,0,0|2,0,0]=4 5537 B11R1.81 CNCc1ccc(cc1Br)I 2230a_106832991635_100010146610 [1,1,0,0,0,0|2,0,0]=4 5538 B11R1.81 CNCc1ccc(cc1Br)I 26a_100102657272_100012361655 [1,1,0,0,0,0|2,0,0]=4 5539 B11R1.81 CNCc1ccc(cc1Br)I 34a_100102657272_100010146610 [1,1,0,0,0,0|2,0,0]=4 5540 B11R1.81 CNCc1ccc(cc1Br)I 7a_106832991635_100010146610 [1,1,0,0,0,0|2,0,0]=4 5541 B11R1.81 CNCc1ccc(cc1C)Br 207a_100102657272_100000687586 [1,1,0,0,0,0|2,0,0]=4 5542 B11R1.81 CNCc1ccc(cc1C)Br 2230a_106832991635_100000708836 [1,1,0,0,0,0|2,0,0]=4 5543 B11R1.81 CNCc1ccc(cc1C)Br 26a_100102657272_100000186361 [1,1,0,0,0,0|2,0,0]=4 5544 B11R1.81 CNCc1ccc(cc1C)Br 270004a_106832991635_100000687586 [1,1,0,0,0,0|2,0,0]=4 5545 B11R1.81 CNCc1ccc(cc1C)Br 34a_100000753881_200000210301 [1,1,0,0,0,0|2,0,0]=4 5546 B11R1.81 CNCc1ccc(cc1C)Br 34a_100102657272_100000708836 [1,1,0,0,0,0|2,0,0]=4 5547 B11R1.81 CNCc1ccc(cc1C)Br 7a_106832991635_100000708836 [1,1,0,0,0,0|2,0,0]=4 5548 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [1,1,0,0,0,0|1,0,0]=3 5549 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [1,1,0,0,0,0|1,0,0]=3 5550 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [1,1,0,0,0,0|1,0,0]=3 5551 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [1,1,0,0,0,0|1,0,0]=3 5552 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [1,1,0,0,0,0|1,0,0]=3 5553 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [1,1,0,0,0,0|1,0,0]=3 5554 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [1,1,0,0,0,0|2,0,0]=4 5555 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [1,1,0,0,0,0|2,0,0]=4 5556 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [1,1,0,0,0,0|2,0,0]=4 5557 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [1,1,0,0,0,0|2,0,0]=4 5558 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [1,1,0,0,0,0|2,0,0]=4 5559 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [1,1,0,0,0,0|2,0,0]=4 5560 B11R1.81 CNCc1ccc(cc1C)F 207a_100102657272_100000745986 [1,1,0,0,0,0|2,0,0]=4 5561 B11R1.81 CNCc1ccc(cc1C)F 2230a_106832991635_100000700533 [1,1,0,0,0,0|2,0,0]=4 5562 B11R1.81 CNCc1ccc(cc1C)F 270004a_106832991635_100000745986 [1,1,0,0,0,0|2,0,0]=4 5563 B11R1.81 CNCc1ccc(cc1C)F 34a_100102657272_100000700533 [1,1,0,0,0,0|2,0,0]=4 5564 B11R1.81 CNCc1ccc(cc1C)F 34a_100137329023_200000210301 [1,1,0,0,0,0|2,0,0]=4 5565 B11R1.81 CNCc1ccc(cc1C)F 7a_106832991635_100000700533 [1,1,0,0,0,0|2,0,0]=4 5566 B11R1.81 CNCc1ccc(cc1Cl)Br 207a_100102657272_100000764164 [1,1,0,0,0,0|2,0,0]=4 5567 B11R1.81 CNCc1ccc(cc1Cl)Br 2230a_106832991635_100011740631 [1,1,0,0,0,0|2,0,0]=4 5568 B11R1.81 CNCc1ccc(cc1Cl)Br 26a_100102657272_100000186472 [1,1,0,0,0,0|2,0,0]=4 5569 B11R1.81 CNCc1ccc(cc1Cl)Br 270004a_106832991635_100000764164 [1,1,0,0,0,0|2,0,0]=4 5570 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100020628970_200000210301 [1,1,0,0,0,0|2,0,0]=4 5571 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100102657272_100011740631 [1,1,0,0,0,0|2,0,0]=4 5572 B11R1.81 CNCc1ccc(cc1Cl)Br 7a_106832991635_100011740631 [1,1,0,0,0,0|2,0,0]=4 5573 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [1,1,0,0,0,0|1,0,0]=3 5574 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [1,1,0,0,0,0|1,0,0]=3 5575 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [1,1,0,0,0,0|1,0,0]=3 5576 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [1,1,0,0,0,0|1,0,0]=3 5577 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [1,1,0,0,0,0|1,0,0]=3 5578 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [1,1,0,0,0,0|1,0,0]=3 5579 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [1,1,0,0,0,0|1,0,0]=3 5580 B11R1.81 CNCc1ccc(cc1Cl)Cl 207a_100102657272_100000188887 [1,1,0,0,0,0|2,0,0]=4 5581 B11R1.81 CNCc1ccc(cc1Cl)Cl 2230a_106832991635_100000188473 [1,1,0,0,0,0|2,0,0]=4 5582 B11R1.81 CNCc1ccc(cc1Cl)Cl 26a_100102657272_100015191787 [1,1,0,0,0,0|2,0,0]=4 5583 B11R1.81 CNCc1ccc(cc1Cl)Cl 270004a_106832991635_100000188887 [1,1,0,0,0,0|2,0,0]=4 5584 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100000174880_200000210301 [1,1,0,0,0,0|2,0,0]=4 5585 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100102657272_100000188473 [1,1,0,0,0,0|2,0,0]=4 5586 B11R1.81 CNCc1ccc(cc1Cl)Cl 7a_106832991635_100000188473 [1,1,0,0,0,0|2,0,0]=4 5587 B11R1.81 CNCc1ccc(cc1Cl)F 207a_100102657272_100000752949 [1,1,0,0,0,0|2,0,0]=4 5588 B11R1.81 CNCc1ccc(cc1Cl)F 2230a_106832991635_100011216360 [1,1,0,0,0,0|2,0,0]=4 5589 B11R1.81 CNCc1ccc(cc1Cl)F 26a_100102657272_100000212004 [1,1,0,0,0,0|2,0,0]=4 5590 B11R1.81 CNCc1ccc(cc1Cl)F 270004a_106832991635_100000752949 [1,1,0,0,0,0|2,0,0]=4 5591 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100000174946_200000210301 [1,1,0,0,0,0|2,0,0]=4 5592 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100102657272_100011216360 [1,1,0,0,0,0|2,0,0]=4 5593 B11R1.81 CNCc1ccc(cc1Cl)F 7a_106832991635_100011216360 [1,1,0,0,0,0|2,0,0]=4 5594 B11R1.81 CNCc1ccc(cc1Cl)I 207a_100102657272_100000727542 [1,1,0,0,0,0|2,0,0]=4 5595 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,0]=3 5596 B11R1.81 CNCc1ccc(cc1F)Br 207a_100102657272_100000211676 [1,1,0,0,0,0|2,0,0]=4 5597 B11R1.81 CNCc1ccc(cc1F)Br 2230a_106832991635_100000211606 [1,1,0,0,0,0|2,0,0]=4 5598 B11R1.81 CNCc1ccc(cc1F)Br 26a_100102657272_100000185481 [1,1,0,0,0,0|2,0,0]=4 5599 B11R1.81 CNCc1ccc(cc1F)Br 270004a_106832991635_100000211676 [1,1,0,0,0,0|2,0,0]=4 5600 B11R1.81 CNCc1ccc(cc1F)Br 34a_100000754580_200000210301 [1,1,0,0,0,0|2,0,0]=4 5601 B11R1.81 CNCc1ccc(cc1F)Br 34a_100102657272_100000211606 [1,1,0,0,0,0|2,0,0]=4 5602 B11R1.81 CNCc1ccc(cc1F)Br 7a_106832991635_100000211606 [1,1,0,0,0,0|2,0,0]=4 5603 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [1,1,0,0,0,0|1,0,0]=3 5604 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [1,1,0,0,0,0|1,0,0]=3 5605 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [1,1,0,0,0,0|1,0,0]=3 5606 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [1,1,0,0,0,0|1,0,0]=3 5607 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [1,1,0,0,0,0|1,0,0]=3 5608 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [1,1,0,0,0,0|1,0,0]=3 5609 B11R1.81 CNCc1ccc(cc1F)Cl 207a_100102657272_100000697372 [1,1,0,0,0,0|2,0,0]=4 5610 B11R1.81 CNCc1ccc(cc1F)Cl 2230a_106832991635_100000709361 [1,1,0,0,0,0|2,0,0]=4 5611 B11R1.81 CNCc1ccc(cc1F)Cl 270004a_106832991635_100000697372 [1,1,0,0,0,0|2,0,0]=4 5612 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100000708496_200000210301 [1,1,0,0,0,0|2,0,0]=4 5613 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100102657272_100000709361 [1,1,0,0,0,0|2,0,0]=4 5614 B11R1.81 CNCc1ccc(cc1F)Cl 7a_106832991635_100000709361 [1,1,0,0,0,0|2,0,0]=4 5615 B11R1.81 CNCc1ccc(cc1F)F 207a_100102657272_100000211964 [1,1,0,0,0,0|2,0,0]=4 5616 B11R1.81 CNCc1ccc(cc1F)F 2230a_106832991635_100000748237 [1,1,0,0,0,0|2,0,0]=4 5617 B11R1.81 CNCc1ccc(cc1F)F 270004a_106832991635_100000211964 [1,1,0,0,0,0|2,0,0]=4 5618 B11R1.81 CNCc1ccc(cc1F)F 34a_100000737868_200000210301 [1,1,0,0,0,0|2,0,0]=4 5619 B11R1.81 CNCc1ccc(cc1F)F 34a_100102657272_100000748237 [1,1,0,0,0,0|2,0,0]=4 5620 B11R1.81 CNCc1ccc(cc1F)F 7a_106832991635_100000748237 [1,1,0,0,0,0|2,0,0]=4 5621 B11R1.81 CNCc1ccc(cc1F)I 207a_100102657272_100000050965 [1,1,0,0,0,0|2,0,0]=4 5622 B11R1.81 CNCc1ccc(cc1F)I 2230a_106832991635_100010244991 [1,1,0,0,0,0|2,0,0]=4 5623 B11R1.81 CNCc1ccc(cc1F)I 34a_100102657272_100010244991 [1,1,0,0,0,0|2,0,0]=4 5624 B11R1.81 CNCc1ccc(cc1F)I 7a_106832991635_100010244991 [1,1,0,0,0,0|2,0,0]=4 5625 B11R1.81 CNCc1ccc(cc1I)Br 207a_100102657272_100010146562 [1,1,0,0,0,0|2,0,0]=4 5626 B11R1.81 CNCc1ccc(cc1I)Br 2230a_106832991635_100010146615 [1,1,0,0,0,0|2,0,0]=4 5627 B11R1.81 CNCc1ccc(cc1I)Br 26a_100102657272_100012355227 [1,1,0,0,0,0|2,0,0]=4 5628 B11R1.81 CNCc1ccc(cc1I)Br 270004a_106832991635_100010146562 [1,1,0,0,0,0|2,0,0]=4 5629 B11R1.81 CNCc1ccc(cc1I)Br 34a_100102657272_100010146615 [1,1,0,0,0,0|2,0,0]=4 5630 B11R1.81 CNCc1ccc(cc1I)Br 7a_106832991635_100010146615 [1,1,0,0,0,0|2,0,0]=4 5631 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [1,1,0,0,0,0|1,0,0]=3 5632 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [1,1,0,0,0,0|1,0,0]=3 5633 B11R1.81 CNCc1ccc(cc1I)Cl 2230a_106832991635_100010254388 [1,1,0,0,0,0|2,0,0]=4 5634 B11R1.81 CNCc1ccc(cc1I)Cl 34a_100102657272_100010254388 [1,1,0,0,0,0|2,0,0]=4 5635 B11R1.81 CNCc1ccc(cc1I)Cl 7a_106832991635_100010254388 [1,1,0,0,0,0|2,0,0]=4 5636 B11R1.81 CNCc1ccc(cc1I)F 207a_100102657272_100010254405 [1,1,0,0,0,0|2,0,0]=4 5637 B11R1.81 CNCc1ccc(cc1I)F 2230a_106832991635_100012354799 [1,1,0,0,0,0|2,0,0]=4 5638 B11R1.81 CNCc1ccc(cc1I)F 34a_100102657272_100012354799 [1,1,0,0,0,0|2,0,0]=4 5639 B11R1.81 CNCc1ccc(cc1I)F 7a_106832991635_100012354799 [1,1,0,0,0,0|2,0,0]=4 5640 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [1,1,0,0,0,0|2,0,0]=4 5641 B11R1.81 CNCc1ccc(nc1Br)C 2230a_106832991635_200010064658 [1,1,0,0,0,0|2,0,0]=4 5642 B11R1.81 CNCc1ccc(nc1Br)C 34a_100102657272_200010064658 [1,1,0,0,0,0|2,0,0]=4 5643 B11R1.81 CNCc1ccc(nc1Br)C 7a_106832991635_200010064658 [1,1,0,0,0,0|2,0,0]=4 5644 B11R1.81 CNCc1ccc(nc1C)C 207a_100102657272_100011794427 [1,1,0,0,0,0|2,0,0]=4 5645 B11R1.81 CNCc1ccc(nc1C)C 270004a_106832991635_100011794427 [1,1,0,0,0,0|2,0,0]=4 5646 B11R1.81 CNCc1cnc(cc1C)C 207a_100102657272_200009869383 [1,1,0,0,0,0|2,0,0]=4 5647 B11R1.81 CNCc1cnc(cc1C)C 270004a_106832991635_200009869383 [1,1,0,0,0,0|2,0,0]=4 5648 B11R1.81 CNCc1ncc(cc1C)C 2230a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 5649 B11R1.81 CNCc1ncc(cc1C)C 34a_100102657272_100016990036 [1,1,0,0,0,0|2,0,0]=4 5650 B11R1.81 CNCc1ncc(cc1C)C 7a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 5651 B11R1.81 CNCc1ncc(cc1F)C 207a_100102657272_100009845184 [1,1,0,0,0,0|2,0,0]=4 5652 B11R1.81 CNCc1ncc(cc1F)C 270004a_106832991635_100009845184 [1,1,0,0,0,0|2,0,0]=4 5653 B11R1.81 COCc1ccc(cc1Br)Br 34a_100012357508_200000210301 [1,1,0,0,0,0|2,0,0]=4 5654 B11R1.81 COCc1ccc(cc1Br)Br 34a_100138415774_200012351560 [1,1,0,0,0,0|2,0,0]=4 5655 B11R1.81 COCc1ccc(cc1Br)Br 7a_100012357508_200000210301 [1,1,0,0,0,0|2,0,0]=4 5656 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100000707881_200000210301 [1,1,0,0,0,0|2,0,0]=4 5657 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100138415774_100000755608 [1,1,0,0,0,0|2,0,0]=4 5658 B11R1.81 COCc1ccc(cc1Br)Cl 7a_100000707881_200000210301 [1,1,0,0,0,0|2,0,0]=4 5659 B11R1.81 COCc1ccc(cc1Br)F 34a_100000744086_200000210301 [1,1,0,0,0,0|2,0,0]=4 5660 B11R1.81 COCc1ccc(cc1Br)F 34a_100138415774_100000243222 [1,1,0,0,0,0|2,0,0]=4 5661 B11R1.81 COCc1ccc(cc1Br)F 7a_100000744086_200000210301 [1,1,0,0,0,0|2,0,0]=4 5662 B11R1.81 COCc1ccc(cc1Br)I 34a_100138415774_100010146610 [1,1,0,0,0,0|2,0,0]=4 5663 B11R1.81 COCc1ccc(cc1Br)I 7a_100010240206_200000210301 [1,1,0,0,0,0|2,0,0]=4 5664 B11R1.81 COCc1ccc(cc1C)Br 34a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 5665 B11R1.81 COCc1ccc(cc1C)Br 34a_100138415774_100000708836 [1,1,0,0,0,0|2,0,0]=4 5666 B11R1.81 COCc1ccc(cc1C)Br 7a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 5667 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [1,1,0,0,0,0|1,0,0]=3 5668 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [1,1,0,0,0,0|1,0,0]=3 5669 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [1,1,0,0,0,0|1,0,0]=3 5670 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 5671 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [1,1,0,0,0,0|2,0,0]=4 5672 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 5673 B11R1.81 COCc1ccc(cc1C)F 34a_100000700136_200000210301 [1,1,0,0,0,0|2,0,0]=4 5674 B11R1.81 COCc1ccc(cc1C)F 34a_100138415774_100000700533 [1,1,0,0,0,0|2,0,0]=4 5675 B11R1.81 COCc1ccc(cc1C)F 7a_100000700136_200000210301 [1,1,0,0,0,0|2,0,0]=4 5676 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 5677 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 5678 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100000756401_200000210301 [1,1,0,0,0,0|2,0,0]=4 5679 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100138415774_100011740631 [1,1,0,0,0,0|2,0,0]=4 5680 B11R1.81 COCc1ccc(cc1Cl)Br 7a_100000756401_200000210301 [1,1,0,0,0,0|2,0,0]=4 5681 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [1,1,0,0,0,0|1,0,0]=3 5682 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [1,1,0,0,0,0|1,0,0]=3 5683 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [1,1,0,0,0,0|1,0,0]=3 5684 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100000215721_200000210301 [1,1,0,0,0,0|2,0,0]=4 5685 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100138415774_100000188473 [1,1,0,0,0,0|2,0,0]=4 5686 B11R1.81 COCc1ccc(cc1Cl)Cl 7a_100000215721_200000210301 [1,1,0,0,0,0|2,0,0]=4 5687 B11R1.81 COCc1ccc(cc1Cl)F 34a_100011219954_200000210301 [1,1,0,0,0,0|2,0,0]=4 5688 B11R1.81 COCc1ccc(cc1Cl)F 34a_100138415774_100011216360 [1,1,0,0,0,0|2,0,0]=4 5689 B11R1.81 COCc1ccc(cc1Cl)F 7a_100011219954_200000210301 [1,1,0,0,0,0|2,0,0]=4 5690 B11R1.81 COCc1ccc(cc1Cl)N 34a_100000689119_200000210301 [1,1,0,0,0,0|2,0,0]=4 5691 B11R1.81 COCc1ccc(cc1F)Br 34a_100011191541_200000210301 [1,1,0,0,0,0|2,0,0]=4 5692 B11R1.81 COCc1ccc(cc1F)Br 34a_100138415774_100000211606 [1,1,0,0,0,0|2,0,0]=4 5693 B11R1.81 COCc1ccc(cc1F)Br 7a_100011191541_200000210301 [1,1,0,0,0,0|2,0,0]=4 5694 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [1,1,0,0,0,0|1,0,0]=3 5695 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [1,1,0,0,0,0|1,0,0]=3 5696 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [1,1,0,0,0,0|1,0,0]=3 5697 B11R1.81 COCc1ccc(cc1F)Cl 34a_100011217562_200000210301 [1,1,0,0,0,0|2,0,0]=4 5698 B11R1.81 COCc1ccc(cc1F)Cl 34a_100138415774_100000709361 [1,1,0,0,0,0|2,0,0]=4 5699 B11R1.81 COCc1ccc(cc1F)Cl 7a_100011217562_200000210301 [1,1,0,0,0,0|2,0,0]=4 5700 B11R1.81 COCc1ccc(cc1F)F 34a_100011215441_200000210301 [1,1,0,0,0,0|2,0,0]=4 5701 B11R1.81 COCc1ccc(cc1F)F 34a_100138415774_100000748237 [1,1,0,0,0,0|2,0,0]=4 5702 B11R1.81 COCc1ccc(cc1F)F 7a_100011215441_200000210301 [1,1,0,0,0,0|2,0,0]=4 5703 B11R1.81 COCc1ccc(cc1F)I 34a_100138415774_100010244991 [1,1,0,0,0,0|2,0,0]=4 5704 B11R1.81 COCc1ccc(cc1F)I 34a_200010202041_200000210301 [1,1,0,0,0,0|2,0,0]=4 5705 B11R1.81 COCc1ccc(cc1F)I 7a_200010202041_200000210301 [1,1,0,0,0,0|2,0,0]=4 5706 B11R1.81 COCc1ccc(cc1I)Br 34a_100138415774_100010146615 [1,1,0,0,0,0|2,0,0]=4 5707 B11R1.81 COCc1ccc(cc1I)Br 7a_100010146605_200000210301 [1,1,0,0,0,0|2,0,0]=4 5708 B11R1.81 COCc1ccc(cc1I)Cl 34a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 5709 B11R1.81 COCc1ccc(cc1I)Cl 34a_100138415774_100010254388 [1,1,0,0,0,0|2,0,0]=4 5710 B11R1.81 COCc1ccc(cc1I)Cl 7a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 5711 B11R1.81 COCc1ccc(cc1I)F 34a_100011356828_200000210301 [1,1,0,0,0,0|2,0,0]=4 5712 B11R1.81 COCc1ccc(cc1I)F 34a_100138415774_100012354799 [1,1,0,0,0,0|2,0,0]=4 5713 B11R1.81 COCc1ccc(cc1I)F 7a_100011356828_200000210301 [1,1,0,0,0,0|2,0,0]=4 5714 B11R1.81 COCc1ccc(cc1N)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 5715 B11R1.81 COCc1ccc(cc1N)Br 7a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 5716 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [1,1,0,0,0,0|1,0,0]=3 5717 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [1,1,0,0,0,0|1,0,0]=3 5718 B11R1.81 COCc1ccc(cc1N)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 5719 B11R1.81 COCc1ccc(cc1N)Cl 7a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 5720 B11R1.81 COCc1ccc(cc1N)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 5721 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [1,1,0,0,0,0|1,0,0]=3 5722 B11R1.81 COCc1ccc(nc1Br)C 34a_100138415774_200010064658 [1,1,0,0,0,0|2,0,0]=4 5723 B11R1.81 COCc1ccc(nc1C)C 34a_100011756430_200000210301 [1,1,0,0,0,0|2,0,0]=4 5724 B11R1.81 COCc1ccc(nc1C)C 7a_100011756430_200000210301 [1,1,0,0,0,0|2,0,0]=4 5725 B11R1.81 COCc1ccc(nc1Cl)C 34a_102495338573_200000210301 [1,1,0,0,0,0|2,0,0]=4 5726 B11R1.81 COCc1ccc(nc1Cl)C 7a_102495338573_200000210301 [1,1,0,0,0,0|2,0,0]=4 5727 B11R1.81 COCc1cnc(cc1N)C 34a_200012022818_200000210301 [1,1,0,0,0,0|2,0,0]=4 5728 B11R1.81 COCc1ncc(cc1C)C 34a_100012000483_200000210301 [1,1,0,0,0,0|2,0,0]=4 5729 B11R1.81 COCc1ncc(cc1C)C 34a_100138415774_100016990036 [1,1,0,0,0,0|2,0,0]=4 5730 B11R1.81 COCc1ncc(cc1C)C 7a_100012000483_200000210301 [1,1,0,0,0,0|2,0,0]=4 5731 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200000210301_200012351560 [1,1,0,0,0,0|2,0,0]=4 5732 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200012351560_200000210301 [1,1,0,0,0,0|2,0,0]=4 5733 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_100000755608_200000210301 [1,1,0,0,0,0|2,0,0]=4 5734 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_200000210301_100000755608 [1,1,0,0,0,0|2,0,0]=4 5735 B11R1.81 CSCc1ccc(cc1Br)F 62a_100000243222_200000210301 [1,1,0,0,0,0|2,0,0]=4 5736 B11R1.81 CSCc1ccc(cc1Br)F 62a_200000210301_100000243222 [1,1,0,0,0,0|2,0,0]=4 5737 B11R1.81 CSCc1ccc(cc1Br)I 62a_100010146610_200000210301 [1,1,0,0,0,0|2,0,0]=4 5738 B11R1.81 CSCc1ccc(cc1Br)I 62a_200000210301_100010146610 [1,1,0,0,0,0|2,0,0]=4 5739 B11R1.81 CSCc1ccc(cc1C)Br 62a_100000708836_200000210301 [1,1,0,0,0,0|2,0,0]=4 5740 B11R1.81 CSCc1ccc(cc1C)Br 62a_200000210301_100000708836 [1,1,0,0,0,0|2,0,0]=4 5741 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,1,0,0,0,0|1,0,0]=3 5742 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,1,0,0,0,0|1,0,0]=3 5743 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [1,1,0,0,0,0|2,0,0]=4 5744 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [1,1,0,0,0,0|2,0,0]=4 5745 B11R1.81 CSCc1ccc(cc1C)F 62a_100000700533_200000210301 [1,1,0,0,0,0|2,0,0]=4 5746 B11R1.81 CSCc1ccc(cc1C)F 62a_200000210301_100000700533 [1,1,0,0,0,0|2,0,0]=4 5747 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_100011740631_200000210301 [1,1,0,0,0,0|2,0,0]=4 5748 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_200000210301_100011740631 [1,1,0,0,0,0|2,0,0]=4 5749 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [1,1,0,0,0,0|1,0,0]=3 5750 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [1,1,0,0,0,0|1,0,0]=3 5751 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_100000188473_200000210301 [1,1,0,0,0,0|2,0,0]=4 5752 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_200000210301_100000188473 [1,1,0,0,0,0|2,0,0]=4 5753 B11R1.81 CSCc1ccc(cc1Cl)F 62a_100000187853_200000210301 [1,1,0,0,0,0|2,0,0]=4 5754 B11R1.81 CSCc1ccc(cc1Cl)F 62a_200000210301_100000187853 [1,1,0,0,0,0|2,0,0]=4 5755 B11R1.81 CSCc1ccc(cc1F)Br 62a_100000211606_200000210301 [1,1,0,0,0,0|2,0,0]=4 5756 B11R1.81 CSCc1ccc(cc1F)Br 62a_200000210301_100000211606 [1,1,0,0,0,0|2,0,0]=4 5757 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [1,1,0,0,0,0|1,0,0]=3 5758 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [1,1,0,0,0,0|1,0,0]=3 5759 B11R1.81 CSCc1ccc(cc1F)Cl 62a_100000709361_200000210301 [1,1,0,0,0,0|2,0,0]=4 5760 B11R1.81 CSCc1ccc(cc1F)Cl 62a_200000210301_100000709361 [1,1,0,0,0,0|2,0,0]=4 5761 B11R1.81 CSCc1ccc(cc1F)F 62a_100000748237_200000210301 [1,1,0,0,0,0|2,0,0]=4 5762 B11R1.81 CSCc1ccc(cc1F)F 62a_200000210301_100000748237 [1,1,0,0,0,0|2,0,0]=4 5763 B11R1.81 CSCc1ccc(cc1F)I 62a_100010244991_200000210301 [1,1,0,0,0,0|2,0,0]=4 5764 B11R1.81 CSCc1ccc(cc1F)I 62a_200000210301_100010244991 [1,1,0,0,0,0|2,0,0]=4 5765 B11R1.81 CSCc1ccc(cc1I)Br 62a_100010146615_200000210301 [1,1,0,0,0,0|2,0,0]=4 5766 B11R1.81 CSCc1ccc(cc1I)Br 62a_200000210301_100010146615 [1,1,0,0,0,0|2,0,0]=4 5767 B11R1.81 CSCc1ccc(cc1I)Cl 62a_100010254388_200000210301 [1,1,0,0,0,0|2,0,0]=4 5768 B11R1.81 CSCc1ccc(cc1I)Cl 62a_200000210301_100010254388 [1,1,0,0,0,0|2,0,0]=4 5769 B11R1.81 CSCc1ccc(cc1I)F 62a_100012354799_200000210301 [1,1,0,0,0,0|2,0,0]=4 5770 B11R1.81 CSCc1ccc(cc1I)F 62a_200000210301_100012354799 [1,1,0,0,0,0|2,0,0]=4 5771 B11R1.81 CSCc1ccc(nc1Br)C 62a_200000210301_200010064658 [1,1,0,0,0,0|2,0,0]=4 5772 B11R1.81 CSCc1ccc(nc1Br)C 62a_200010064658_200000210301 [1,1,0,0,0,0|2,0,0]=4 5773 B11R1.81 CSCc1ncc(cc1C)C 62a_100016990036_200000210301 [1,1,0,0,0,0|2,0,0]=4 5774 B11R1.81 CSCc1ncc(cc1C)C 62a_200000210301_100016990036 [1,1,0,0,0,0|2,0,0]=4 5775 B11R1.81 Cc1cc(c(cn1)CO[13CH3])N 34a_200012022818_200025704644 [1,1,0,0,0,0|2,0,0]=4 5776 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [1,1,0,0,0,0|1,0,1]=4 5777 B11R1.81 Cc1cc(ccc1CN[13CH3])Br 34a_100000753881_200025704644 [1,1,0,0,0,0|2,0,0]=4 5778 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [1,1,0,0,0,0|2,0,0]=4 5779 B11R1.81 Cc1cc(ccc1CN[13CH3])F 34a_100137329023_200025704644 [1,1,0,0,0,0|2,0,0]=4 5780 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 34a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 5781 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 7a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 5782 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 5783 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 5784 B11R1.81 Cc1cc(ccc1CO[13CH3])F 34a_100000700136_200025704644 [1,1,0,0,0,0|2,0,0]=4 5785 B11R1.81 Cc1cc(ccc1CO[13CH3])F 7a_100000700136_200025704644 [1,1,0,0,0,0|2,0,0]=4 5786 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 5787 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 5788 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_100000708836_200025704644 [1,1,0,0,0,0|2,0,0]=4 5789 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_200025704644_100000708836 [1,1,0,0,0,0|2,0,0]=4 5790 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [1,1,0,0,0,0|2,0,0]=4 5791 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [1,1,0,0,0,0|2,0,0]=4 5792 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_100000700533_200025704644 [1,1,0,0,0,0|2,0,0]=4 5793 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_200025704644_100000700533 [1,1,0,0,0,0|2,0,0]=4 5794 B11R1.81 Cc1cc(ccc1NCF)O 34a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 5795 B11R1.81 Cc1cc(ccc1SCF)O 62a_100015361967_100000690111 [1,1,0,0,0,0|2,0,0]=4 5796 B11R1.81 Cc1ccc(c(c1)Br)NCF 34a_100000210942_100015361967 [1,1,0,0,0,0|2,0,0]=4 5797 B11R1.81 Cc1ccc(c(c1)Br)OCF 34a_100000210800_100015361967 [1,1,0,0,0,0|2,0,0]=4 5798 B11R1.81 Cc1ccc(c(c1)Br)OCF 7a_100000210800_100015361967 [1,1,0,0,0,0|2,0,0]=4 5799 B11R1.81 Cc1ccc(c(c1)Br)SCF 62a_100009813563_100015361967 [1,1,0,0,0,0|2,0,0]=4 5800 B11R1.81 Cc1ccc(c(c1)Br)SCF 62a_100015361967_100009813563 [1,1,0,0,0,0|2,0,0]=4 5801 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [1,1,0,0,0,0|1,0,0]=3 5802 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [1,1,0,0,0,0|1,0,0]=3 5803 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [1,1,0,0,0,0|1,0,0]=3 5804 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,1,0,0,0,0|1,0,0]=3 5805 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,1,0,0,0,0|1,0,0]=3 5806 B11R1.81 Cc1ccc(c(c1)C)NCF 34a_100000736561_100015361967 [1,1,0,0,0,0|2,0,0]=4 5807 B11R1.81 Cc1ccc(c(c1)C)NCF 7a_100000736561_100015361967 [1,1,0,0,0,0|2,0,0]=4 5808 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5809 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5810 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100011217332_100015361967 [1,1,0,0,0,0|2,0,0]=4 5811 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100015361967_100011217332 [1,1,0,0,0,0|2,0,0]=4 5812 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [1,1,0,0,0,0|1,0,0]=3 5813 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [1,1,0,0,0,0|1,0,0]=3 5814 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [1,1,0,0,0,0|1,0,0]=3 5815 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [1,1,0,0,0,0|1,0,0]=3 5816 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [1,1,0,0,0,0|1,0,0]=3 5817 B11R1.81 Cc1ccc(c(c1)Cl)NCF 34a_100000210522_100015361967 [1,1,0,0,0,0|2,0,0]=4 5818 B11R1.81 Cc1ccc(c(c1)Cl)OCF 34a_100000749699_100015361967 [1,1,0,0,0,0|2,0,0]=4 5819 B11R1.81 Cc1ccc(c(c1)Cl)OCF 7a_100000749699_100015361967 [1,1,0,0,0,0|2,0,0]=4 5820 B11R1.81 Cc1ccc(c(c1)Cl)SCF 62a_100011263221_100015361967 [1,1,0,0,0,0|2,0,0]=4 5821 B11R1.81 Cc1ccc(c(c1)Cl)SCF 62a_100015361967_100011263221 [1,1,0,0,0,0|2,0,0]=4 5822 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [1,1,0,0,0,0|1,0,0]=3 5823 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [1,1,0,0,0,0|1,0,0]=3 5824 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [1,1,0,0,0,0|1,0,0]=3 5825 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [1,1,0,0,0,0|1,0,0]=3 5826 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [1,1,0,0,0,0|1,0,0]=3 5827 B11R1.81 Cc1ccc(c(c1)F)NCF 34a_100000211023_100015361967 [1,1,0,0,0,0|2,0,0]=4 5828 B11R1.81 Cc1ccc(c(c1)F)OCF 34a_100011216688_100015361967 [1,1,0,0,0,0|2,0,0]=4 5829 B11R1.81 Cc1ccc(c(c1)F)OCF 7a_100011216688_100015361967 [1,1,0,0,0,0|2,0,0]=4 5830 B11R1.81 Cc1ccc(c(c1)F)SCF 62a_100011216119_100015361967 [1,1,0,0,0,0|2,0,0]=4 5831 B11R1.81 Cc1ccc(c(c1)F)SCF 62a_100015361967_100011216119 [1,1,0,0,0,0|2,0,0]=4 5832 B11R1.81 Cc1ccc(c(c1)I)NCF 34a_100011356834_100015361967 [1,1,0,0,0,0|2,0,0]=4 5833 B11R1.81 Cc1ccc(c(c1)I)OCF 34a_100000765521_100015361967 [1,1,0,0,0,0|2,0,0]=4 5834 B11R1.81 Cc1ccc(c(c1)I)OCF 7a_100000765521_100015361967 [1,1,0,0,0,0|2,0,0]=4 5835 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [1,1,0,0,0,0|1,0,0]=3 5836 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [1,1,0,0,0,0|1,0,0]=3 5837 B11R1.81 Cc1ccc(c(c1)N)OCF 34a_100011215204_100015361967 [1,1,0,0,0,0|2,0,0]=4 5838 B11R1.81 Cc1ccc(c(c1)N)OCF 7a_100011215204_100015361967 [1,1,0,0,0,0|2,0,0]=4 5839 B11R1.81 Cc1ccc(c(c1)N)SCF 62a_100011216686_100015361967 [1,1,0,0,0,0|2,0,0]=4 5840 B11R1.81 Cc1ccc(c(c1)N)SCF 62a_100015361967_100011216686 [1,1,0,0,0,0|2,0,0]=4 5841 B11R1.81 Cc1ccc(c(c1)O)NCF 34a_100000211527_100015361967 [1,1,0,0,0,0|2,0,0]=4 5842 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100012002257_100015361967 [1,1,0,0,0,0|2,0,0]=4 5843 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100015361967_100012002257 [1,1,0,0,0,0|2,0,0]=4 5844 B11R1.81 Cc1ccc(c(n1)Br)CS[13CH3] 62a_200010064658_200025704644 [1,1,0,0,0,0|2,0,0]=4 5845 B11R1.81 Cc1ccc(c(n1)Br)CS[13CH3] 62a_200025704644_200010064658 [1,1,0,0,0,0|2,0,0]=4 5846 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 34a_100011756430_200025704644 [1,1,0,0,0,0|2,0,0]=4 5847 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 7a_100011756430_200025704644 [1,1,0,0,0,0|2,0,0]=4 5848 B11R1.81 Cc1ccc(c(n1)Cl)CO[13CH3] 34a_102495338573_200025704644 [1,1,0,0,0,0|2,0,0]=4 5849 B11R1.81 Cc1ccc(c(n1)Cl)CO[13CH3] 7a_102495338573_200025704644 [1,1,0,0,0,0|2,0,0]=4 5850 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 34a_100012000483_200025704644 [1,1,0,0,0,0|2,0,0]=4 5851 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 7a_100012000483_200025704644 [1,1,0,0,0,0|2,0,0]=4 5852 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_100016990036_200025704644 [1,1,0,0,0,0|2,0,0]=4 5853 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_200025704644_100016990036 [1,1,0,0,0,0|2,0,0]=4 5854 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [1,1,0,0,0,0|1,0,1]=4 5855 B11R1.81 Nc1cc(ccc1SCF)O 62a_100011999798_100015361967 [1,1,0,0,0,0|2,0,0]=4 5856 B11R1.81 Nc1cc(ccc1SCF)O 62a_100015361967_100011999798 [1,1,0,0,0,0|2,0,0]=4 5857 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|1,0,0]=3 5858 B11R1.81 Oc1ccc(c(c1)Br)NCF 34a_100012001276_100015361967 [1,1,0,0,0,0|2,0,0]=4 5859 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100000701344_100015361967 [1,1,0,0,0,0|2,0,0]=4 5860 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100015361967_100000701344 [1,1,0,0,0,0|2,0,0]=4 5861 B11R1.81 Oc1ccc(c(c1)Cl)NCF 34a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 5862 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100000047559_100015361967 [1,1,0,0,0,0|2,0,0]=4 5863 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100015361967_100000047559 [1,1,0,0,0,0|2,0,0]=4 5864 B11R1.81 Oc1ccc(c(c1)F)NCF 34a_100000759473_100015361967 [1,1,0,0,0,0|2,0,0]=4 5865 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100000755031_100015361967 [1,1,0,0,0,0|2,0,0]=4 5866 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100015361967_100000755031 [1,1,0,0,0,0|2,0,0]=4 5867 B11R1.81 Oc1ccc(c(c1)I)NCF 34a_100010084370_100015361967 [1,1,0,0,0,0|2,0,0]=4 5868 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [1,1,0,0,0,0|2,0,0]=4 5869 B11R1.81 Oc1ccc(c(c1)O)SCF 62a_100015361967_100009813921 [1,1,0,0,0,0|2,0,0]=4 5870 B11R1.81 [13CH3]NCc1ccc(cc1Br)Cl 34a_100102692131_200025704644 [1,1,0,0,0,0|2,0,0]=4 5871 B11R1.81 [13CH3]NCc1ccc(cc1Br)F 34a_100000708791_200025704644 [1,1,0,0,0,0|2,0,0]=4 5872 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Br 34a_100020628970_200025704644 [1,1,0,0,0,0|2,0,0]=4 5873 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Cl 34a_100000174880_200025704644 [1,1,0,0,0,0|2,0,0]=4 5874 B11R1.81 [13CH3]NCc1ccc(cc1Cl)F 34a_100000174946_200025704644 [1,1,0,0,0,0|2,0,0]=4 5875 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,0]=3 5876 B11R1.81 [13CH3]NCc1ccc(cc1F)Br 34a_100000754580_200025704644 [1,1,0,0,0,0|2,0,0]=4 5877 B11R1.81 [13CH3]NCc1ccc(cc1F)Cl 34a_100000708496_200025704644 [1,1,0,0,0,0|2,0,0]=4 5878 B11R1.81 [13CH3]NCc1ccc(cc1F)F 34a_100000737868_200025704644 [1,1,0,0,0,0|2,0,0]=4 5879 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 34a_100012357508_200025704644 [1,1,0,0,0,0|2,0,0]=4 5880 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 7a_100012357508_200025704644 [1,1,0,0,0,0|2,0,0]=4 5881 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 34a_100000707881_200025704644 [1,1,0,0,0,0|2,0,0]=4 5882 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 7a_100000707881_200025704644 [1,1,0,0,0,0|2,0,0]=4 5883 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 34a_100000744086_200025704644 [1,1,0,0,0,0|2,0,0]=4 5884 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 7a_100000744086_200025704644 [1,1,0,0,0,0|2,0,0]=4 5885 B11R1.81 [13CH3]OCc1ccc(cc1Br)I 7a_100010240206_200025704644 [1,1,0,0,0,0|2,0,0]=4 5886 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 34a_100000756401_200025704644 [1,1,0,0,0,0|2,0,0]=4 5887 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 7a_100000756401_200025704644 [1,1,0,0,0,0|2,0,0]=4 5888 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 34a_100000215721_200025704644 [1,1,0,0,0,0|2,0,0]=4 5889 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 7a_100000215721_200025704644 [1,1,0,0,0,0|2,0,0]=4 5890 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 34a_100011219954_200025704644 [1,1,0,0,0,0|2,0,0]=4 5891 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 7a_100011219954_200025704644 [1,1,0,0,0,0|2,0,0]=4 5892 B11R1.81 [13CH3]OCc1ccc(cc1Cl)N 34a_100000689119_200025704644 [1,1,0,0,0,0|2,0,0]=4 5893 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 34a_100011191541_200025704644 [1,1,0,0,0,0|2,0,0]=4 5894 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 7a_100011191541_200025704644 [1,1,0,0,0,0|2,0,0]=4 5895 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 34a_100011217562_200025704644 [1,1,0,0,0,0|2,0,0]=4 5896 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 7a_100011217562_200025704644 [1,1,0,0,0,0|2,0,0]=4 5897 B11R1.81 [13CH3]OCc1ccc(cc1F)F 34a_100011215441_200025704644 [1,1,0,0,0,0|2,0,0]=4 5898 B11R1.81 [13CH3]OCc1ccc(cc1F)F 7a_100011215441_200025704644 [1,1,0,0,0,0|2,0,0]=4 5899 B11R1.81 [13CH3]OCc1ccc(cc1F)I 34a_200010202041_200025704644 [1,1,0,0,0,0|2,0,0]=4 5900 B11R1.81 [13CH3]OCc1ccc(cc1F)I 7a_200010202041_200025704644 [1,1,0,0,0,0|2,0,0]=4 5901 B11R1.81 [13CH3]OCc1ccc(cc1I)Br 7a_100010146605_200025704644 [1,1,0,0,0,0|2,0,0]=4 5902 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 34a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 5903 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 7a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 5904 B11R1.81 [13CH3]OCc1ccc(cc1I)F 34a_100011356828_200025704644 [1,1,0,0,0,0|2,0,0]=4 5905 B11R1.81 [13CH3]OCc1ccc(cc1I)F 7a_100011356828_200025704644 [1,1,0,0,0,0|2,0,0]=4 5906 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 5907 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 7a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 5908 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 5909 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 7a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 5910 B11R1.81 [13CH3]OCc1ccc(cc1N)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 5911 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200012351560_200025704644 [1,1,0,0,0,0|2,0,0]=4 5912 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200025704644_200012351560 [1,1,0,0,0,0|2,0,0]=4 5913 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_100000755608_200025704644 [1,1,0,0,0,0|2,0,0]=4 5914 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_200025704644_100000755608 [1,1,0,0,0,0|2,0,0]=4 5915 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_100000243222_200025704644 [1,1,0,0,0,0|2,0,0]=4 5916 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_200025704644_100000243222 [1,1,0,0,0,0|2,0,0]=4 5917 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_100010146610_200025704644 [1,1,0,0,0,0|2,0,0]=4 5918 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_200025704644_100010146610 [1,1,0,0,0,0|2,0,0]=4 5919 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_100011740631_200025704644 [1,1,0,0,0,0|2,0,0]=4 5920 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_200025704644_100011740631 [1,1,0,0,0,0|2,0,0]=4 5921 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_100000188473_200025704644 [1,1,0,0,0,0|2,0,0]=4 5922 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_200025704644_100000188473 [1,1,0,0,0,0|2,0,0]=4 5923 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_100000187853_200025704644 [1,1,0,0,0,0|2,0,0]=4 5924 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_200025704644_100000187853 [1,1,0,0,0,0|2,0,0]=4 5925 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_100000211606_200025704644 [1,1,0,0,0,0|2,0,0]=4 5926 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_200025704644_100000211606 [1,1,0,0,0,0|2,0,0]=4 5927 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_100000709361_200025704644 [1,1,0,0,0,0|2,0,0]=4 5928 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_200025704644_100000709361 [1,1,0,0,0,0|2,0,0]=4 5929 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_100000748237_200025704644 [1,1,0,0,0,0|2,0,0]=4 5930 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_200025704644_100000748237 [1,1,0,0,0,0|2,0,0]=4 5931 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_100010244991_200025704644 [1,1,0,0,0,0|2,0,0]=4 5932 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_200025704644_100010244991 [1,1,0,0,0,0|2,0,0]=4 5933 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_100010146615_200025704644 [1,1,0,0,0,0|2,0,0]=4 5934 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_200025704644_100010146615 [1,1,0,0,0,0|2,0,0]=4 5935 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_100010254388_200025704644 [1,1,0,0,0,0|2,0,0]=4 5936 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_200025704644_100010254388 [1,1,0,0,0,0|2,0,0]=4 5937 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_100012354799_200025704644 [1,1,0,0,0,0|2,0,0]=4 5938 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_200025704644_100012354799 [1,1,0,0,0,0|2,0,0]=4 5939 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [1,1,0,0,0,0|0,0,2]=4 5940 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,1,0,0,0,0|0,0,2]=4 5941 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,1,0,0,0,0|0,0,2]=4 5942 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|0,0,2]=4 5943 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [1,1,0,0,0,0|0,0,2]=4 5944 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,1,0,0,0,0|0,0,2]=4 5945 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [1,1,0,0,0,0|0,0,2]=4 5946 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,1,0,0,0,0|0,0,2]=4 5947 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [1,1,0,0,0,0|0,0,2]=4 5948 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,1,0,0,0,0|0,0,2]=4 5949 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|0,0,2]=4 5950 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|0,0,2]=4 5951 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,1,0,0,0,0|0,0,0]=2 5952 B11R1.192 CCNc1cc(c(cn1)C)F 27a_100015525214_100009841206 [1,1,0,0,0,0|2,0,0]=4 5953 B11R1.192 CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210202 [1,1,0,0,0,0|2,0,0]=4 5954 B11R1.192 CCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210202 [1,1,0,0,0,0|2,0,0]=4 5955 B11R1.192 CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210202 [1,1,0,0,0,0|2,0,0]=4 5956 B11R1.192 CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210202 [1,1,0,0,0,0|1,0,0]=3 5957 B11R1.192 CCNc1ccc(c(c1)Br)C 34a_100000736455_100000210202 [1,1,0,0,0,0|1,0,0]=3 5958 B11R1.192 CCNc1ccc(c(c1)Br)C 7a_100000736455_100000210202 [1,1,0,0,0,0|1,0,0]=3 5959 B11R1.192 CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210202 [1,1,0,0,0,0|2,0,0]=4 5960 B11R1.192 CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210202 [1,1,0,0,0,0|2,0,0]=4 5961 B11R1.192 CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210202 [1,1,0,0,0,0|2,0,0]=4 5962 B11R1.192 CCNc1ccc(c(c1)Br)F 34a_100000760356_100000210202 [1,1,0,0,0,0|2,0,0]=4 5963 B11R1.192 CCNc1ccc(c(c1)Br)F 7a_100000760356_100000210202 [1,1,0,0,0,0|2,0,0]=4 5964 B11R1.192 CCNc1ccc(c(c1)Br)I 34a_100000750458_100000210202 [1,1,0,0,0,0|2,0,0]=4 5965 B11R1.192 CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210202 [1,1,0,0,0,0|1,0,0]=3 5966 B11R1.192 CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5967 B11R1.192 CCNc1ccc(c(c1)C)Br 34a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5968 B11R1.192 CCNc1ccc(c(c1)C)Br 7a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5969 B11R1.192 CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210202 [1,1,0,0,0,0|1,0,0]=3 5970 B11R1.192 CCNc1ccc(c(c1)C)C 34a_100000724040_100000210202 [1,1,0,0,0,0|1,0,0]=3 5971 B11R1.192 CCNc1ccc(c(c1)C)C 7a_100000724040_100000210202 [1,1,0,0,0,0|1,0,0]=3 5972 B11R1.192 CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5973 B11R1.192 CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5974 B11R1.192 CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5975 B11R1.192 CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210202 [1,1,0,0,0,0|2,0,0]=4 5976 B11R1.192 CCNc1ccc(c(c1)C)F 34a_100000750164_100000210202 [1,1,0,0,0,0|2,0,0]=4 5977 B11R1.192 CCNc1ccc(c(c1)C)F 7a_100000750164_100000210202 [1,1,0,0,0,0|2,0,0]=4 5978 B11R1.192 CCNc1ccc(c(c1)C)I 34a_100000198070_100000210202 [1,1,0,0,0,0|2,0,0]=4 5979 B11R1.192 CCNc1ccc(c(c1)C)I 7a_100000198070_100000210202 [1,1,0,0,0,0|2,0,0]=4 5980 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,1,0,0,0,0|1,0,0]=3 5981 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 5982 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 5983 B11R1.192 CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210202 [1,1,0,0,0,0|2,0,0]=4 5984 B11R1.192 CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210202 [1,1,0,0,0,0|2,0,0]=4 5985 B11R1.192 CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210202 [1,1,0,0,0,0|2,0,0]=4 5986 B11R1.192 CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210202 [1,1,0,0,0,0|1,0,0]=3 5987 B11R1.192 CCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210202 [1,1,0,0,0,0|1,0,0]=3 5988 B11R1.192 CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210202 [1,1,0,0,0,0|1,0,0]=3 5989 B11R1.192 CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210202 [1,1,0,0,0,0|2,0,0]=4 5990 B11R1.192 CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210202 [1,1,0,0,0,0|2,0,0]=4 5991 B11R1.192 CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210202 [1,1,0,0,0,0|2,0,0]=4 5992 B11R1.192 CCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210202 [1,1,0,0,0,0|2,0,0]=4 5993 B11R1.192 CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210202 [1,1,0,0,0,0|2,0,0]=4 5994 B11R1.192 CCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210202 [1,1,0,0,0,0|2,0,0]=4 5995 B11R1.192 CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210202 [1,1,0,0,0,0|1,0,0]=3 5996 B11R1.192 CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210202 [1,1,0,0,0,0|2,0,0]=4 5997 B11R1.192 CCNc1ccc(c(c1)F)Br 34a_100000759894_100000210202 [1,1,0,0,0,0|2,0,0]=4 5998 B11R1.192 CCNc1ccc(c(c1)F)Br 7a_100000759894_100000210202 [1,1,0,0,0,0|2,0,0]=4 5999 B11R1.192 CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210202 [1,1,0,0,0,0|1,0,0]=3 6000 B11R1.192 CCNc1ccc(c(c1)F)C 34a_100000210958_100000210202 [1,1,0,0,0,0|1,0,0]=3 6001 B11R1.192 CCNc1ccc(c(c1)F)C 7a_100000210958_100000210202 [1,1,0,0,0,0|1,0,0]=3 6002 B11R1.192 CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210202 [1,1,0,0,0,0|2,0,0]=4 6003 B11R1.192 CCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210202 [1,1,0,0,0,0|2,0,0]=4 6004 B11R1.192 CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210202 [1,1,0,0,0,0|2,0,0]=4 6005 B11R1.192 CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210202 [1,1,0,0,0,0|2,0,0]=4 6006 B11R1.192 CCNc1ccc(c(c1)F)F 34a_100000210724_100000210202 [1,1,0,0,0,0|2,0,0]=4 6007 B11R1.192 CCNc1ccc(c(c1)F)F 7a_100000210724_100000210202 [1,1,0,0,0,0|2,0,0]=4 6008 B11R1.192 CCNc1ccc(c(c1)F)I 34a_100011356925_100000210202 [1,1,0,0,0,0|2,0,0]=4 6009 B11R1.192 CCNc1ccc(c(c1)F)I 7a_100011356925_100000210202 [1,1,0,0,0,0|2,0,0]=4 6010 B11R1.192 CCNc1ccc(c(c1)F)O 34a_100011220035_100000210202 [1,1,0,0,0,0|1,0,0]=3 6011 B11R1.192 CCNc1ccc(c(c1)F)O 7a_100011220035_100000210202 [1,1,0,0,0,0|1,0,0]=3 6012 B11R1.192 CCNc1ccc(c(c1)I)Br 34a_100000750459_100000210202 [1,1,0,0,0,0|2,0,0]=4 6013 B11R1.192 CCNc1ccc(c(c1)I)C 34a_100000184131_100000210202 [1,1,0,0,0,0|1,0,0]=3 6014 B11R1.192 CCNc1ccc(c(c1)I)C 7a_100000184131_100000210202 [1,1,0,0,0,0|1,0,0]=3 6015 B11R1.192 CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210202 [1,1,0,0,0,0|2,0,0]=4 6016 B11R1.192 CCNc1ccc(c(c1)I)F 34a_114828291077_100000210202 [1,1,0,0,0,0|2,0,0]=4 6017 B11R1.192 CCNc1ccc(c(c1)I)F 7a_114828291077_100000210202 [1,1,0,0,0,0|2,0,0]=4 6018 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [1,1,0,0,0,0|1,0,0]=3 6019 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [1,1,0,0,0,0|1,0,0]=3 6020 B11R1.192 CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210202 [1,1,0,0,0,0|2,0,0]=4 6021 B11R1.192 CCNc1ccc(c(c1)O)F 34a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 6022 B11R1.192 CCNc1ccc(c(c1)O)F 7a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 6023 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|1,0,0]=3 6024 B11R1.192 CCNc1ccn(c(=O)c1)C 27a_100015525214_100009820031 [1,1,0,0,0,0|2,0,0]=4 6025 B11R1.192 CCOc1cc(c(cn1)C)Br 34a_100009831917_100000210202 [1,1,0,0,0,0|2,0,0]=4 6026 B11R1.192 CCOc1cc(c(cn1)O)C 271570a_203496583355_200012351029 [1,1,0,0,0,0|2,0,0]=4 6027 B11R1.192 CCOc1ccc(c(c1)Br)C 34a_100011380479_100000210202 [1,1,0,0,0,0|1,0,0]=3 6028 B11R1.192 CCOc1ccc(c(c1)Br)C 7a_100011380479_100000210202 [1,1,0,0,0,0|1,0,0]=3 6029 B11R1.192 CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210202 [1,1,0,0,0,0|2,0,0]=4 6030 B11R1.192 CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210202 [1,1,0,0,0,0|2,0,0]=4 6031 B11R1.192 CCOc1ccc(c(c1)Br)F 34a_100000693481_100000210202 [1,1,0,0,0,0|2,0,0]=4 6032 B11R1.192 CCOc1ccc(c(c1)Br)F 7a_100000693481_100000210202 [1,1,0,0,0,0|2,0,0]=4 6033 B11R1.192 CCOc1ccc(c(c1)Br)I 34a_100000701344_100000210202 [1,1,0,0,0,0|2,0,0]=4 6034 B11R1.192 CCOc1ccc(c(c1)Br)I 7a_100000701344_100000210202 [1,1,0,0,0,0|2,0,0]=4 6035 B11R1.192 CCOc1ccc(c(c1)Br)N 34a_100012001276_100000210202 [1,1,0,0,0,0|2,0,0]=4 6036 B11R1.192 CCOc1ccc(c(c1)Br)N 7a_100012001276_100000210202 [1,1,0,0,0,0|2,0,0]=4 6037 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,1,0,0,0,0|2,0,0]=4 6038 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,1,0,0,0,0|2,0,0]=4 6039 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,1,0,0,0,0|1,0,0]=3 6040 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,1,0,0,0,0|1,0,0]=3 6041 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,1,0,0,0,0|2,0,0]=4 6042 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,1,0,0,0,0|2,0,0]=4 6043 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,1,0,0,0,0|2,0,0]=4 6044 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,1,0,0,0,0|2,0,0]=4 6045 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,1,0,0,0,0|2,0,0]=4 6046 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,1,0,0,0,0|2,0,0]=4 6047 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 6048 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 6049 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,1,0,0,0,0|1,0,0]=3 6050 B11R1.192 CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210202 [1,1,0,0,0,0|2,0,0]=4 6051 B11R1.192 CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210202 [1,1,0,0,0,0|2,0,0]=4 6052 B11R1.192 CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210202 [1,1,0,0,0,0|1,0,0]=3 6053 B11R1.192 CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210202 [1,1,0,0,0,0|1,0,0]=3 6054 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210202 [1,1,0,0,0,0|2,0,0]=4 6055 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210202 [1,1,0,0,0,0|2,0,0]=4 6056 B11R1.192 CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210202 [1,1,0,0,0,0|2,0,0]=4 6057 B11R1.192 CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210202 [1,1,0,0,0,0|2,0,0]=4 6058 B11R1.192 CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210202 [1,1,0,0,0,0|2,0,0]=4 6059 B11R1.192 CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210202 [1,1,0,0,0,0|2,0,0]=4 6060 B11R1.192 CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210202 [1,1,0,0,0,0|2,0,0]=4 6061 B11R1.192 CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210202 [1,1,0,0,0,0|2,0,0]=4 6062 B11R1.192 CCOc1ccc(c(c1)F)Br 34a_100000755031_100000210202 [1,1,0,0,0,0|2,0,0]=4 6063 B11R1.192 CCOc1ccc(c(c1)F)Br 7a_100000755031_100000210202 [1,1,0,0,0,0|2,0,0]=4 6064 B11R1.192 CCOc1ccc(c(c1)F)C 34a_100000722560_100000210202 [1,1,0,0,0,0|1,0,0]=3 6065 B11R1.192 CCOc1ccc(c(c1)F)C 7a_100000722560_100000210202 [1,1,0,0,0,0|1,0,0]=3 6066 B11R1.192 CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210202 [1,1,0,0,0,0|2,0,0]=4 6067 B11R1.192 CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210202 [1,1,0,0,0,0|2,0,0]=4 6068 B11R1.192 CCOc1ccc(c(c1)F)F 34a_100000181275_100000210202 [1,1,0,0,0,0|2,0,0]=4 6069 B11R1.192 CCOc1ccc(c(c1)F)F 7a_100000181275_100000210202 [1,1,0,0,0,0|2,0,0]=4 6070 B11R1.192 CCOc1ccc(c(c1)F)I 34a_100009990212_100000210202 [1,1,0,0,0,0|2,0,0]=4 6071 B11R1.192 CCOc1ccc(c(c1)F)I 7a_100009990212_100000210202 [1,1,0,0,0,0|2,0,0]=4 6072 B11R1.192 CCOc1ccc(c(c1)F)N 34a_100000759473_100000210202 [1,1,0,0,0,0|2,0,0]=4 6073 B11R1.192 CCOc1ccc(c(c1)F)N 7a_100000759473_100000210202 [1,1,0,0,0,0|2,0,0]=4 6074 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [1,1,0,0,0,0|1,0,0]=3 6075 B11R1.192 CCOc1ccc(c(c1)I)Br 34a_100012339312_100000210202 [1,1,0,0,0,0|2,0,0]=4 6076 B11R1.192 CCOc1ccc(c(c1)I)Br 7a_100012339312_100000210202 [1,1,0,0,0,0|2,0,0]=4 6077 B11R1.192 CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210202 [1,1,0,0,0,0|2,0,0]=4 6078 B11R1.192 CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210202 [1,1,0,0,0,0|2,0,0]=4 6079 B11R1.192 CCOc1ccc(c(c1)I)N 34a_100010084370_100000210202 [1,1,0,0,0,0|2,0,0]=4 6080 B11R1.192 CCOc1ccc(c(c1)I)N 7a_100010084370_100000210202 [1,1,0,0,0,0|2,0,0]=4 6081 B11R1.192 CCOc1ccc(c(c1)N)Br 34a_100011999798_100000210202 [1,1,0,0,0,0|2,0,0]=4 6082 B11R1.192 CCOc1ccc(c(c1)N)Br 7a_100011999798_100000210202 [1,1,0,0,0,0|2,0,0]=4 6083 B11R1.192 CCOc1ccc(c(c1)N)C 34a_100011216113_100000210202 [1,1,0,0,0,0|1,0,0]=3 6084 B11R1.192 CCOc1ccc(c(c1)N)C 7a_100011216113_100000210202 [1,1,0,0,0,0|1,0,0]=3 6085 B11R1.192 CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210202 [1,1,0,0,0,0|2,0,0]=4 6086 B11R1.192 CCOc1ccc(c(c1)N)F 34a_100012017239_100000210202 [1,1,0,0,0,0|2,0,0]=4 6087 B11R1.192 CCOc1ccc(c(c1)N)F 7a_100012017239_100000210202 [1,1,0,0,0,0|2,0,0]=4 6088 B11R1.192 CCOc1ccc(c(c1)N)N 34a_100025771000_100000210202 [1,1,0,0,0,0|2,0,0]=4 6089 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [1,1,0,0,0,0|1,0,0]=3 6090 B11R1.192 CCOc1cnc(c(c1)Br)C 34a_100009819603_100000210202 [1,1,0,0,0,0|2,0,0]=4 6091 B11R1.192 CCOc1cnc(c(c1)Br)C 7a_100009819603_100000210202 [1,1,0,0,0,0|2,0,0]=4 6092 B11R1.192 CCOc1cnc(c(c1)C)C 34a_100009854398_100000210202 [1,1,0,0,0,0|2,0,0]=4 6093 B11R1.192 CCOc1cnc(c(c1)C)C 7a_100009854398_100000210202 [1,1,0,0,0,0|2,0,0]=4 6094 B11R1.192 CCSc1cc(c(cn1)C)C 62a_100000210202_100009850809 [1,1,0,0,0,0|2,0,0]=4 6095 B11R1.192 CCSc1cc(c(cn1)C)C 62a_100009850809_100000210202 [1,1,0,0,0,0|2,0,0]=4 6096 B11R1.192 CCSc1cc(c(cn1)C)F 62a_100000210202_100009841206 [1,1,0,0,0,0|2,0,0]=4 6097 B11R1.192 CCSc1cc(c(cn1)C)F 62a_100009841206_100000210202 [1,1,0,0,0,0|2,0,0]=4 6098 B11R1.192 CCSc1cc(c(cn1)C)N 62a_100000126663_100000210202 [1,1,0,0,0,0|2,0,0]=4 6099 B11R1.192 CCSc1cc(c(cn1)C)N 62a_100000210202_100000126663 [1,1,0,0,0,0|2,0,0]=4 6100 B11R1.192 CCSc1cc(c(cn1)C)O 62a_100000210202_100000704368 [1,1,0,0,0,0|2,0,0]=4 6101 B11R1.192 CCSc1cc(c(cn1)C)O 62a_100000704368_100000210202 [1,1,0,0,0,0|2,0,0]=4 6102 B11R1.192 CCSc1cc(c(cn1)O)C 62a_100000210202_100000692680 [1,1,0,0,0,0|2,0,0]=4 6103 B11R1.192 CCSc1cc(c(cn1)O)N 62a_100000210202_100009819941 [1,1,0,0,0,0|2,0,0]=4 6104 B11R1.192 CCSc1cc(c(cn1)O)N 62a_100009819941_100000210202 [1,1,0,0,0,0|2,0,0]=4 6105 B11R1.192 CCSc1ccc([n+](c1)[O-])C 62a_100000210202_100000703231 [1,1,0,0,0,0|2,0,0]=4 6106 B11R1.192 CCSc1ccc(c(c1)Br)Br 62a_100000210202_100012356285 [1,1,0,0,0,0|2,0,0]=4 6107 B11R1.192 CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210202 [1,1,0,0,0,0|2,0,0]=4 6108 B11R1.192 CCSc1ccc(c(c1)Br)C 62a_100000210202_100011847877 [1,1,0,0,0,0|1,0,0]=3 6109 B11R1.192 CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210202 [1,1,0,0,0,0|1,0,0]=3 6110 B11R1.192 CCSc1ccc(c(c1)Br)Cl 62a_100000210202_100012353702 [1,1,0,0,0,0|2,0,0]=4 6111 B11R1.192 CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210202 [1,1,0,0,0,0|2,0,0]=4 6112 B11R1.192 CCSc1ccc(c(c1)Br)F 62a_100000210202_100012047266 [1,1,0,0,0,0|2,0,0]=4 6113 B11R1.192 CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210202 [1,1,0,0,0,0|2,0,0]=4 6114 B11R1.192 CCSc1ccc(c(c1)Br)N 62a_100000210202_100000750455 [1,1,0,0,0,0|2,0,0]=4 6115 B11R1.192 CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210202 [1,1,0,0,0,0|2,0,0]=4 6116 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100000210202_100012361655 [1,1,0,0,0,0|1,0,0]=3 6117 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210202 [1,1,0,0,0,0|1,0,0]=3 6118 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100000210202_100009813585 [1,1,0,0,0,0|2,0,0]=4 6119 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210202 [1,1,0,0,0,0|2,0,0]=4 6120 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100000210202_100011215607 [1,1,0,0,0,0|1,0,0]=3 6121 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100011215607_100000210202 [1,1,0,0,0,0|1,0,0]=3 6122 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210202 [1,1,0,0,0,0|2,0,0]=4 6123 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000210202_100000049509 [1,1,0,0,0,0|2,0,0]=4 6124 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100000210202_100011218330 [1,1,0,0,0,0|2,0,0]=4 6125 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100011218330_100000210202 [1,1,0,0,0,0|2,0,0]=4 6126 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000210202_100000211769 [1,1,0,0,0,0|2,0,0]=4 6127 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 6128 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,1,0,0,0,0|1,0,0]=3 6129 B11R1.192 CCSc1ccc(c(c1)Cl)Br 62a_100000210202_100012047281 [1,1,0,0,0,0|2,0,0]=4 6130 B11R1.192 CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210202 [1,1,0,0,0,0|2,0,0]=4 6131 B11R1.192 CCSc1ccc(c(c1)Cl)C 62a_100000210202_100011216363 [1,1,0,0,0,0|1,0,0]=3 6132 B11R1.192 CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210202 [1,1,0,0,0,0|1,0,0]=3 6133 B11R1.192 CCSc1ccc(c(c1)Cl)Cl 62a_100000210202_100011214914 [1,1,0,0,0,0|2,0,0]=4 6134 B11R1.192 CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210202 [1,1,0,0,0,0|2,0,0]=4 6135 B11R1.192 CCSc1ccc(c(c1)Cl)F 62a_100000210202_100011215976 [1,1,0,0,0,0|2,0,0]=4 6136 B11R1.192 CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210202 [1,1,0,0,0,0|2,0,0]=4 6137 B11R1.192 CCSc1ccc(c(c1)Cl)N 62a_100000210202_100011218065 [1,1,0,0,0,0|2,0,0]=4 6138 B11R1.192 CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210202 [1,1,0,0,0,0|2,0,0]=4 6139 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100000210202_100012360047 [1,1,0,0,0,0|1,0,0]=3 6140 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210202 [1,1,0,0,0,0|1,0,0]=3 6141 B11R1.192 CCSc1ccc(c(c1)F)Br 62a_100000210202_100000685389 [1,1,0,0,0,0|2,0,0]=4 6142 B11R1.192 CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210202 [1,1,0,0,0,0|2,0,0]=4 6143 B11R1.192 CCSc1ccc(c(c1)F)C 62a_100000210202_100000720648 [1,1,0,0,0,0|1,0,0]=3 6144 B11R1.192 CCSc1ccc(c(c1)F)C 62a_100000720648_100000210202 [1,1,0,0,0,0|1,0,0]=3 6145 B11R1.192 CCSc1ccc(c(c1)F)Cl 62a_100000210202_100011216805 [1,1,0,0,0,0|2,0,0]=4 6146 B11R1.192 CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210202 [1,1,0,0,0,0|2,0,0]=4 6147 B11R1.192 CCSc1ccc(c(c1)F)F 62a_100000210202_100000703953 [1,1,0,0,0,0|2,0,0]=4 6148 B11R1.192 CCSc1ccc(c(c1)F)F 62a_100000703953_100000210202 [1,1,0,0,0,0|2,0,0]=4 6149 B11R1.192 CCSc1ccc(c(c1)F)N 62a_100000210202_100011215594 [1,1,0,0,0,0|2,0,0]=4 6150 B11R1.192 CCSc1ccc(c(c1)F)N 62a_100011215594_100000210202 [1,1,0,0,0,0|2,0,0]=4 6151 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000185481_100000210202 [1,1,0,0,0,0|1,0,0]=3 6152 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000210202_100000185481 [1,1,0,0,0,0|1,0,0]=3 6153 B11R1.192 CCSc1ccc(c(c1)N)Br 62a_100000210202_100000750456 [1,1,0,0,0,0|2,0,0]=4 6154 B11R1.192 CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210202 [1,1,0,0,0,0|2,0,0]=4 6155 B11R1.192 CCSc1ccc(c(c1)N)C 62a_100000210202_100000761890 [1,1,0,0,0,0|1,0,0]=3 6156 B11R1.192 CCSc1ccc(c(c1)N)C 62a_100000761890_100000210202 [1,1,0,0,0,0|1,0,0]=3 6157 B11R1.192 CCSc1ccc(c(c1)N)Cl 62a_100000210202_200000761891 [1,1,0,0,0,0|2,0,0]=4 6158 B11R1.192 CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210202 [1,1,0,0,0,0|2,0,0]=4 6159 B11R1.192 CCSc1ccc(c(c1)N)F 62a_100000210202_100000740924 [1,1,0,0,0,0|2,0,0]=4 6160 B11R1.192 CCSc1ccc(c(c1)N)F 62a_100000740924_100000210202 [1,1,0,0,0,0|2,0,0]=4 6161 B11R1.192 CCSc1ccc(c(c1)N)N 62a_100000210202_100011534411 [1,1,0,0,0,0|2,0,0]=4 6162 B11R1.192 CCSc1ccc(c(c1)N)N 62a_100000741789_100000210202 [1,1,0,0,0,0|2,0,0]=4 6163 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000210202_100000752626 [1,1,0,0,0,0|1,0,0]=3 6164 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000752626_100000210202 [1,1,0,0,0,0|1,0,0]=3 6165 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100000210202_100012356990 [1,1,0,0,0,0|2,0,0]=4 6166 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 6167 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [1,1,0,0,0,0|1,0,0]=3 6168 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [1,1,0,0,0,0|1,0,0]=3 6169 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100000210202_100011356854 [1,1,0,0,0,0|2,0,0]=4 6170 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 6171 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000210202_100000686035 [1,1,0,0,0,0|2,0,0]=4 6172 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 6173 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000210202_100000739049 [1,1,0,0,0,0|2,0,0]=4 6174 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 6175 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|1,0,0]=3 6176 B11R1.192 CCSc1ccc(c(n1)Br)O 62a_100000210202_100000725334 [1,1,0,0,0,0|2,0,0]=4 6177 B11R1.192 CCSc1ccc(c(n1)Br)O 62a_100000725334_100000210202 [1,1,0,0,0,0|2,0,0]=4 6178 B11R1.192 CCSc1ccc(c(n1)C)C 62a_100000103781_100000210202 [1,1,0,0,0,0|2,0,0]=4 6179 B11R1.192 CCSc1ccc(c(n1)C)C 62a_100000210202_100000103781 [1,1,0,0,0,0|2,0,0]=4 6180 B11R1.192 CCSc1ccc(c(n1)C)O 62a_100000210202_100010233687 [1,1,0,0,0,0|2,0,0]=4 6181 B11R1.192 CCSc1ccc(c(n1)C)O 62a_100010233687_100000210202 [1,1,0,0,0,0|2,0,0]=4 6182 B11R1.192 CCSc1ccc(c(n1)Cl)O 62a_100000210202_100000721234 [1,1,0,0,0,0|2,0,0]=4 6183 B11R1.192 CCSc1ccc(c(n1)F)O 62a_100000210202_100009819667 [1,1,0,0,0,0|2,0,0]=4 6184 B11R1.192 CCSc1ccc(c(n1)F)O 62a_100009819667_100000210202 [1,1,0,0,0,0|2,0,0]=4 6185 B11R1.192 CCSc1ccc(c(n1)N)C 62a_100000210202_100009857032 [1,1,0,0,0,0|2,0,0]=4 6186 B11R1.192 CCSc1ccc(c(n1)N)C 62a_100009857032_100000210202 [1,1,0,0,0,0|2,0,0]=4 6187 B11R1.192 CCSc1ccc(c(n1)N)O 62a_100000210202_100000685527 [1,1,0,0,0,0|2,0,0]=4 6188 B11R1.192 CCSc1ccc(c(n1)N)O 62a_100000685527_100000210202 [1,1,0,0,0,0|2,0,0]=4 6189 B11R1.192 CCSc1ccn(c(=O)c1)C 62a_100000210202_100009820031 [1,1,0,0,0,0|2,0,0]=4 6190 B11R1.192 CCSc1ccn(c(=O)c1)C 62a_100009820031_100000210202 [1,1,0,0,0,0|2,0,0]=4 6191 B11R1.192 CCSc1cnc(c(c1)C)C 62a_100000210202_100000697892 [1,1,0,0,0,0|2,0,0]=4 6192 B11R1.192 CCSc1cnc(c(c1)C)C 62a_100000697892_100000210202 [1,1,0,0,0,0|2,0,0]=4 6193 B11R1.192 CCSc1cnc(c(c1)C)O 62a_100000210202_100000685391 [1,1,0,0,0,0|2,0,0]=4 6194 B11R1.192 CCSc1cnc(c(c1)C)O 62a_100000685391_100000210202 [1,1,0,0,0,0|2,0,0]=4 6195 B11R1.192 CCSc1cnc(c(c1)Cl)O 62a_100000210202_100010238531 [1,1,0,0,0,0|2,0,0]=4 6196 B11R1.192 CCSc1cnc(c(c1)Cl)O 62a_100010238531_100000210202 [1,1,0,0,0,0|2,0,0]=4 6197 B11R1.192 CCSc1cnc(c(c1)F)C 62a_100000210202_100009845756 [1,1,0,0,0,0|2,0,0]=4 6198 B11R1.192 CCSc1cnc(c(c1)F)C 62a_100009845756_100000210202 [1,1,0,0,0,0|2,0,0]=4 6199 B11R1.192 CCSc1cnc(c(c1)N)C 62a_100000210202_100011999542 [1,1,0,0,0,0|2,0,0]=4 6200 B11R1.192 CCSc1cnc(c(c1)N)C 62a_100011999542_100000210202 [1,1,0,0,0,0|2,0,0]=4 6201 B11R1.192 CCSc1cnc(c(c1)N)O 62a_100000210202_100000743729 [1,1,0,0,0,0|2,0,0]=4 6202 B11R1.192 CCSc1cnc(c(c1)N)O 62a_100000743729_100000210202 [1,1,0,0,0,0|2,0,0]=4 6203 B11R1.192 CCSc1cnc(c(c1)O)C 62a_100000210202_100009864810 [1,1,0,0,0,0|2,0,0]=4 6204 B11R1.192 CCSc1cnc(c(c1)O)C 62a_100009864810_100000210202 [1,1,0,0,0,0|2,0,0]=4 6205 B11R1.192 CNCc1cc(=O)c(co1)O 2230a_106832991635_100000010605 [1,1,0,0,0,0|2,0,0]=4 6206 B11R1.192 CNCc1cc(=O)c(co1)O 7a_106832991635_100000010605 [1,1,0,0,0,0|2,0,0]=4 6207 B11R1.192 CNCc1cc(c(cn1)C)Br 207a_100102657272_100010174032 [1,1,0,0,0,0|2,0,0]=4 6208 B11R1.192 CNCc1cc(c(cn1)C)Br 270004a_106832991635_100010174032 [1,1,0,0,0,0|2,0,0]=4 6209 B11R1.192 CNCc1ccc(c(c1)Br)Br 207a_100102657272_100011215943 [1,1,0,0,0,0|2,0,0]=4 6210 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_100012351559_200000210301 [1,1,0,0,0,0|2,0,0]=4 6211 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_106832991635_100012353900 [1,1,0,0,0,0|2,0,0]=4 6212 B11R1.192 CNCc1ccc(c(c1)Br)Br 270004a_106832991635_100011215943 [1,1,0,0,0,0|2,0,0]=4 6213 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100012351559_200000210301 [1,1,0,0,0,0|2,0,0]=4 6214 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100102657272_100012353900 [1,1,0,0,0,0|2,0,0]=4 6215 B11R1.192 CNCc1ccc(c(c1)Br)Br 7a_106832991635_100012353900 [1,1,0,0,0,0|2,0,0]=4 6216 B11R1.192 CNCc1ccc(c(c1)Br)C 207a_100102657272_100000695567 [1,1,0,0,0,0|1,0,0]=3 6217 B11R1.192 CNCc1ccc(c(c1)Br)C 2230a_106832991635_100012232412 [1,1,0,0,0,0|1,0,0]=3 6218 B11R1.192 CNCc1ccc(c(c1)Br)C 26a_100102657272_100011380479 [1,1,0,0,0,0|1,0,0]=3 6219 B11R1.192 CNCc1ccc(c(c1)Br)C 270004a_106832991635_100000695567 [1,1,0,0,0,0|1,0,0]=3 6220 B11R1.192 CNCc1ccc(c(c1)Br)C 34a_100102657272_100012232412 [1,1,0,0,0,0|1,0,0]=3 6221 B11R1.192 CNCc1ccc(c(c1)Br)C 7a_106832991635_100012232412 [1,1,0,0,0,0|1,0,0]=3 6222 B11R1.192 CNCc1ccc(c(c1)Br)Cl 207a_100102657272_100000693810 [1,1,0,0,0,0|2,0,0]=4 6223 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_200000210301 [1,1,0,0,0,0|2,0,0]=4 6224 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_106832991635_100012353894 [1,1,0,0,0,0|2,0,0]=4 6225 B11R1.192 CNCc1ccc(c(c1)Br)Cl 26a_100102657272_100011933957 [1,1,0,0,0,0|2,0,0]=4 6226 B11R1.192 CNCc1ccc(c(c1)Br)Cl 270004a_106832991635_100000693810 [1,1,0,0,0,0|2,0,0]=4 6227 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100012349490_200000210301 [1,1,0,0,0,0|2,0,0]=4 6228 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100102657272_100012353894 [1,1,0,0,0,0|2,0,0]=4 6229 B11R1.192 CNCc1ccc(c(c1)Br)Cl 7a_106832991635_100012353894 [1,1,0,0,0,0|2,0,0]=4 6230 B11R1.192 CNCc1ccc(c(c1)Br)F 207a_100102657272_100000211747 [1,1,0,0,0,0|2,0,0]=4 6231 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_100015193890_200000210301 [1,1,0,0,0,0|2,0,0]=4 6232 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_106832991635_100011206884 [1,1,0,0,0,0|2,0,0]=4 6233 B11R1.192 CNCc1ccc(c(c1)Br)F 26a_100102657272_100000693481 [1,1,0,0,0,0|2,0,0]=4 6234 B11R1.192 CNCc1ccc(c(c1)Br)F 270004a_106832991635_100000211747 [1,1,0,0,0,0|2,0,0]=4 6235 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100015193890_200000210301 [1,1,0,0,0,0|2,0,0]=4 6236 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100102657272_100011206884 [1,1,0,0,0,0|2,0,0]=4 6237 B11R1.192 CNCc1ccc(c(c1)Br)F 7a_106832991635_100011206884 [1,1,0,0,0,0|2,0,0]=4 6238 B11R1.192 CNCc1ccc(c(c1)Br)I 26a_100102657272_100000701344 [1,1,0,0,0,0|2,0,0]=4 6239 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [1,1,0,0,0,0|2,0,0]=4 6240 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 6241 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [1,1,0,0,0,0|2,0,0]=4 6242 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [1,1,0,0,0,0|2,0,0]=4 6243 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [1,1,0,0,0,0|2,0,0]=4 6244 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 6245 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [1,1,0,0,0,0|2,0,0]=4 6246 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [1,1,0,0,0,0|2,0,0]=4 6247 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,1,0,0,0,0|1,0,0]=3 6248 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,1,0,0,0,0|1,0,0]=3 6249 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,1,0,0,0,0|1,0,0]=3 6250 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,1,0,0,0,0|1,0,0]=3 6251 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,1,0,0,0,0|1,0,0]=3 6252 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,1,0,0,0,0|1,0,0]=3 6253 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,1,0,0,0,0|1,0,0]=3 6254 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [1,1,0,0,0,0|2,0,0]=4 6255 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [1,1,0,0,0,0|2,0,0]=4 6256 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [1,1,0,0,0,0|2,0,0]=4 6257 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [1,1,0,0,0,0|2,0,0]=4 6258 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [1,1,0,0,0,0|2,0,0]=4 6259 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [1,1,0,0,0,0|2,0,0]=4 6260 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [1,1,0,0,0,0|2,0,0]=4 6261 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [1,1,0,0,0,0|2,0,0]=4 6262 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [1,1,0,0,0,0|2,0,0]=4 6263 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [1,1,0,0,0,0|2,0,0]=4 6264 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [1,1,0,0,0,0|2,0,0]=4 6265 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [1,1,0,0,0,0|2,0,0]=4 6266 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [1,1,0,0,0,0|2,0,0]=4 6267 B11R1.192 CNCc1ccc(c(c1)Cl)Br 207a_100102657272_100000690054 [1,1,0,0,0,0|2,0,0]=4 6268 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_200000210301 [1,1,0,0,0,0|2,0,0]=4 6269 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_106832991635_100012353895 [1,1,0,0,0,0|2,0,0]=4 6270 B11R1.192 CNCc1ccc(c(c1)Cl)Br 26a_100102657272_100011215161 [1,1,0,0,0,0|2,0,0]=4 6271 B11R1.192 CNCc1ccc(c(c1)Cl)Br 270004a_106832991635_100000690054 [1,1,0,0,0,0|2,0,0]=4 6272 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100012362553_200000210301 [1,1,0,0,0,0|2,0,0]=4 6273 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100102657272_100012353895 [1,1,0,0,0,0|2,0,0]=4 6274 B11R1.192 CNCc1ccc(c(c1)Cl)Br 7a_106832991635_100012353895 [1,1,0,0,0,0|2,0,0]=4 6275 B11R1.192 CNCc1ccc(c(c1)Cl)C 207a_100102657272_100000760539 [1,1,0,0,0,0|1,0,0]=3 6276 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_102495364989_200000210301 [1,1,0,0,0,0|1,0,0]=3 6277 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_106832991635_100011823929 [1,1,0,0,0,0|1,0,0]=3 6278 B11R1.192 CNCc1ccc(c(c1)Cl)C 26a_100102657272_100011265682 [1,1,0,0,0,0|1,0,0]=3 6279 B11R1.192 CNCc1ccc(c(c1)Cl)C 270004a_106832991635_100000760539 [1,1,0,0,0,0|1,0,0]=3 6280 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_100102657272_100011823929 [1,1,0,0,0,0|1,0,0]=3 6281 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_102495364989_200000210301 [1,1,0,0,0,0|1,0,0]=3 6282 B11R1.192 CNCc1ccc(c(c1)Cl)C 7a_106832991635_100011823929 [1,1,0,0,0,0|1,0,0]=3 6283 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 207a_100102657272_100000188533 [1,1,0,0,0,0|2,0,0]=4 6284 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200000210301 [1,1,0,0,0,0|2,0,0]=4 6285 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100000184707 [1,1,0,0,0,0|2,0,0]=4 6286 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 26a_100102657272_100000211054 [1,1,0,0,0,0|2,0,0]=4 6287 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 270004a_106832991635_100000188533 [1,1,0,0,0,0|2,0,0]=4 6288 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_200000210301 [1,1,0,0,0,0|2,0,0]=4 6289 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100102657272_100000184707 [1,1,0,0,0,0|2,0,0]=4 6290 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 7a_106832991635_100000184707 [1,1,0,0,0,0|2,0,0]=4 6291 B11R1.192 CNCc1ccc(c(c1)Cl)F 207a_100102657272_100000742290 [1,1,0,0,0,0|2,0,0]=4 6292 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_100000749334_200000210301 [1,1,0,0,0,0|2,0,0]=4 6293 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_106832991635_100000717365 [1,1,0,0,0,0|2,0,0]=4 6294 B11R1.192 CNCc1ccc(c(c1)Cl)F 26a_100102657272_100000211030 [1,1,0,0,0,0|2,0,0]=4 6295 B11R1.192 CNCc1ccc(c(c1)Cl)F 270004a_106832991635_100000742290 [1,1,0,0,0,0|2,0,0]=4 6296 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100000749334_200000210301 [1,1,0,0,0,0|2,0,0]=4 6297 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100102657272_100011934319 [1,1,0,0,0,0|2,0,0]=4 6298 B11R1.192 CNCc1ccc(c(c1)Cl)F 7a_106832991635_100000717365 [1,1,0,0,0,0|2,0,0]=4 6299 B11R1.192 CNCc1ccc(c(c1)Cl)I 2230a_106832991635_100012349665 [1,1,0,0,0,0|2,0,0]=4 6300 B11R1.192 CNCc1ccc(c(c1)Cl)I 26a_100102657272_100000047559 [1,1,0,0,0,0|2,0,0]=4 6301 B11R1.192 CNCc1ccc(c(c1)Cl)I 34a_100102657272_100012349665 [1,1,0,0,0,0|2,0,0]=4 6302 B11R1.192 CNCc1ccc(c(c1)Cl)I 7a_106832991635_100012349665 [1,1,0,0,0,0|2,0,0]=4 6303 B11R1.192 CNCc1ccc(c(c1)F)Br 207a_100102657272_100000686674 [1,1,0,0,0,0|2,0,0]=4 6304 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_100000755036_200000210301 [1,1,0,0,0,0|2,0,0]=4 6305 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_106832991635_100000767054 [1,1,0,0,0,0|2,0,0]=4 6306 B11R1.192 CNCc1ccc(c(c1)F)Br 26a_100102657272_100000755031 [1,1,0,0,0,0|2,0,0]=4 6307 B11R1.192 CNCc1ccc(c(c1)F)Br 270004a_106832991635_100000686674 [1,1,0,0,0,0|2,0,0]=4 6308 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100000755036_200000210301 [1,1,0,0,0,0|2,0,0]=4 6309 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100102657272_100000767054 [1,1,0,0,0,0|2,0,0]=4 6310 B11R1.192 CNCc1ccc(c(c1)F)Br 7a_106832991635_100000767054 [1,1,0,0,0,0|2,0,0]=4 6311 B11R1.192 CNCc1ccc(c(c1)F)C 207a_100102657272_100000753222 [1,1,0,0,0,0|1,0,0]=3 6312 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_100102708794_200000210301 [1,1,0,0,0,0|1,0,0]=3 6313 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_106832991635_100011217369 [1,1,0,0,0,0|1,0,0]=3 6314 B11R1.192 CNCc1ccc(c(c1)F)C 270004a_106832991635_100000753222 [1,1,0,0,0,0|1,0,0]=3 6315 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102657272_100011217369 [1,1,0,0,0,0|1,0,0]=3 6316 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102708794_200000210301 [1,1,0,0,0,0|1,0,0]=3 6317 B11R1.192 CNCc1ccc(c(c1)F)C 7a_106832991635_100011217369 [1,1,0,0,0,0|1,0,0]=3 6318 B11R1.192 CNCc1ccc(c(c1)F)Cl 207a_100102657272_100000745630 [1,1,0,0,0,0|2,0,0]=4 6319 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_100011219866_200000210301 [1,1,0,0,0,0|2,0,0]=4 6320 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_106832991635_100000716492 [1,1,0,0,0,0|2,0,0]=4 6321 B11R1.192 CNCc1ccc(c(c1)F)Cl 26a_100102657272_100000691581 [1,1,0,0,0,0|2,0,0]=4 6322 B11R1.192 CNCc1ccc(c(c1)F)Cl 270004a_106832991635_100000745630 [1,1,0,0,0,0|2,0,0]=4 6323 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100011219866_200000210301 [1,1,0,0,0,0|2,0,0]=4 6324 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100102657272_100011519011 [1,1,0,0,0,0|2,0,0]=4 6325 B11R1.192 CNCc1ccc(c(c1)F)Cl 7a_106832991635_100000716492 [1,1,0,0,0,0|2,0,0]=4 6326 B11R1.192 CNCc1ccc(c(c1)F)F 207a_100102657272_100000211062 [1,1,0,0,0,0|2,0,0]=4 6327 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_100000737897_200000210301 [1,1,0,0,0,0|2,0,0]=4 6328 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_106832991635_100000757363 [1,1,0,0,0,0|2,0,0]=4 6329 B11R1.192 CNCc1ccc(c(c1)F)F 270004a_106832991635_100000211062 [1,1,0,0,0,0|2,0,0]=4 6330 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100000737897_200000210301 [1,1,0,0,0,0|2,0,0]=4 6331 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100102657272_100000757363 [1,1,0,0,0,0|2,0,0]=4 6332 B11R1.192 CNCc1ccc(c(c1)F)F 7a_106832991635_100000757363 [1,1,0,0,0,0|2,0,0]=4 6333 B11R1.192 CNCc1ccc(c(c1)F)I 207a_100102657272_100000050832 [1,1,0,0,0,0|2,0,0]=4 6334 B11R1.192 CNCc1ccc(c(c1)F)I 2230a_106832991635_100010149604 [1,1,0,0,0,0|2,0,0]=4 6335 B11R1.192 CNCc1ccc(c(c1)F)I 270004a_106832991635_100000050832 [1,1,0,0,0,0|2,0,0]=4 6336 B11R1.192 CNCc1ccc(c(c1)F)I 34a_100102657272_100010149604 [1,1,0,0,0,0|2,0,0]=4 6337 B11R1.192 CNCc1ccc(c(c1)F)I 7a_106832991635_100010149604 [1,1,0,0,0,0|2,0,0]=4 6338 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,1,0,0,0,0|1,0,0]=3 6339 B11R1.192 CNCc1ccc(c(c1)I)Br 207a_100102657272_100010146563 [1,1,0,0,0,0|2,0,0]=4 6340 B11R1.192 CNCc1ccc(c(c1)I)Br 2230a_106832991635_100010146616 [1,1,0,0,0,0|2,0,0]=4 6341 B11R1.192 CNCc1ccc(c(c1)I)Br 26a_100102657272_100012339312 [1,1,0,0,0,0|2,0,0]=4 6342 B11R1.192 CNCc1ccc(c(c1)I)Br 270004a_106832991635_100010146563 [1,1,0,0,0,0|2,0,0]=4 6343 B11R1.192 CNCc1ccc(c(c1)I)Br 34a_100102657272_100010146616 [1,1,0,0,0,0|2,0,0]=4 6344 B11R1.192 CNCc1ccc(c(c1)I)Br 7a_106832991635_100010146616 [1,1,0,0,0,0|2,0,0]=4 6345 B11R1.192 CNCc1ccc(c(c1)I)C 207a_100102657272_100010197721 [1,1,0,0,0,0|1,0,0]=3 6346 B11R1.192 CNCc1ccc(c(c1)I)C 2230a_106832991635_100010206137 [1,1,0,0,0,0|1,0,0]=3 6347 B11R1.192 CNCc1ccc(c(c1)I)C 270004a_106832991635_100010197721 [1,1,0,0,0,0|1,0,0]=3 6348 B11R1.192 CNCc1ccc(c(c1)I)C 34a_100102657272_100010206137 [1,1,0,0,0,0|1,0,0]=3 6349 B11R1.192 CNCc1ccc(c(c1)I)C 7a_106832991635_100010206137 [1,1,0,0,0,0|1,0,0]=3 6350 B11R1.192 CNCc1ccc(c(c1)I)Cl 207a_100102657272_100010209939 [1,1,0,0,0,0|2,0,0]=4 6351 B11R1.192 CNCc1ccc(c(c1)I)Cl 26a_100102657272_100000049588 [1,1,0,0,0,0|2,0,0]=4 6352 B11R1.192 CNCc1ccc(c(c1)I)Cl 270004a_106832991635_100010209939 [1,1,0,0,0,0|2,0,0]=4 6353 B11R1.192 CNCc1ccc(c(c1)I)F 207a_100102657272_100010188209 [1,1,0,0,0,0|2,0,0]=4 6354 B11R1.192 CNCc1ccc(c(c1)I)F 2230a_106832991635_100010188208 [1,1,0,0,0,0|2,0,0]=4 6355 B11R1.192 CNCc1ccc(c(c1)I)F 270004a_106832991635_100010188209 [1,1,0,0,0,0|2,0,0]=4 6356 B11R1.192 CNCc1ccc(c(c1)I)F 34a_100102657272_100010188208 [1,1,0,0,0,0|2,0,0]=4 6357 B11R1.192 CNCc1ccc(c(c1)I)F 7a_106832991635_100010188208 [1,1,0,0,0,0|2,0,0]=4 6358 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,1,0,0,0,0|2,0,0]=4 6359 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [1,1,0,0,0,0|2,0,0]=4 6360 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,0]=3 6361 B11R1.192 CNCc1ccc(c(n1)C)C 2230a_202515432893_200000210301 [1,1,0,0,0,0|2,0,0]=4 6362 B11R1.192 CNCc1ccc(c(n1)C)C 34a_202515432893_200000210301 [1,1,0,0,0,0|2,0,0]=4 6363 B11R1.192 CNCc1cnc(c(c1)Br)O 207a_100102657272_100010064886 [1,1,0,0,0,0|2,0,0]=4 6364 B11R1.192 CNCc1cnc(c(c1)Br)O 270004a_106832991635_100010064886 [1,1,0,0,0,0|2,0,0]=4 6365 B11R1.192 COCc1cc(c(cn1)C)Br 34a_100010113723_200000210301 [1,1,0,0,0,0|2,0,0]=4 6366 B11R1.192 COCc1cc(c(cn1)C)Br 7a_100010113723_200000210301 [1,1,0,0,0,0|2,0,0]=4 6367 B11R1.192 COCc1cc(c(cn1)C)Cl 34a_200000144627_200000210301 [1,1,0,0,0,0|2,0,0]=4 6368 B11R1.192 COCc1cc(c(cn1)C)Cl 7a_200000144627_200000210301 [1,1,0,0,0,0|2,0,0]=4 6369 B11R1.192 COCc1ccc(c(c1)Br)Br 34a_100138415774_100012353900 [1,1,0,0,0,0|2,0,0]=4 6370 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [1,1,0,0,0,0|1,0,0]=3 6371 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [1,1,0,0,0,0|1,0,0]=3 6372 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [1,1,0,0,0,0|1,0,0]=3 6373 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 6374 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100138415774_100012353894 [1,1,0,0,0,0|2,0,0]=4 6375 B11R1.192 COCc1ccc(c(c1)Br)Cl 7a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 6376 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100000246287_200000210301 [1,1,0,0,0,0|2,0,0]=4 6377 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100138415774_100011206884 [1,1,0,0,0,0|2,0,0]=4 6378 B11R1.192 COCc1ccc(c(c1)Br)F 7a_100000246287_200000210301 [1,1,0,0,0,0|2,0,0]=4 6379 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [1,1,0,0,0,0|2,0,0]=4 6380 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [1,1,0,0,0,0|2,0,0]=4 6381 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [1,1,0,0,0,0|2,0,0]=4 6382 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,1,0,0,0,0|1,0,0]=3 6383 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,1,0,0,0,0|1,0,0]=3 6384 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,1,0,0,0,0|1,0,0]=3 6385 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,1,0,0,0,0|2,0,0]=4 6386 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [1,1,0,0,0,0|2,0,0]=4 6387 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [1,1,0,0,0,0|2,0,0]=4 6388 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [1,1,0,0,0,0|2,0,0]=4 6389 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [1,1,0,0,0,0|2,0,0]=4 6390 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100000709168_200000210301 [1,1,0,0,0,0|2,0,0]=4 6391 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100138415774_100012353895 [1,1,0,0,0,0|2,0,0]=4 6392 B11R1.192 COCc1ccc(c(c1)Cl)Br 7a_100000709168_200000210301 [1,1,0,0,0,0|2,0,0]=4 6393 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [1,1,0,0,0,0|1,0,0]=3 6394 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [1,1,0,0,0,0|1,0,0]=3 6395 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [1,1,0,0,0,0|1,0,0]=3 6396 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 6397 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100138415774_100000184707 [1,1,0,0,0,0|2,0,0]=4 6398 B11R1.192 COCc1ccc(c(c1)Cl)Cl 7a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 6399 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100011217911_200000210301 [1,1,0,0,0,0|2,0,0]=4 6400 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100138415774_100011934319 [1,1,0,0,0,0|2,0,0]=4 6401 B11R1.192 COCc1ccc(c(c1)Cl)F 7a_100011217911_200000210301 [1,1,0,0,0,0|2,0,0]=4 6402 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 6403 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100138415774_100012349665 [1,1,0,0,0,0|2,0,0]=4 6404 B11R1.192 COCc1ccc(c(c1)Cl)I 7a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 6405 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 6406 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100138415774_100000767054 [1,1,0,0,0,0|2,0,0]=4 6407 B11R1.192 COCc1ccc(c(c1)F)Br 7a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 6408 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [1,1,0,0,0,0|1,0,0]=3 6409 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [1,1,0,0,0,0|1,0,0]=3 6410 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [1,1,0,0,0,0|1,0,0]=3 6411 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 6412 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100138415774_100011519011 [1,1,0,0,0,0|2,0,0]=4 6413 B11R1.192 COCc1ccc(c(c1)F)Cl 7a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 6414 B11R1.192 COCc1ccc(c(c1)F)F 34a_100011215442_200000210301 [1,1,0,0,0,0|2,0,0]=4 6415 B11R1.192 COCc1ccc(c(c1)F)F 34a_100138415774_100000757363 [1,1,0,0,0,0|2,0,0]=4 6416 B11R1.192 COCc1ccc(c(c1)F)F 7a_100011215442_200000210301 [1,1,0,0,0,0|2,0,0]=4 6417 B11R1.192 COCc1ccc(c(c1)F)I 34a_100010149597_200000210301 [1,1,0,0,0,0|2,0,0]=4 6418 B11R1.192 COCc1ccc(c(c1)F)I 34a_100138415774_100010149604 [1,1,0,0,0,0|2,0,0]=4 6419 B11R1.192 COCc1ccc(c(c1)F)I 7a_100010149597_200000210301 [1,1,0,0,0,0|2,0,0]=4 6420 B11R1.192 COCc1ccc(c(c1)F)N 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 6421 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|1,0,0]=3 6422 B11R1.192 COCc1ccc(c(c1)I)Br 34a_100138415774_100010146616 [1,1,0,0,0,0|2,0,0]=4 6423 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [1,1,0,0,0,0|1,0,0]=3 6424 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [1,1,0,0,0,0|1,0,0]=3 6425 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [1,1,0,0,0,0|1,0,0]=3 6426 B11R1.192 COCc1ccc(c(c1)I)F 34a_100000049585_200000210301 [1,1,0,0,0,0|2,0,0]=4 6427 B11R1.192 COCc1ccc(c(c1)I)F 34a_100138415774_100010188208 [1,1,0,0,0,0|2,0,0]=4 6428 B11R1.192 COCc1ccc(c(c1)I)F 7a_100000049585_200000210301 [1,1,0,0,0,0|2,0,0]=4 6429 B11R1.192 COCc1ccc(c(c1)N)Br 34a_100012347568_200000210301 [1,1,0,0,0,0|2,0,0]=4 6430 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [1,1,0,0,0,0|1,0,0]=3 6431 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [1,1,0,0,0,0|2,0,0]=4 6432 B11R1.192 COCc1ccc(c(c1)N)F 34a_102125399562_200000210301 [1,1,0,0,0,0|2,0,0]=4 6433 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|1,0,0]=3 6434 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,1,0,0,0,0|1,0,0]=3 6435 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,1,0,0,0,0|2,0,0]=4 6436 B11R1.192 COCc1cnc(c(c1)F)C 34a_100009839834_200000210301 [1,1,0,0,0,0|2,0,0]=4 6437 B11R1.192 COCc1cnc(c(c1)F)C 7a_100009839834_200000210301 [1,1,0,0,0,0|2,0,0]=4 6438 B11R1.192 CSCc1cc(=O)c(co1)O 62a_200000210301_100000010605 [1,1,0,0,0,0|2,0,0]=4 6439 B11R1.192 CSCc1ccc(c(c1)Br)Br 62a_100012353900_200000210301 [1,1,0,0,0,0|2,0,0]=4 6440 B11R1.192 CSCc1ccc(c(c1)Br)Br 62a_200000210301_100012353900 [1,1,0,0,0,0|2,0,0]=4 6441 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_100012232412_200000210301 [1,1,0,0,0,0|1,0,0]=3 6442 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_200000210301_100012232412 [1,1,0,0,0,0|1,0,0]=3 6443 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_100012353894_200000210301 [1,1,0,0,0,0|2,0,0]=4 6444 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_200000210301_100012353894 [1,1,0,0,0,0|2,0,0]=4 6445 B11R1.192 CSCc1ccc(c(c1)Br)F 62a_100011206884_200000210301 [1,1,0,0,0,0|2,0,0]=4 6446 B11R1.192 CSCc1ccc(c(c1)Br)F 62a_200000210301_100011206884 [1,1,0,0,0,0|2,0,0]=4 6447 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [1,1,0,0,0,0|2,0,0]=4 6448 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [1,1,0,0,0,0|2,0,0]=4 6449 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,1,0,0,0,0|1,0,0]=3 6450 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,1,0,0,0,0|1,0,0]=3 6451 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [1,1,0,0,0,0|2,0,0]=4 6452 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [1,1,0,0,0,0|2,0,0]=4 6453 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [1,1,0,0,0,0|2,0,0]=4 6454 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [1,1,0,0,0,0|2,0,0]=4 6455 B11R1.192 CSCc1ccc(c(c1)Cl)Br 62a_100012353895_200000210301 [1,1,0,0,0,0|2,0,0]=4 6456 B11R1.192 CSCc1ccc(c(c1)Cl)Br 62a_200000210301_100012353895 [1,1,0,0,0,0|2,0,0]=4 6457 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_100011823929_200000210301 [1,1,0,0,0,0|1,0,0]=3 6458 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_200000210301_100011823929 [1,1,0,0,0,0|1,0,0]=3 6459 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_200000210301 [1,1,0,0,0,0|2,0,0]=4 6460 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_200000210301_100000184707 [1,1,0,0,0,0|2,0,0]=4 6461 B11R1.192 CSCc1ccc(c(c1)Cl)F 62a_100000717365_200000210301 [1,1,0,0,0,0|2,0,0]=4 6462 B11R1.192 CSCc1ccc(c(c1)Cl)F 62a_200000210301_100011934319 [1,1,0,0,0,0|2,0,0]=4 6463 B11R1.192 CSCc1ccc(c(c1)Cl)I 62a_100012349665_200000210301 [1,1,0,0,0,0|2,0,0]=4 6464 B11R1.192 CSCc1ccc(c(c1)Cl)I 62a_200000210301_100012349665 [1,1,0,0,0,0|2,0,0]=4 6465 B11R1.192 CSCc1ccc(c(c1)F)Br 62a_100000767054_200000210301 [1,1,0,0,0,0|2,0,0]=4 6466 B11R1.192 CSCc1ccc(c(c1)F)Br 62a_200000210301_100000767054 [1,1,0,0,0,0|2,0,0]=4 6467 B11R1.192 CSCc1ccc(c(c1)F)C 62a_100011217369_200000210301 [1,1,0,0,0,0|1,0,0]=3 6468 B11R1.192 CSCc1ccc(c(c1)F)C 62a_200000210301_100011217369 [1,1,0,0,0,0|1,0,0]=3 6469 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_100000716492_200000210301 [1,1,0,0,0,0|2,0,0]=4 6470 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_200000210301_100000716492 [1,1,0,0,0,0|2,0,0]=4 6471 B11R1.192 CSCc1ccc(c(c1)F)F 62a_100000757363_200000210301 [1,1,0,0,0,0|2,0,0]=4 6472 B11R1.192 CSCc1ccc(c(c1)F)F 62a_200000210301_100000757363 [1,1,0,0,0,0|2,0,0]=4 6473 B11R1.192 CSCc1ccc(c(c1)F)I 62a_100010149604_200000210301 [1,1,0,0,0,0|2,0,0]=4 6474 B11R1.192 CSCc1ccc(c(c1)F)I 62a_200000210301_100010149604 [1,1,0,0,0,0|2,0,0]=4 6475 B11R1.192 CSCc1ccc(c(c1)I)Br 62a_100010146616_200000210301 [1,1,0,0,0,0|2,0,0]=4 6476 B11R1.192 CSCc1ccc(c(c1)I)Br 62a_200000210301_100010146616 [1,1,0,0,0,0|2,0,0]=4 6477 B11R1.192 CSCc1ccc(c(c1)I)C 62a_100010206137_200000210301 [1,1,0,0,0,0|1,0,0]=3 6478 B11R1.192 CSCc1ccc(c(c1)I)C 62a_200000210301_100010206137 [1,1,0,0,0,0|1,0,0]=3 6479 B11R1.192 CSCc1ccc(c(c1)I)F 62a_100010188208_200000210301 [1,1,0,0,0,0|2,0,0]=4 6480 B11R1.192 CSCc1ccc(c(c1)I)F 62a_200000210301_100010188208 [1,1,0,0,0,0|2,0,0]=4 6481 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 6482 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 6483 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [1,1,0,0,0,0|2,0,0]=4 6484 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [1,1,0,0,0,0|2,0,0]=4 6485 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [1,1,0,0,0,0|2,0,0]=4 6486 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [1,1,0,0,0,0|2,0,0]=4 6487 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [1,1,0,0,0,0|2,0,0]=4 6488 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [1,1,0,0,0,0|2,0,0]=4 6489 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [1,1,0,0,0,0|2,0,0]=4 6490 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [1,1,0,0,0,0|2,0,0]=4 6491 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [1,1,0,0,0,0|2,0,0]=4 6492 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [1,1,0,0,0,0|2,0,0]=4 6493 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [1,1,0,0,0,0|2,0,0]=4 6494 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [1,1,0,0,0,0|2,0,0]=4 6495 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [1,1,0,0,0,0|2,0,0]=4 6496 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|1,0,1]=4 6497 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 6498 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 6499 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,1,0,0,0,0|2,0,0]=4 6500 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [1,1,0,0,0,0|1,0,0]=3 6501 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [1,1,0,0,0,0|1,0,0]=3 6502 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_100012232412_200025704644 [1,1,0,0,0,0|1,0,0]=3 6503 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_200025704644_100012232412 [1,1,0,0,0,0|1,0,0]=3 6504 B11R1.192 Cc1ccc(cc1Br)NCF 34a_100000736455_100015361967 [1,1,0,0,0,0|2,0,0]=4 6505 B11R1.192 Cc1ccc(cc1Br)NCF 7a_100000736455_100015361967 [1,1,0,0,0,0|2,0,0]=4 6506 B11R1.192 Cc1ccc(cc1Br)OCF 34a_100011380479_100015361967 [1,1,0,0,0,0|2,0,0]=4 6507 B11R1.192 Cc1ccc(cc1Br)OCF 7a_100011380479_100015361967 [1,1,0,0,0,0|2,0,0]=4 6508 B11R1.192 Cc1ccc(cc1Br)SCF 62a_100011847877_100015361967 [1,1,0,0,0,0|2,0,0]=4 6509 B11R1.192 Cc1ccc(cc1Br)SCF 62a_100015361967_100011847877 [1,1,0,0,0,0|2,0,0]=4 6510 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,1,0,0,0,0|1,0,0]=3 6511 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,1,0,0,0,0|1,0,0]=3 6512 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,1,0,0,0,0|1,0,0]=3 6513 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,1,0,0,0,0|1,0,0]=3 6514 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,1,0,0,0,0|1,0,0]=3 6515 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,1,0,0,0,0|1,0,0]=3 6516 B11R1.192 Cc1ccc(cc1C)NCF 34a_100000724040_100015361967 [1,1,0,0,0,0|2,0,0]=4 6517 B11R1.192 Cc1ccc(cc1C)NCF 7a_100000724040_100015361967 [1,1,0,0,0,0|2,0,0]=4 6518 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [1,1,0,0,0,0|2,0,0]=4 6519 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [1,1,0,0,0,0|2,0,0]=4 6520 B11R1.192 Cc1ccc(cc1C)SCF 62a_100011215607_100015361967 [1,1,0,0,0,0|2,0,0]=4 6521 B11R1.192 Cc1ccc(cc1C)SCF 62a_100015361967_100011215607 [1,1,0,0,0,0|2,0,0]=4 6522 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 2230a_102495364989_200025704644 [1,1,0,0,0,0|1,0,0]=3 6523 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 34a_102495364989_200025704644 [1,1,0,0,0,0|1,0,0]=3 6524 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [1,1,0,0,0,0|1,0,0]=3 6525 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [1,1,0,0,0,0|1,0,0]=3 6526 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_100011823929_200025704644 [1,1,0,0,0,0|1,0,0]=3 6527 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100011823929 [1,1,0,0,0,0|1,0,0]=3 6528 B11R1.192 Cc1ccc(cc1Cl)NCF 34a_100000188892_100015361967 [1,1,0,0,0,0|2,0,0]=4 6529 B11R1.192 Cc1ccc(cc1Cl)NCF 7a_100000188892_100015361967 [1,1,0,0,0,0|2,0,0]=4 6530 B11R1.192 Cc1ccc(cc1Cl)OCF 34a_100011265682_100015361967 [1,1,0,0,0,0|2,0,0]=4 6531 B11R1.192 Cc1ccc(cc1Cl)OCF 7a_100011265682_100015361967 [1,1,0,0,0,0|2,0,0]=4 6532 B11R1.192 Cc1ccc(cc1Cl)SCF 62a_100011216363_100015361967 [1,1,0,0,0,0|2,0,0]=4 6533 B11R1.192 Cc1ccc(cc1Cl)SCF 62a_100015361967_100011216363 [1,1,0,0,0,0|2,0,0]=4 6534 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 2230a_100102708794_200025704644 [1,1,0,0,0,0|1,0,0]=3 6535 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 34a_100102708794_200025704644 [1,1,0,0,0,0|1,0,0]=3 6536 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [1,1,0,0,0,0|1,0,0]=3 6537 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [1,1,0,0,0,0|1,0,0]=3 6538 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_100011217369_200025704644 [1,1,0,0,0,0|1,0,0]=3 6539 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_200025704644_100011217369 [1,1,0,0,0,0|1,0,0]=3 6540 B11R1.192 Cc1ccc(cc1F)NCF 34a_100000210958_100015361967 [1,1,0,0,0,0|2,0,0]=4 6541 B11R1.192 Cc1ccc(cc1F)NCF 7a_100000210958_100015361967 [1,1,0,0,0,0|2,0,0]=4 6542 B11R1.192 Cc1ccc(cc1F)OCF 34a_100000722560_100015361967 [1,1,0,0,0,0|2,0,0]=4 6543 B11R1.192 Cc1ccc(cc1F)OCF 7a_100000722560_100015361967 [1,1,0,0,0,0|2,0,0]=4 6544 B11R1.192 Cc1ccc(cc1F)SCF 62a_100000720648_100015361967 [1,1,0,0,0,0|2,0,0]=4 6545 B11R1.192 Cc1ccc(cc1F)SCF 62a_100015361967_100000720648 [1,1,0,0,0,0|2,0,0]=4 6546 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [1,1,0,0,0,0|1,0,0]=3 6547 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [1,1,0,0,0,0|1,0,0]=3 6548 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_100010206137_200025704644 [1,1,0,0,0,0|1,0,0]=3 6549 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_200025704644_100010206137 [1,1,0,0,0,0|1,0,0]=3 6550 B11R1.192 Cc1ccc(cc1I)NCF 34a_100000184131_100015361967 [1,1,0,0,0,0|2,0,0]=4 6551 B11R1.192 Cc1ccc(cc1I)NCF 7a_100000184131_100015361967 [1,1,0,0,0,0|2,0,0]=4 6552 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [1,1,0,0,0,0|1,0,0]=3 6553 B11R1.192 Cc1ccc(cc1N)OCF 34a_100011216113_100015361967 [1,1,0,0,0,0|2,0,0]=4 6554 B11R1.192 Cc1ccc(cc1N)OCF 7a_100011216113_100015361967 [1,1,0,0,0,0|2,0,0]=4 6555 B11R1.192 Cc1ccc(cc1N)SCF 62a_100000761890_100015361967 [1,1,0,0,0,0|2,0,0]=4 6556 B11R1.192 Cc1ccc(cc1N)SCF 62a_100015361967_100000761890 [1,1,0,0,0,0|2,0,0]=4 6557 B11R1.192 Cc1ccc(cc1O)NCF 34a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 6558 B11R1.192 Cc1ccc(cc1O)NCF 7a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 6559 B11R1.192 Cc1ccc(cc1O)SCF 62a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 6560 B11R1.192 Cc1ccc(cc1O)SCF 62a_100015361967_100000685420 [1,1,0,0,0,0|2,0,0]=4 6561 B11R1.192 Cc1ccc(nc1C)CN[13CH3] 2230a_202515432893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6562 B11R1.192 Cc1ccc(nc1C)CN[13CH3] 34a_202515432893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6563 B11R1.192 Cc1cnc(cc1Br)CO[13CH3] 34a_100010113723_200025704644 [1,1,0,0,0,0|2,0,0]=4 6564 B11R1.192 Cc1cnc(cc1Br)CO[13CH3] 7a_100010113723_200025704644 [1,1,0,0,0,0|2,0,0]=4 6565 B11R1.192 Cc1cnc(cc1Cl)CO[13CH3] 34a_200000144627_200025704644 [1,1,0,0,0,0|2,0,0]=4 6566 B11R1.192 Cc1cnc(cc1Cl)CO[13CH3] 7a_200000144627_200025704644 [1,1,0,0,0,0|2,0,0]=4 6567 B11R1.192 Cc1ncc(cc1F)CO[13CH3] 34a_100009839834_200025704644 [1,1,0,0,0,0|2,0,0]=4 6568 B11R1.192 Cc1ncc(cc1F)CO[13CH3] 7a_100009839834_200025704644 [1,1,0,0,0,0|2,0,0]=4 6569 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,1,0,0,0,0|1,0,1]=4 6570 B11R1.192 Nc1cc(ccc1O)SCF 62a_100000752626_100015361967 [1,1,0,0,0,0|2,0,0]=4 6571 B11R1.192 Nc1cc(ccc1O)SCF 62a_100015361967_100000752626 [1,1,0,0,0,0|2,0,0]=4 6572 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|1,0,0]=3 6573 B11R1.192 Oc1ccc(cc1Br)NCF 34a_100011534360_100015361967 [1,1,0,0,0,0|2,0,0]=4 6574 B11R1.192 Oc1ccc(cc1Br)SCF 62a_100012361655_100015361967 [1,1,0,0,0,0|2,0,0]=4 6575 B11R1.192 Oc1ccc(cc1Br)SCF 62a_100015361967_100012361655 [1,1,0,0,0,0|2,0,0]=4 6576 B11R1.192 Oc1ccc(cc1Cl)NCF 34a_100000744943_100015361967 [1,1,0,0,0,0|2,0,0]=4 6577 B11R1.192 Oc1ccc(cc1Cl)SCF 62a_100012360047_100015361967 [1,1,0,0,0,0|2,0,0]=4 6578 B11R1.192 Oc1ccc(cc1Cl)SCF 62a_100015361967_100012360047 [1,1,0,0,0,0|2,0,0]=4 6579 B11R1.192 Oc1ccc(cc1F)NCF 34a_100011220035_100015361967 [1,1,0,0,0,0|2,0,0]=4 6580 B11R1.192 Oc1ccc(cc1F)NCF 7a_100011220035_100015361967 [1,1,0,0,0,0|2,0,0]=4 6581 B11R1.192 Oc1ccc(cc1F)SCF 62a_100000185481_100015361967 [1,1,0,0,0,0|2,0,0]=4 6582 B11R1.192 Oc1ccc(cc1F)SCF 62a_100015361967_100000185481 [1,1,0,0,0,0|2,0,0]=4 6583 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|2,0,0]=4 6584 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|2,0,0]=4 6585 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 2230a_100012351559_200025704644 [1,1,0,0,0,0|2,0,0]=4 6586 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 34a_100012351559_200025704644 [1,1,0,0,0,0|2,0,0]=4 6587 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 2230a_100012349490_200025704644 [1,1,0,0,0,0|2,0,0]=4 6588 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 34a_100012349490_200025704644 [1,1,0,0,0,0|2,0,0]=4 6589 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 2230a_100015193890_200025704644 [1,1,0,0,0,0|2,0,0]=4 6590 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 34a_100015193890_200025704644 [1,1,0,0,0,0|2,0,0]=4 6591 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 2230a_100012362553_200025704644 [1,1,0,0,0,0|2,0,0]=4 6592 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 34a_100012362553_200025704644 [1,1,0,0,0,0|2,0,0]=4 6593 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200025704644 [1,1,0,0,0,0|2,0,0]=4 6594 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 34a_100000174881_200025704644 [1,1,0,0,0,0|2,0,0]=4 6595 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 2230a_100000749334_200025704644 [1,1,0,0,0,0|2,0,0]=4 6596 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 34a_100000749334_200025704644 [1,1,0,0,0,0|2,0,0]=4 6597 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 2230a_100000755036_200025704644 [1,1,0,0,0,0|2,0,0]=4 6598 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 34a_100000755036_200025704644 [1,1,0,0,0,0|2,0,0]=4 6599 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 2230a_100011219866_200025704644 [1,1,0,0,0,0|2,0,0]=4 6600 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 34a_100011219866_200025704644 [1,1,0,0,0,0|2,0,0]=4 6601 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 2230a_100000737897_200025704644 [1,1,0,0,0,0|2,0,0]=4 6602 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 34a_100000737897_200025704644 [1,1,0,0,0,0|2,0,0]=4 6603 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,1,0,0,0,0|1,0,0]=3 6604 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,1,0,0,0,0|2,0,0]=4 6605 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [1,1,0,0,0,0|2,0,0]=4 6606 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,0]=3 6607 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 34a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6608 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 7a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6609 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 34a_100000246287_200025704644 [1,1,0,0,0,0|2,0,0]=4 6610 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 7a_100000246287_200025704644 [1,1,0,0,0,0|2,0,0]=4 6611 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 34a_100000709168_200025704644 [1,1,0,0,0,0|2,0,0]=4 6612 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 7a_100000709168_200025704644 [1,1,0,0,0,0|2,0,0]=4 6613 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 34a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 6614 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 7a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 6615 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 34a_100011217911_200025704644 [1,1,0,0,0,0|2,0,0]=4 6616 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 7a_100011217911_200025704644 [1,1,0,0,0,0|2,0,0]=4 6617 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 34a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 6618 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 7a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 6619 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 34a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 6620 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 7a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 6621 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 34a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 6622 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 7a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 6623 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 34a_100011215442_200025704644 [1,1,0,0,0,0|2,0,0]=4 6624 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 7a_100011215442_200025704644 [1,1,0,0,0,0|2,0,0]=4 6625 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 34a_100010149597_200025704644 [1,1,0,0,0,0|2,0,0]=4 6626 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 7a_100010149597_200025704644 [1,1,0,0,0,0|2,0,0]=4 6627 B11R1.192 [13CH3]OCc1ccc(c(c1)F)N 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 6628 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 34a_100000049585_200025704644 [1,1,0,0,0,0|2,0,0]=4 6629 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 7a_100000049585_200025704644 [1,1,0,0,0,0|2,0,0]=4 6630 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Br 34a_100012347568_200025704644 [1,1,0,0,0,0|2,0,0]=4 6631 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [1,1,0,0,0,0|2,0,0]=4 6632 B11R1.192 [13CH3]OCc1ccc(c(c1)N)F 34a_102125399562_200025704644 [1,1,0,0,0,0|2,0,0]=4 6633 B11R1.192 [13CH3]SCc1cc(=O)c(co1)O 62a_200025704644_100000010605 [1,1,0,0,0,0|2,0,0]=4 6634 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Br 62a_100012353900_200025704644 [1,1,0,0,0,0|2,0,0]=4 6635 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Br 62a_200025704644_100012353900 [1,1,0,0,0,0|2,0,0]=4 6636 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_100012353894_200025704644 [1,1,0,0,0,0|2,0,0]=4 6637 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_200025704644_100012353894 [1,1,0,0,0,0|2,0,0]=4 6638 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)F 62a_100011206884_200025704644 [1,1,0,0,0,0|2,0,0]=4 6639 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)F 62a_200025704644_100011206884 [1,1,0,0,0,0|2,0,0]=4 6640 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Br 62a_100012353895_200025704644 [1,1,0,0,0,0|2,0,0]=4 6641 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Br 62a_200025704644_100012353895 [1,1,0,0,0,0|2,0,0]=4 6642 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_100000184707_200025704644 [1,1,0,0,0,0|2,0,0]=4 6643 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_200025704644_100000184707 [1,1,0,0,0,0|2,0,0]=4 6644 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)F 62a_100000717365_200025704644 [1,1,0,0,0,0|2,0,0]=4 6645 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)F 62a_200025704644_100011934319 [1,1,0,0,0,0|2,0,0]=4 6646 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)I 62a_100012349665_200025704644 [1,1,0,0,0,0|2,0,0]=4 6647 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)I 62a_200025704644_100012349665 [1,1,0,0,0,0|2,0,0]=4 6648 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Br 62a_100000767054_200025704644 [1,1,0,0,0,0|2,0,0]=4 6649 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Br 62a_200025704644_100000767054 [1,1,0,0,0,0|2,0,0]=4 6650 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_100000716492_200025704644 [1,1,0,0,0,0|2,0,0]=4 6651 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_200025704644_100000716492 [1,1,0,0,0,0|2,0,0]=4 6652 B11R1.192 [13CH3]SCc1ccc(c(c1)F)F 62a_100000757363_200025704644 [1,1,0,0,0,0|2,0,0]=4 6653 B11R1.192 [13CH3]SCc1ccc(c(c1)F)F 62a_200025704644_100000757363 [1,1,0,0,0,0|2,0,0]=4 6654 B11R1.192 [13CH3]SCc1ccc(c(c1)F)I 62a_100010149604_200025704644 [1,1,0,0,0,0|2,0,0]=4 6655 B11R1.192 [13CH3]SCc1ccc(c(c1)F)I 62a_200025704644_100010149604 [1,1,0,0,0,0|2,0,0]=4 6656 B11R1.192 [13CH3]SCc1ccc(c(c1)I)Br 62a_100010146616_200025704644 [1,1,0,0,0,0|2,0,0]=4 6657 B11R1.192 [13CH3]SCc1ccc(c(c1)I)Br 62a_200025704644_100010146616 [1,1,0,0,0,0|2,0,0]=4 6658 B11R1.192 [13CH3]SCc1ccc(c(c1)I)F 62a_100010188208_200025704644 [1,1,0,0,0,0|2,0,0]=4 6659 B11R1.192 [13CH3]SCc1ccc(c(c1)I)F 62a_200025704644_100010188208 [1,1,0,0,0,0|2,0,0]=4 6660 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,1,0,0,0,0|1,0,0]=3 6661 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [1,1,0,0,0,0|2,0,0]=4 6662 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,1,0,0,0,0|2,0,0]=4 6663 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,1,0,0,0,0|2,0,0]=4 6664 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,1,0,0,0,0|1,0,1]=4 6665 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,1,0,0,0,0|0,0,1]=3 6666 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,1,0,0,0,0|0,0,1]=3 6667 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,1,0,0,0,0|0,0,1]=3 6668 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,1,0,0,0,0|0,0,1]=3 6669 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,1,0,0,0,0|0,0,1]=3 6670 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,1,0,0,0,0|0,1,1]=4 6671 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,1,0,0,0,0|0,1,1]=4 6672 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,1,0,0,0,0|0,1,1]=4 6673 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,1,0,0,0,0|0,1,1]=4 6674 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,1,0,0,0,0|0,1,1]=4 6675 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [1,1,0,0,0,0|2,0,0]=4 6676 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [1,1,0,0,0,0|1,0,1]=4 6677 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [1,1,0,0,0,0|2,0,0]=4 6678 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [1,1,0,0,0,0|1,0,1]=4 6679 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [1,1,0,0,0,0|1,0,1]=4 6680 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,1,0,0,0,0|1,0,1]=4 6681 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [1,1,0,0,0,0|1,0,1]=4 6682 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [1,1,0,0,0,0|1,0,1]=4 6683 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|2,0,0]=4 6684 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|0,0,1]=3 6685 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|0,0,1]=3 6686 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,1,0,0,0,0|0,1,1]=4 6687 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,1,0,0,0,0|0,1,1]=4 6688 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,1,0,0,0,0|1,0,1]=4 6689 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,1,0,0,0,0|1,0,1]=4 6690 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,1,0,0,0,0|1,0,0]=3 6691 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,1,0,0,0,0|1,0,0]=3 6692 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,1,0,0,0,0|1,0,0]=3 6693 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|0,0,0]=2 6694 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|0,0,0]=2 6695 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,1,0,0,0,0|0,1,0]=3 6696 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,1,0,0,0,0|0,1,0]=3 6697 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [1,1,0,0,0,0|1,1,0]=4 6698 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [1,1,0,0,0,0|1,1,0]=4 6699 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [1,1,0,0,0,0|1,1,0]=4 6700 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [1,1,0,0,0,0|1,1,0]=4 6701 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [1,1,0,0,0,0|1,1,0]=4 6702 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [1,1,0,0,0,0|1,1,0]=4 6703 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|1,0,0]=3 6704 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,0]=3 6705 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|0,0,0]=2 6706 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|0,0,0]=2 6707 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,1,0,0,0,0|0,1,0]=3 6708 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,1,0,0,0,0|0,1,0]=3 6709 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [1,1,0,0,0,0|1,1,0]=4 6710 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [1,1,0,0,0,0|1,1,0]=4 6711 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [1,1,0,0,0,0|1,1,0]=4 6712 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [1,1,0,0,0,0|1,1,0]=4 6713 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,1,0,0,0,0|1,0,0]=3 6714 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,1,0,0,0,0|1,0,0]=3 6715 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [1,1,0,0,0,0|2,0,0]=4 6716 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,1,0,0,0,0|1,0,0]=3 6717 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [1,1,0,0,0,0|1,1,0]=4 6718 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [1,1,0,0,0,0|1,1,0]=4 6719 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,1,0,0,0,0|1,0,0]=3 6720 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,1,0,0,0,0|1,0,0]=3 6721 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,1,0,0,0,0|1,0,0]=3 6722 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|1,0,0]=3 6723 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,0]=3 6724 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [1,1,0,0,0,0|2,0,0]=4 6725 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [1,1,0,0,0,0|2,0,0]=4 6726 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [1,1,0,0,0,0|2,0,0]=4 6727 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|0,0,1]=3 6728 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|0,0,1]=3 6729 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|0,0,1]=3 6730 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|1,0,1]=4 6731 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|1,0,1]=4 6732 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|0,0,1]=3 6733 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|0,0,0]=2 6734 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|0,0,0]=2 6735 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|0,0,0]=2 6736 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|0,0,0]=2 6737 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 6738 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 6739 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 6740 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,1,0,0,0,0|1,0,0]=3 6741 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 6742 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 6743 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 6744 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|1,0,0]=3 6745 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|1,0,0]=3 6746 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,1,0,0,0,0|0,0,0]=2 6747 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,1,0,0,0,0|2,0,0]=4 6748 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,1,0,0,0,0|2,0,0]=4 6749 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,1,0,0,0,0|1,0,0]=3 6750 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,1,0,0,0,0|1,0,0]=3 6751 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,1,0,0,0,0|1,0,1]=4 6752 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,1,0,0,0,0|1,0,1]=4 6753 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|1,0,0]=3 6754 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|1,0,0]=3 6755 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [1,1,0,0,0,0|1,1,0]=4 6756 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,1,0,0,0,0|0,1,1]=4 6757 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,1,0,0,0,0|0,1,1]=4 6758 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,1,0,0,0,0|0,1,1]=4 6759 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,1,0,0,0,0|0,1,1]=4 6760 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,1,0,0,0,0|0,1,0]=3 6761 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,1,0,0,0,0|0,1,0]=3 6762 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,1,0,0,0,0|0,1,0]=3 6763 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,1,0,0,0,0|0,1,0]=3 6764 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [1,1,0,0,0,0|1,1,0]=4 6765 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [1,1,0,0,0,0|1,1,0]=4 6766 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [1,1,0,0,0,0|1,1,0]=4 6767 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [1,1,0,0,0,0|1,1,0]=4 6768 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [1,1,0,0,0,0|1,1,0]=4 6769 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [1,1,0,0,0,0|0,1,0]=3 6770 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [1,1,0,0,0,0|0,1,0]=3 6771 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [1,1,0,0,0,0|0,1,0]=3 6772 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [1,1,0,0,0,0|0,1,0]=3 6773 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [1,1,0,0,0,0|1,1,0]=4 6774 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [1,1,0,0,0,0|1,1,0]=4 6775 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [1,1,0,0,0,0|1,1,0]=4 6776 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [1,1,0,0,0,0|1,1,0]=4 6777 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [1,1,0,0,0,0|1,1,0]=4 6778 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [1,1,0,0,0,0|1,1,0]=4 6779 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [1,1,0,0,0,0|1,1,0]=4 6780 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [1,1,0,0,0,0|1,1,0]=4 6781 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [1,1,0,0,0,0|1,1,0]=4 6782 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [1,1,0,0,0,0|1,1,0]=4 6783 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [1,1,0,0,0,0|1,1,0]=4 6784 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [1,1,0,0,0,0|1,1,0]=4 6785 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [1,1,0,0,0,0|0,1,0]=3 6786 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [1,1,0,0,0,0|0,1,0]=3 6787 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,1,0,0,0,0|0,0,0]=2 6788 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [1,1,0,0,0,0|0,1,0]=3 6789 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [1,1,0,0,0,0|0,1,0]=3 6790 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [1,1,0,0,0,0|1,1,0]=4 6791 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [1,1,0,0,0,0|1,1,0]=4 6792 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,1,0,0,0,0|1,0,0]=3 6793 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,1,0,0,0,0|1,0,0]=3 6794 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|2,0,0]=4 6795 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [1,1,0,0,0,0|2,0,0]=4 6796 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [1,1,0,0,0,0|2,0,0]=4 6797 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|1,0,1]=4 6798 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|1,0,1]=4 6799 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,1,0,0,0,0|2,0,0]=4 6800 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,1,0,0,0,0|2,0,0]=4 6801 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [1,1,0,0,0,0|1,1,0]=4 6802 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [1,1,0,0,0,0|1,1,0]=4 6803 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|0,0,2]=4 6804 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|0,0,2]=4 6805 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|0,0,2]=4 6806 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|1,0,1]=4 6807 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|0,0,2]=4 6808 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|1,0,1]=4 6809 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|0,0,2]=4 6810 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|0,0,2]=4 6811 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,1,0,0,0,0|1,0,1]=4 6812 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [1,1,0,0,0,0|0,0,2]=4 6813 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,1,0,0,0,0|0,0,2]=4 6814 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,1,0,0,0,0|1,0,1]=4 6815 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [1,1,0,0,0,0|0,0,2]=4 6816 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [1,1,0,0,0,0|0,0,2]=4 6817 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [1,1,0,0,0,0|0,0,2]=4 6818 B11R1.279 CCc1ccc(c(c1)Br)NC 2230a_100012339725_200000210301 [1,1,0,0,0,0|1,0,0]=3 6819 B11R1.279 CCc1ccc(c(c1)Br)NC 34a_100012339725_200000210301 [1,1,0,0,0,0|1,0,0]=3 6820 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 2230a_100012339725_200025704644 [1,1,0,0,0,0|1,0,0]=3 6821 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 34a_100012339725_200025704644 [1,1,0,0,0,0|1,0,0]=3 6822 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,1,0,0,0,0|0,0,0]=2 6823 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,1,0,0,0,0|0,0,0]=2 6824 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,1,0,0,0,0|0,0,0]=2 6825 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,1,0,0,0,0|0,0,0]=2 6826 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200000210301_200009997437 [1,1,0,0,0,0|0,1,0]=3 6827 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200009997437_200000210301 [1,1,0,0,0,0|0,1,0]=3 6828 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200009997437_200025704644 [1,1,0,0,0,0|0,1,0]=3 6829 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200009997437 [1,1,0,0,0,0|0,1,0]=3 6830 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,1,0,0,0,0|1,0,0]=3 6831 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,1,0,0,0,0|1,0,0]=3 6832 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,1,0,0,0,0|1,0,0]=3 6833 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,1,0,0,0,0|1,0,0]=3 6834 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,1,0,0,0,0|1,0,0]=3 6835 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,1,0,0,0,0|1,0,0]=3 6836 B11R1.279 CCc1ccc(c(c1)F)NC 2230a_100016177294_200000210301 [1,1,0,0,0,0|1,0,0]=3 6837 B11R1.279 CCc1ccc(c(c1)F)NC 34a_100016177294_200000210301 [1,1,0,0,0,0|1,0,0]=3 6838 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 2230a_100016177294_200025704644 [1,1,0,0,0,0|1,0,0]=3 6839 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 34a_100016177294_200025704644 [1,1,0,0,0,0|1,0,0]=3 6840 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200000210301_200010339503 [1,1,0,0,0,0|0,1,0]=3 6841 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200010339503_200000210301 [1,1,0,0,0,0|0,1,0]=3 6842 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200010339503_200025704644 [1,1,0,0,0,0|0,1,0]=3 6843 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010339503 [1,1,0,0,0,0|0,1,0]=3 6844 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,1,0,0,0,0|0,0,0]=2 6845 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,1,0,0,0,0|0,0,0]=2 6846 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,1,0,0,0,0|0,0,0]=2 6847 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,1,0,0,0,0|0,0,0]=2 6848 B11R1.279 CCc1ccc(c(c1)O)C#N 271570a_203496583355_100010295696 [1,1,0,0,0,0|2,0,0]=4 6849 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,1,0,0,0,0|1,0,0]=3 6850 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,1,0,0,0,0|1,0,0]=3 6851 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|0,0,0]=2 6852 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [1,1,0,0,0,0|1,0,0]=3 6853 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [1,1,0,0,0,0|1,0,0]=3 6854 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [1,1,0,0,0,0|1,0,0]=3 6855 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [1,1,0,0,0,0|1,0,0]=3 6856 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [1,1,0,0,0,0|1,0,0]=3 6857 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [1,1,0,0,0,0|1,0,0]=3 6858 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [1,1,0,0,0,0|0,0,0]=2 6859 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [1,1,0,0,0,0|0,0,0]=2 6860 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [1,1,0,0,0,0|0,0,0]=2 6861 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [1,1,0,0,0,0|0,0,0]=2 6862 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [1,1,0,0,0,0|0,1,0]=3 6863 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [1,1,0,0,0,0|0,1,0]=3 6864 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [1,1,0,0,0,0|0,1,0]=3 6865 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [1,1,0,0,0,0|0,1,0]=3 6866 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [1,1,0,0,0,0|0,1,0]=3 6867 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [1,1,0,0,0,0|0,1,0]=3 6868 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [1,1,0,0,0,0|0,1,0]=3 6869 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [1,1,0,0,0,0|0,1,0]=3 6870 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [1,1,0,0,0,0|1,0,0]=3 6871 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 6872 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|1,0,0]=3 6873 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|1,0,0]=3 6874 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|1,0,0]=3 6875 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [1,1,0,0,0,0|1,1,0]=4 6876 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [1,1,0,0,0,0|1,1,0]=4 6877 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [1,1,0,0,0,0|1,1,0]=4 6878 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [1,1,0,0,0,0|1,1,0]=4 6879 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [1,1,0,0,0,0|2,0,0]=4 6880 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [1,1,0,0,0,0|1,0,0]=3 6881 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [1,1,0,0,0,0|1,0,0]=3 6882 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [1,1,0,0,0,0|1,0,0]=3 6883 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [1,1,0,0,0,0|1,0,0]=3 6884 B11R1.279 CNc1ccc(c(c1)F)SC 2230a_100000762756_200000210301 [1,1,0,0,0,0|1,1,0]=4 6885 B11R1.279 CNc1ccc(c(c1)F)SC 34a_100000762756_200000210301 [1,1,0,0,0,0|1,1,0]=4 6886 B11R1.279 CNc1ccc(c(c1)F)SC 62a_100012285320_200000210301 [1,1,0,0,0,0|1,1,0]=4 6887 B11R1.279 CNc1ccc(c(c1)F)SC 62a_200000210301_100012285320 [1,1,0,0,0,0|1,1,0]=4 6888 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_100012285320_200025704644 [1,1,0,0,0,0|1,1,0]=4 6889 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100012285320 [1,1,0,0,0,0|1,1,0]=4 6890 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [1,1,0,0,0,0|1,0,0]=3 6891 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|1,0,0]=3 6892 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,0]=3 6893 B11R1.279 CNc1ccc(c(n1)F)OC 27a_100102657272_100010138636 [1,1,0,0,0,0|2,0,0]=4 6894 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [1,1,0,0,0,0|1,0,0]=3 6895 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,1,0,0,0,0|2,0,0]=4 6896 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,1,0,0,0,0|2,0,0]=4 6897 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,1,0,0,0,0|1,0,0]=3 6898 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 6899 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 6900 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 6901 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 6902 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [1,1,0,0,0,0|1,1,0]=4 6903 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [1,1,0,0,0,0|1,1,0]=4 6904 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [1,1,0,0,0,0|1,1,0]=4 6905 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [1,1,0,0,0,0|1,1,0]=4 6906 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [1,1,0,0,0,0|1,0,0]=3 6907 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 6908 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 6909 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [1,1,0,0,0,0|1,0,0]=3 6910 B11R1.279 CNc1ccc(cc1F)SC 34a_100012056844_200000210301 [1,1,0,0,0,0|1,1,0]=4 6911 B11R1.279 CNc1ccc(cc1F)SC 62a_100000743884_200000210301 [1,1,0,0,0,0|1,1,0]=4 6912 B11R1.279 CNc1ccc(cc1F)SC 62a_200000210301_100000743884 [1,1,0,0,0,0|1,1,0]=4 6913 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_100000743884_200025704644 [1,1,0,0,0,0|1,1,0]=4 6914 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_200025704644_100000743884 [1,1,0,0,0,0|1,1,0]=4 6915 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [1,1,0,0,0,0|1,0,0]=3 6916 B11R1.279 CNc1ccc(cc1N)SC 62a_100000741790_200000210301 [1,1,0,0,0,0|1,1,0]=4 6917 B11R1.279 CNc1ccc(cc1N)S[13CH3] 62a_100000741790_200025704644 [1,1,0,0,0,0|1,1,0]=4 6918 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [1,1,0,0,0,0|1,0,0]=3 6919 B11R1.279 COc1cc(c(cn1)SC)C 62a_100011934368_200000210301 [1,1,0,0,0,0|2,0,0]=4 6920 B11R1.279 COc1cc(c(cn1)SC)C 62a_200000210301_100011934368 [1,1,0,0,0,0|2,0,0]=4 6921 B11R1.279 COc1cc(c(cn1)SC)F 62a_100010136277_200000210301 [1,1,0,0,0,0|2,0,0]=4 6922 B11R1.279 COc1cc(c(cn1)SC)F 62a_200000210301_100010136277 [1,1,0,0,0,0|2,0,0]=4 6923 B11R1.279 COc1cc(c(cn1)SC)N 62a_100010254562_200000210301 [1,1,0,0,0,0|2,0,0]=4 6924 B11R1.279 COc1cc(c(cn1)SC)N 62a_200000210301_100010254562 [1,1,0,0,0,0|2,0,0]=4 6925 B11R1.279 COc1cc(c(cn1)SC)O 62a_100010738159_200000210301 [1,1,0,0,0,0|2,0,0]=4 6926 B11R1.279 COc1cc(c(cn1)SC)O 62a_200000210301_100010738159 [1,1,0,0,0,0|2,0,0]=4 6927 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_100011934368_200025704644 [1,1,0,0,0,0|2,0,0]=4 6928 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934368 [1,1,0,0,0,0|2,0,0]=4 6929 B11R1.279 COc1cc(c(cn1)S[13CH3])F 62a_100010136277_200025704644 [1,1,0,0,0,0|2,0,0]=4 6930 B11R1.279 COc1cc(c(cn1)S[13CH3])F 62a_200025704644_100010136277 [1,1,0,0,0,0|2,0,0]=4 6931 B11R1.279 COc1cc(c(cn1)S[13CH3])N 62a_100010254562_200025704644 [1,1,0,0,0,0|2,0,0]=4 6932 B11R1.279 COc1cc(c(cn1)S[13CH3])N 62a_200025704644_100010254562 [1,1,0,0,0,0|2,0,0]=4 6933 B11R1.279 COc1cc(c(cn1)S[13CH3])O 62a_100010738159_200025704644 [1,1,0,0,0,0|2,0,0]=4 6934 B11R1.279 COc1cc(c(cn1)S[13CH3])O 62a_200025704644_100010738159 [1,1,0,0,0,0|2,0,0]=4 6935 B11R1.279 COc1ccc(c(c1)Br)C#N 34a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 6936 B11R1.279 COc1ccc(c(c1)Br)C#N 7a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 6937 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 6938 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [1,1,0,0,0,0|1,0,0]=3 6939 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [1,1,0,0,0,0|1,0,0]=3 6940 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [1,1,0,0,0,0|1,0,0]=3 6941 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [1,1,0,0,0,0|1,0,0]=3 6942 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [1,1,0,0,0,0|1,0,0]=3 6943 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [1,1,0,0,0,0|1,0,0]=3 6944 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [1,1,0,0,0,0|1,0,0]=3 6945 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [1,1,0,0,0,0|1,0,0]=3 6946 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [1,1,0,0,0,0|1,0,0]=3 6947 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [1,1,0,0,0,0|1,0,0]=3 6948 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [1,1,0,0,0,0|1,0,0]=3 6949 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [1,1,0,0,0,0|1,0,0]=3 6950 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 6951 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 6952 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,1,0,0,0,0|1,0,0]=3 6953 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|1,0,0]=3 6954 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|1,0,0]=3 6955 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|1,0,0]=3 6956 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|1,0,0]=3 6957 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|1,0,0]=3 6958 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|1,0,0]=3 6959 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,1,0,0,0,0|1,0,0]=3 6960 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,1,0,0,0,0|1,0,0]=3 6961 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,1,0,0,0,0|1,0,0]=3 6962 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,1,0,0,0,0|1,0,0]=3 6963 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,1,0,0,0,0|1,0,0]=3 6964 B11R1.279 COc1ccc(c(c1)Cl)C#N 34a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 6965 B11R1.279 COc1ccc(c(c1)Cl)C#N 7a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 6966 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,0]=3 6967 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [1,1,0,0,0,0|1,0,0]=3 6968 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [1,1,0,0,0,0|1,0,0]=3 6969 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [1,1,0,0,0,0|1,0,0]=3 6970 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [1,1,0,0,0,0|1,0,0]=3 6971 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [1,1,0,0,0,0|1,0,0]=3 6972 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [1,1,0,0,0,0|1,0,0]=3 6973 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [1,1,0,0,0,0|1,0,0]=3 6974 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [1,1,0,0,0,0|1,0,0]=3 6975 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [1,1,0,0,0,0|1,0,0]=3 6976 B11R1.279 COc1ccc(c(c1)F)C#N 34a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 6977 B11R1.279 COc1ccc(c(c1)F)C#N 7a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 6978 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [1,1,0,0,0,0|1,0,0]=3 6979 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [1,1,0,0,0,0|1,0,0]=3 6980 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [1,1,0,0,0,0|1,0,0]=3 6981 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [1,1,0,0,0,0|1,0,0]=3 6982 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [1,1,0,0,0,0|1,0,0]=3 6983 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [1,1,0,0,0,0|1,0,0]=3 6984 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [1,1,0,0,0,0|1,0,0]=3 6985 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [1,1,0,0,0,0|1,0,0]=3 6986 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [1,1,0,0,0,0|1,0,0]=3 6987 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [1,1,0,0,0,0|1,0,0]=3 6988 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [1,1,0,0,0,0|1,0,0]=3 6989 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [1,1,0,0,0,0|1,0,0]=3 6990 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [1,1,0,0,0,0|1,0,0]=3 6991 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [1,1,0,0,0,0|1,0,0]=3 6992 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [1,1,0,0,0,0|1,0,0]=3 6993 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [1,1,0,0,0,0|1,0,0]=3 6994 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|1,0,0]=3 6995 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [1,1,0,0,0,0|1,0,0]=3 6996 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [1,1,0,0,0,0|1,0,0]=3 6997 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [1,1,0,0,0,0|1,0,0]=3 6998 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [1,1,0,0,0,0|1,0,0]=3 6999 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [1,1,0,0,0,0|1,0,0]=3 7000 B11R1.279 COc1ccc(c(c1)O)C#N 271570a_203496583355_100012355471 [1,1,0,0,0,0|1,0,1]=4 7001 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|1,0,1]=4 7002 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|1,0,0]=3 7003 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [1,1,0,0,0,0|1,0,0]=3 7004 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|1,0,0]=3 7005 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [1,1,0,0,0,0|1,0,0]=3 7006 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [1,1,0,0,0,0|1,0,0]=3 7007 B11R1.279 COc1ccc(c(n1)C)OC 34a_200009873766_200000210301 [1,1,0,0,0,0|2,0,0]=4 7008 B11R1.279 COc1ccc(c(n1)C)O[13CH3] 34a_200009873766_200025704644 [1,1,0,0,0,0|2,0,0]=4 7009 B11R1.279 COc1ccc(c(n1)C)SC 62a_100000766551_200000210301 [1,1,0,0,0,0|2,0,0]=4 7010 B11R1.279 COc1ccc(c(n1)C)SC 62a_200000210301_100000766551 [1,1,0,0,0,0|2,0,0]=4 7011 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_100000766551_200025704644 [1,1,0,0,0,0|2,0,0]=4 7012 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000766551 [1,1,0,0,0,0|2,0,0]=4 7013 B11R1.279 COc1ccc(c(n1)F)SC 62a_100010067559_200000210301 [1,1,0,0,0,0|2,0,0]=4 7014 B11R1.279 COc1ccc(c(n1)F)SC 62a_200000210301_100010067559 [1,1,0,0,0,0|2,0,0]=4 7015 B11R1.279 COc1ccc(c(n1)F)S[13CH3] 62a_100010067559_200025704644 [1,1,0,0,0,0|2,0,0]=4 7016 B11R1.279 COc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010067559 [1,1,0,0,0,0|2,0,0]=4 7017 B11R1.279 COc1ccc(c(n1)N)SC 62a_100010187629_200000210301 [1,1,0,0,0,0|2,0,0]=4 7018 B11R1.279 COc1ccc(c(n1)N)S[13CH3] 62a_100010187629_200025704644 [1,1,0,0,0,0|2,0,0]=4 7019 B11R1.279 COc1ccc(c(n1)O)CO 271570a_203496583355_100009885603 [1,1,0,0,0,0|2,0,0]=4 7020 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 7021 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 7022 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 7023 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 7024 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [1,1,0,0,0,0|1,0,0]=3 7025 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [1,1,0,0,0,0|1,0,0]=3 7026 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [1,1,0,0,0,0|1,0,0]=3 7027 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [1,1,0,0,0,0|1,0,0]=3 7028 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [1,1,0,0,0,0|1,0,0]=3 7029 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [1,1,0,0,0,0|1,0,0]=3 7030 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [1,1,0,0,0,0|1,0,0]=3 7031 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 7032 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 7033 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 7034 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|1,0,0]=3 7035 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|1,0,0]=3 7036 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|1,0,0]=3 7037 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|1,0,0]=3 7038 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|1,0,0]=3 7039 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|1,0,0]=3 7040 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|1,0,0]=3 7041 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|1,0,0]=3 7042 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|1,0,0]=3 7043 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|1,0,0]=3 7044 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 7045 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 7046 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [1,1,0,0,0,0|1,0,0]=3 7047 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [1,1,0,0,0,0|1,0,0]=3 7048 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [1,1,0,0,0,0|1,0,0]=3 7049 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [1,1,0,0,0,0|1,0,0]=3 7050 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [1,1,0,0,0,0|1,0,0]=3 7051 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [1,1,0,0,0,0|1,0,0]=3 7052 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [1,1,0,0,0,0|1,0,0]=3 7053 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [1,1,0,0,0,0|1,0,0]=3 7054 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 7055 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 7056 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|1,0,0]=3 7057 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [1,1,0,0,0,0|1,0,0]=3 7058 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [1,1,0,0,0,0|1,0,0]=3 7059 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [1,1,0,0,0,0|1,0,0]=3 7060 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [1,1,0,0,0,0|1,0,0]=3 7061 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [1,1,0,0,0,0|1,0,0]=3 7062 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [1,1,0,0,0,0|1,0,0]=3 7063 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [1,1,0,0,0,0|1,0,0]=3 7064 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [1,1,0,0,0,0|1,0,0]=3 7065 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 7066 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 7067 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [1,1,0,0,0,0|1,0,0]=3 7068 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [1,1,0,0,0,0|1,0,0]=3 7069 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [1,1,0,0,0,0|1,0,0]=3 7070 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 7071 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 7072 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,0]=3 7073 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [1,1,0,0,0,0|1,0,0]=3 7074 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [1,1,0,0,0,0|1,0,0]=3 7075 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [1,1,0,0,0,0|1,0,0]=3 7076 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [1,1,0,0,0,0|1,0,0]=3 7077 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 7078 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|1,0,1]=4 7079 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,0]=3 7080 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|1,0,0]=3 7081 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,0]=3 7082 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|1,0,0]=3 7083 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|1,0,0]=3 7084 B11R1.279 COc1ccc(nc1Br)CO 34a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 7085 B11R1.279 COc1ccc(nc1Br)CO 7a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 7086 B11R1.279 COc1ccc(nc1Br)SC 62a_100010214827_200000210301 [1,1,0,0,0,0|2,0,0]=4 7087 B11R1.279 COc1ccc(nc1Br)SC 62a_200000210301_100010214827 [1,1,0,0,0,0|2,0,0]=4 7088 B11R1.279 COc1ccc(nc1Br)S[13CH3] 62a_100010214827_200025704644 [1,1,0,0,0,0|2,0,0]=4 7089 B11R1.279 COc1ccc(nc1Br)S[13CH3] 62a_200025704644_100010214827 [1,1,0,0,0,0|2,0,0]=4 7090 B11R1.279 COc1ccc(nc1C)SC 62a_100010244750_200000210301 [1,1,0,0,0,0|2,0,0]=4 7091 B11R1.279 COc1ccc(nc1C)SC 62a_200000210301_100010244750 [1,1,0,0,0,0|2,0,0]=4 7092 B11R1.279 COc1ccc(nc1C)S[13CH3] 62a_100010244750_200025704644 [1,1,0,0,0,0|2,0,0]=4 7093 B11R1.279 COc1ccc(nc1C)S[13CH3] 62a_200025704644_100010244750 [1,1,0,0,0,0|2,0,0]=4 7094 B11R1.279 COc1ccc(nc1Cl)CO 34a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 7095 B11R1.279 COc1ccc(nc1Cl)CO 7a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 7096 B11R1.279 COc1ccc(nc1Cl)SC 62a_200000210301_100010233546 [1,1,0,0,0,0|2,0,0]=4 7097 B11R1.279 COc1ccc(nc1Cl)S[13CH3] 62a_200025704644_100010233546 [1,1,0,0,0,0|2,0,0]=4 7098 B11R1.279 COc1ccc(nc1F)SC 62a_100010138636_200000210301 [1,1,0,0,0,0|2,0,0]=4 7099 B11R1.279 COc1ccc(nc1F)SC 62a_200000210301_100010138636 [1,1,0,0,0,0|2,0,0]=4 7100 B11R1.279 COc1ccc(nc1F)S[13CH3] 62a_100010138636_200025704644 [1,1,0,0,0,0|2,0,0]=4 7101 B11R1.279 COc1ccc(nc1F)S[13CH3] 62a_200025704644_100010138636 [1,1,0,0,0,0|2,0,0]=4 7102 B11R1.279 COc1ccc(nc1N)SC 62a_100010192976_200000210301 [1,1,0,0,0,0|2,0,0]=4 7103 B11R1.279 COc1ccc(nc1N)S[13CH3] 62a_100010192976_200025704644 [1,1,0,0,0,0|2,0,0]=4 7104 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,1,0,0,0,0|2,0,0]=4 7105 B11R1.279 COc1cnc(c(c1)C)SC 62a_200000210301_200009851512 [1,1,0,0,0,0|2,0,0]=4 7106 B11R1.279 COc1cnc(c(c1)C)S[13CH3] 62a_200025704644_200009851512 [1,1,0,0,0,0|2,0,0]=4 7107 B11R1.279 COc1cnc(c(c1)N)SC 62a_100010074831_200000210301 [1,1,0,0,0,0|2,0,0]=4 7108 B11R1.279 COc1cnc(c(c1)N)SC 62a_200000210301_100010074831 [1,1,0,0,0,0|2,0,0]=4 7109 B11R1.279 COc1cnc(c(c1)N)S[13CH3] 62a_100010074831_200025704644 [1,1,0,0,0,0|2,0,0]=4 7110 B11R1.279 COc1cnc(c(c1)N)S[13CH3] 62a_200025704644_100010074831 [1,1,0,0,0,0|2,0,0]=4 7111 B11R1.279 COc1cnc(cc1N)SC 62a_100010896307_200000210301 [1,1,0,0,0,0|2,0,0]=4 7112 B11R1.279 COc1cnc(cc1N)SC 62a_200000210301_100010896307 [1,1,0,0,0,0|2,0,0]=4 7113 B11R1.279 COc1cnc(cc1N)S[13CH3] 62a_100010896307_200025704644 [1,1,0,0,0,0|2,0,0]=4 7114 B11R1.279 COc1cnc(cc1N)S[13CH3] 62a_200025704644_100010896307 [1,1,0,0,0,0|2,0,0]=4 7115 B11R1.279 COc1cnc(cc1O)SC 62a_200000210301_100010264082 [1,1,0,0,0,0|2,0,0]=4 7116 B11R1.279 COc1cnc(cc1O)S[13CH3] 62a_200025704644_100010264082 [1,1,0,0,0,0|2,0,0]=4 7117 B11R1.279 COc1coc(cc1=O)CCl 34a_100000010605_200000210301 [1,1,0,0,0,0|2,0,0]=4 7118 B11R1.279 COc1coc(cc1=O)CO 34a_100000211585_200000210301 [1,1,0,0,0,0|2,0,0]=4 7119 B11R1.279 COc1ncc(cc1Br)SC 62a_200000210301_200010988584 [1,1,0,0,0,0|2,0,0]=4 7120 B11R1.279 COc1ncc(cc1Br)SC 62a_200010988584_200000210301 [1,1,0,0,0,0|2,0,0]=4 7121 B11R1.279 COc1ncc(cc1Br)S[13CH3] 62a_200010988584_200025704644 [1,1,0,0,0,0|2,0,0]=4 7122 B11R1.279 COc1ncc(cc1Br)S[13CH3] 62a_200025704644_200010988584 [1,1,0,0,0,0|2,0,0]=4 7123 B11R1.279 COc1ncc(cc1C)SC 62a_100011290809_200000210301 [1,1,0,0,0,0|2,0,0]=4 7124 B11R1.279 COc1ncc(cc1C)SC 62a_200000210301_100011290809 [1,1,0,0,0,0|2,0,0]=4 7125 B11R1.279 COc1ncc(cc1C)S[13CH3] 62a_100011290809_200025704644 [1,1,0,0,0,0|2,0,0]=4 7126 B11R1.279 COc1ncc(cc1C)S[13CH3] 62a_200025704644_100011290809 [1,1,0,0,0,0|2,0,0]=4 7127 B11R1.279 COc1ncc(cc1F)SC 62a_100011880707_200000210301 [1,1,0,0,0,0|2,0,0]=4 7128 B11R1.279 COc1ncc(cc1F)SC 62a_200000210301_100011880707 [1,1,0,0,0,0|2,0,0]=4 7129 B11R1.279 COc1ncc(cc1F)S[13CH3] 62a_100011880707_200025704644 [1,1,0,0,0,0|2,0,0]=4 7130 B11R1.279 COc1ncc(cc1F)S[13CH3] 62a_200025704644_100011880707 [1,1,0,0,0,0|2,0,0]=4 7131 B11R1.279 COc1ncc(cc1N)SC 62a_100000748608_200000210301 [1,1,0,0,0,0|2,0,0]=4 7132 B11R1.279 COc1ncc(cc1N)SC 62a_200000210301_100000748608 [1,1,0,0,0,0|2,0,0]=4 7133 B11R1.279 COc1ncc(cc1N)S[13CH3] 62a_100000748608_200025704644 [1,1,0,0,0,0|2,0,0]=4 7134 B11R1.279 COc1ncc(cc1N)S[13CH3] 62a_200025704644_100000748608 [1,1,0,0,0,0|2,0,0]=4 7135 B11R1.279 COc1ncc(cc1O)SC 62a_200000210301_100010135713 [1,1,0,0,0,0|2,0,0]=4 7136 B11R1.279 COc1ncc(cc1O)S[13CH3] 62a_200025704644_100010135713 [1,1,0,0,0,0|2,0,0]=4 7137 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_100010240206_200000210301 [1,1,0,0,0,0|1,1,0]=4 7138 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_200000210301_100010240206 [1,1,0,0,0,0|1,1,0]=4 7139 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200000210301_200010711859 [1,1,0,0,0,0|1,1,0]=4 7140 B11R1.279 CSc1ccc(c(c1)C)CF 62a_200010711859_200000210301 [1,1,0,0,0,0|1,1,0]=4 7141 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [1,1,0,0,0,0|1,1,0]=4 7142 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [1,1,0,0,0,0|1,1,0]=4 7143 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|1,1,0]=4 7144 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|1,1,0]=4 7145 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_200000210301_206447510565 [1,1,0,0,0,0|1,1,0]=4 7146 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_206447510565_200000210301 [1,1,0,0,0,0|1,1,0]=4 7147 B11R1.279 CSc1ccc(c(c1)F)CN 62a_100000754580_200000210301 [1,1,0,0,0,0|1,1,0]=4 7148 B11R1.279 CSc1ccc(c(c1)F)CN 62a_200000210301_100000754580 [1,1,0,0,0,0|1,1,0]=4 7149 B11R1.279 CSc1ccc(c(c1)F)CO 62a_100011191541_200000210301 [1,1,0,0,0,0|1,1,0]=4 7150 B11R1.279 CSc1ccc(c(c1)F)CO 62a_200000210301_100011191541 [1,1,0,0,0,0|1,1,0]=4 7151 B11R1.279 CSc1ccc(c(c1)F)N[13CH3] 34a_100012056844_200025704644 [1,1,0,0,0,0|1,1,0]=4 7152 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100009816902_200000210301 [1,1,0,0,0,0|1,1,0]=4 7153 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100010161220_200000210301 [1,1,0,0,0,0|1,1,0]=4 7154 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100009816902 [1,1,0,0,0,0|1,1,0]=4 7155 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100010161220 [1,1,0,0,0,0|1,1,0]=4 7156 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_100009816902_200025704644 [1,1,0,0,0,0|1,1,0]=4 7157 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100009816902 [1,1,0,0,0,0|1,1,0]=4 7158 B11R1.279 CSc1ccc(c(c1)N)CO 62a_100000718831_200000210301 [1,1,0,0,0,0|1,1,0]=4 7159 B11R1.279 CSc1ccc(c(c1)N)CO 62a_200000210301_100000718831 [1,1,0,0,0,0|1,1,0]=4 7160 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|1,1,0]=4 7161 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|1,1,0]=4 7162 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,1,0,0,0,0|1,1,0]=4 7163 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,1,0,0,0,0|1,1,0]=4 7164 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,1,0,0,0,0|1,1,0]=4 7165 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,1,0,0,0,0|1,1,0]=4 7166 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,1,0,0,0,0|1,0,0]=3 7167 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [1,1,0,0,0,0|1,1,0]=4 7168 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [1,1,0,0,0,0|1,1,0]=4 7169 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_200025704644_206447510565 [1,1,0,0,0,0|1,1,0]=4 7170 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_206447510565_200025704644 [1,1,0,0,0,0|1,1,0]=4 7171 B11R1.279 CSc1ccc(cc1F)CN 62a_100000755036_200000210301 [1,1,0,0,0,0|1,1,0]=4 7172 B11R1.279 CSc1ccc(cc1F)CN 62a_200000210301_100000755036 [1,1,0,0,0,0|1,1,0]=4 7173 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [1,1,0,0,0,0|1,1,0]=4 7174 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [1,1,0,0,0,0|1,1,0]=4 7175 B11R1.279 CSc1ccc(cc1F)N[13CH3] 2230a_100000762756_200025704644 [1,1,0,0,0,0|1,1,0]=4 7176 B11R1.279 CSc1ccc(cc1F)N[13CH3] 34a_100000762756_200025704644 [1,1,0,0,0,0|1,1,0]=4 7177 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_100010161220_200025704644 [1,1,0,0,0,0|1,1,0]=4 7178 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_200025704644_100010161220 [1,1,0,0,0,0|1,1,0]=4 7179 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [1,1,0,0,0,0|1,1,0]=4 7180 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [1,1,0,0,0,0|1,1,0]=4 7181 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|1,1,0]=4 7182 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|1,1,0]=4 7183 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 7184 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 7185 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200010711859_200025704644 [1,1,0,0,0,0|1,1,0]=4 7186 B11R1.279 Cc1cc(ccc1CF)S[13CH3] 62a_200025704644_200010711859 [1,1,0,0,0,0|1,1,0]=4 7187 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [1,1,0,0,0,0|1,1,0]=4 7188 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [1,1,0,0,0,0|1,1,0]=4 7189 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 7190 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|1,1,0]=4 7191 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|1,1,0]=4 7192 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,1,0,0,0,0|2,0,0]=4 7193 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,1,0,0,0,0|2,0,0]=4 7194 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 7195 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 7196 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 7197 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|1,0,0]=3 7198 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,1,0,0,0,0|1,1,0]=4 7199 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,1,0,0,0,0|1,1,0]=4 7200 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,1,0,0,0,0|1,1,0]=4 7201 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,1,0,0,0,0|1,1,0]=4 7202 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [1,1,0,0,0,0|2,0,0]=4 7203 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 7204 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 7205 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 34a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 7206 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 7a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 7207 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 7208 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [1,1,0,0,0,0|1,0,0]=3 7209 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 34a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 7210 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 7a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 7211 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,0]=3 7212 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [1,1,0,0,0,0|1,0,0]=3 7213 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [1,1,0,0,0,0|1,0,0]=3 7214 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 34a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 7215 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 7a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 7216 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [1,1,0,0,0,0|1,0,0]=3 7217 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [1,1,0,0,0,0|1,0,0]=3 7218 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 7219 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 7220 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 7221 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 7222 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 7223 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 7224 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 7225 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 7226 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|1,0,0]=3 7227 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 7228 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 7229 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 7230 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 7231 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,0]=3 7232 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 34a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 7233 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 7a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 7234 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 34a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 7235 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 7a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 7236 B11R1.279 [13CH3]Oc1coc(cc1=O)CCl 34a_100000010605_200025704644 [1,1,0,0,0,0|2,0,0]=4 7237 B11R1.279 [13CH3]Oc1coc(cc1=O)CO 34a_100000211585_200025704644 [1,1,0,0,0,0|2,0,0]=4 7238 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_100010240206_200025704644 [1,1,0,0,0,0|1,1,0]=4 7239 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_200025704644_100010240206 [1,1,0,0,0,0|1,1,0]=4 7240 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_100000754580_200025704644 [1,1,0,0,0,0|1,1,0]=4 7241 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_200025704644_100000754580 [1,1,0,0,0,0|1,1,0]=4 7242 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_100011191541_200025704644 [1,1,0,0,0,0|1,1,0]=4 7243 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_200025704644_100011191541 [1,1,0,0,0,0|1,1,0]=4 7244 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_100000718831_200025704644 [1,1,0,0,0,0|1,1,0]=4 7245 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_200025704644_100000718831 [1,1,0,0,0,0|1,1,0]=4 7246 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|1,1,0]=4 7247 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|1,1,0]=4 7248 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [1,1,0,0,0,0|1,1,0]=4 7249 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [1,1,0,0,0,0|1,1,0]=4 7250 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_100000755036_200025704644 [1,1,0,0,0,0|1,1,0]=4 7251 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_200025704644_100000755036 [1,1,0,0,0,0|1,1,0]=4 7252 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [1,1,0,0,0,0|1,1,0]=4 7253 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [1,1,0,0,0,0|1,1,0]=4 7254 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [1,1,0,0,0,0|1,1,0]=4 7255 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [1,1,0,0,0,0|1,1,0]=4 7256 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|1,1,0]=4 7257 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|1,1,0]=4 7258 B11R1.124 C=C(C)c1ccc(s1)CCC 271570a_100000694244_100010157708 [0,1,0,0,1,0|2,0,0]=4 7259 B11R1.127 CC=Cc1ccc(s1)CCC 271570a_100016259895_100010157708 [0,1,0,0,1,0|2,0,0]=4 7260 B11R1.127 CCCc1ccc(s1)CNC 207a_100102657272_100000085172 [0,1,0,0,1,0|2,0,0]=4 7261 B11R1.127 CCCc1ccc(s1)CNC 270004a_106832991635_100000085172 [0,1,0,0,1,0|2,0,0]=4 7262 B11R1.127 CCCc1ccc(s1)SCC 62a_100000210202_100010157708 [0,1,0,0,1,0|1,1,0]=4 7263 B11R1.127 CCCc1ccc(s1)SCC 62a_100010157708_100000210202 [0,1,0,0,1,0|1,1,0]=4 7264 B11R1.127 CCCc1ccc(s1)SCF 62a_100010157708_100015361967 [0,1,0,0,1,0|1,1,0]=4 7265 B11R1.127 CCCc1ccc(s1)SCF 62a_100015361967_100010157708 [0,1,0,0,1,0|1,1,0]=4 7266 B11R1.127 CCCc1nc(cs1)COC 34a_100138415774_100000736013 [0,1,0,0,1,0|2,0,0]=4 7267 B11R1.127 CCSc1csc(c1)COC 62a_100000210202_100011542528 [0,1,0,0,1,0|2,0,0]=4 7268 B11R1.127 CCSc1csc(c1)COC 62a_100011542528_100000210202 [0,1,0,0,1,0|2,0,0]=4 7269 B11R1.127 CNCc1ccc(o1)COC 207a_100102657272_100000763659 [0,1,0,0,1,0|2,0,0]=4 7270 B11R1.127 CNCc1ccc(o1)COC 270004a_106832991635_100000763659 [0,1,0,0,1,0|2,0,0]=4 7271 B11R1.187 CCCc1cc(n(n1)C)OC 34a_200012396517_200000210301 [0,1,0,0,1,0|2,0,0]=4 7272 B11R1.187 CCCc1cc(n(n1)C)O[13CH3] 34a_200012396517_200025704644 [0,1,0,0,1,0|2,0,0]=4 7273 B11R1.214 CCCCc1ccc(s1)CC 271570a_100020621405_100009844052 [0,1,0,0,1,0|2,0,0]=4 7274 B11R1.214 CCCCc1cnc(s1)OC 271570a_100020621405_100000729428 [0,1,0,0,1,0|2,0,0]=4 7275 B11R1.214 CCCCc1csc(c1)CC 271570a_100020621405_100009846239 [0,1,0,0,1,0|2,0,0]=4 7276 B11R1.214 CCCCc1csc(c1)SC 271570a_100020621405_200010256830 [0,1,0,0,1,0|1,1,0]=4 7277 B11R1.214 CCCCc1csc(n1)OC 271570a_100020621405_100000727839 [0,1,0,0,1,0|2,0,0]=4 7278 B11R1.214 CCCSc1ccc(s1)CC 62a_100000210303_100009844052 [0,1,0,0,1,0|2,0,0]=4 7279 B11R1.214 CCCSc1ccc(s1)CC 62a_100009844052_100000210303 [0,1,0,0,1,0|2,0,0]=4 7280 B11R1.214 CCCSc1cnc(s1)OC 62a_100000210303_100000729428 [0,1,0,0,1,0|2,0,0]=4 7281 B11R1.214 CCCSc1cnc(s1)OC 62a_100000729428_100000210303 [0,1,0,0,1,0|2,0,0]=4 7282 B11R1.214 CCCSc1csc(c1)CC 62a_100000210303_100009846239 [0,1,0,0,1,0|2,0,0]=4 7283 B11R1.214 CCCSc1csc(c1)CC 62a_100009846239_100000210303 [0,1,0,0,1,0|2,0,0]=4 7284 B11R1.214 CCCSc1csc(c1)SC 62a_100000210303_200010256830 [0,1,0,0,1,0|1,1,0]=4 7285 B11R1.214 CCCSc1csc(c1)SC 62a_200010256830_100000210303 [0,1,0,0,1,0|1,1,0]=4 7286 B11R1.214 CCCSc1csc(n1)OC 62a_100000210303_100000727839 [0,1,0,0,1,0|2,0,0]=4 7287 B11R1.214 CCCSc1csc(n1)OC 62a_100000727839_100000210303 [0,1,0,0,1,0|2,0,0]=4 7288 B11R1.214 CCNCc1ccc(o1)CC 207a_100015525214_100000743199 [0,1,0,0,1,0|2,0,0]=4 7289 B11R1.214 CCNCc1ccc(o1)CC 270004a_100015525214_100000743199 [0,1,0,0,1,0|2,0,0]=4 7290 B11R1.214 CCNCc1ccc(s1)CC 207a_100015525214_100000746206 [0,1,0,0,1,0|2,0,0]=4 7291 B11R1.214 CCNCc1ccc(s1)CC 270004a_100015525214_100000746206 [0,1,0,0,1,0|2,0,0]=4 7292 B11R1.214 CCNCc1ccc(s1)SC 207a_100015525214_100000720245 [0,1,0,0,1,0|1,1,0]=4 7293 B11R1.214 CCNCc1ccc(s1)SC 270004a_100015525214_100000720245 [0,1,0,0,1,0|1,1,0]=4 7294 B11R1.214 CCOCc1cc(cs1)SC 62a_100011542529_200000210301 [0,1,0,0,1,0|1,1,0]=4 7295 B11R1.214 CCOCc1cc(cs1)SC 62a_200000210301_100011542529 [0,1,0,0,1,0|1,1,0]=4 7296 B11R1.214 CCOCc1cc(cs1)S[13CH3] 62a_100011542529_200025704644 [0,1,0,0,1,0|1,1,0]=4 7297 B11R1.214 CCOCc1cc(cs1)S[13CH3] 62a_200025704644_100011542529 [0,1,0,0,1,0|1,1,0]=4 7298 B13R1.4 C=Cc1ccc(cc1)CC(C)(F)F 271570a_100011290941_100010238340 [0,2,0,0,0,0|1,0,1]=4 7299 B13R1.4 CC(C)(C)Oc1ccc(cc1)N[13CH3] 2230a_100000760240_200025704644 [0,2,0,0,0,0|2,0,0]=4 7300 B13R1.4 CC(C)(C)Oc1ccc(cc1)N[13CH3] 34a_100000760240_200025704644 [0,2,0,0,0,0|2,0,0]=4 7301 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 34a_100000061920_200025704644 [0,2,0,0,0,0|1,0,0]=3 7302 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 7a_100000061920_200025704644 [0,2,0,0,0,0|1,0,0]=3 7303 B13R1.4 CC(C)(C)Oc1ccc(cc1)S[13CH3] 62a_100000701926_200025704644 [0,2,0,0,0,0|1,1,0]=4 7304 B13R1.4 CC(C)(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000701926 [0,2,0,0,0,0|1,1,0]=4 7305 B13R1.4 CC(C)(C)Sc1ccc(cc1)S[13CH3] 62a_200009816747_200025704644 [0,2,0,0,0,0|1,1,0]=4 7306 B13R1.4 CC(C)(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_200009816747 [0,2,0,0,0,0|1,1,0]=4 7307 B13R1.4 CC(F)(F)Cc1ccc(cc1)S[13CH3] 62a_100010238340_200025704644 [0,2,0,0,0,0|0,1,0]=3 7308 B13R1.4 CC(F)(F)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100010238340 [0,2,0,0,0,0|0,1,0]=3 7309 B13R1.4 CCc1ccc(cc1)NC(C)(C)C 34a_100000211069_100000210625 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.4 CCc1ccc(cc1)OC(C)(C)C 34a_100000211359_100000210625 [0,2,0,0,0,0|2,0,0]=4 7311 B13R1.4 CCc1ccc(cc1)SC(C)(C)C 62a_100000211941_100011215824 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.4 CCc1ccc(cc1)SC(C)(C)C 62a_100011215824_100000211941 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.4 CNc1ccc(cc1)CC(F)(F)F 2230a_100000081866_200000210301 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.4 CNc1ccc(cc1)CC(F)(F)F 34a_100000081866_200000210301 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.4 CNc1ccc(cc1)CS(=O)(=O)C 2230a_100000747337_200000210301 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.4 CNc1ccc(cc1)CS(=O)(=O)C 34a_100000747337_200000210301 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.4 CNc1ccc(cc1)OC(C)(C)C 2230a_100000760240_200000210301 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.4 CNc1ccc(cc1)OC(C)(C)C 34a_100000182112_100000210625 [0,2,0,0,0,0|2,0,0]=4 7319 B13R1.4 CNc1ccc(cc1)OC(C)(C)C 34a_100000760240_200000210301 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.4 CNc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000743151 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.4 CNc1ccc(cc1)SC(C)(C)C 62a_100000743151_100000211941 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.4 COc1ccc(cc1)NC(C)(C)C 34a_100000184247_100000210625 [0,2,0,0,0,0|1,0,0]=3 7323 B13R1.4 COc1ccc(cc1)NC(F)(F)F 34a_100000184247_200103152311 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 34a_100000165719_200000210301 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 40a_100000184247_100000738038 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000061920_200000210301 [0,2,0,0,0,0|1,0,0]=3 7327 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000210503_100000210625 [0,2,0,0,0,0|1,0,0]=3 7328 B13R1.4 COc1ccc(cc1)OC(C)(C)C 7a_100000061920_200000210301 [0,2,0,0,0,0|1,0,0]=3 7329 B13R1.4 COc1ccc(cc1)OC(F)(F)F 34a_100000210503_200103152311 [0,2,0,0,0,0|2,0,0]=4 7330 B13R1.4 COc1ccc(cc1)OC(F)(F)F 34a_100000763300_200000210301 [0,2,0,0,0,0|2,0,0]=4 7331 B13R1.4 COc1ccc(cc1)OC(F)(F)F 7a_100000763300_200000210301 [0,2,0,0,0,0|2,0,0]=4 7332 B13R1.4 COc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000171711 [0,2,0,0,0,0|1,0,0]=3 7333 B13R1.4 COc1ccc(cc1)SC(F)(F)F 34a_100000728081_200000210301 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.4 COc1ccc(cc1)SC(F)(F)F 62a_200000243211_100000171711 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.4 COc1ccc(cn1)OC(C)(C)C 34a_100011934560_100000210625 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.4 COc1ccc(cn1)SC(C)(C)C 62a_100000047065_100000211941 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.4 COc1ccc(cn1)SC(C)(C)C 62a_100000211941_100000047065 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.4 COc1ccc(nc1)OC(C)(C)C 34a_100012002028_100000210625 [0,2,0,0,0,0|2,0,0]=4 7339 B13R1.4 COc1ccc(nc1)SC(C)(C)C 62a_100000211941_100000744180 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.4 COc1ccc(nc1)SC(C)(C)C 62a_100000755202_100000211941 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000747337_200025704644 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)N[13CH3] 34a_100000747337_200025704644 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)S[13CH3] 62a_100009814647_200025704644 [0,2,0,0,0,0|1,1,0]=4 7344 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100009814647 [0,2,0,0,0,0|1,1,0]=4 7345 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)O[13CH3] 34a_100000165719_200025704644 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.4 CSc1ccc(cc1)CC(C)(F)F 62a_100010238340_200000210301 [0,2,0,0,0,0|0,1,0]=3 7347 B13R1.4 CSc1ccc(cc1)CC(C)(F)F 62a_200000210301_100010238340 [0,2,0,0,0,0|0,1,0]=3 7348 B13R1.4 CSc1ccc(cc1)CC(F)(F)F 62a_100000723781_200000210301 [0,2,0,0,0,0|1,1,0]=4 7349 B13R1.4 CSc1ccc(cc1)CC(F)(F)F 62a_200000210301_100000723781 [0,2,0,0,0,0|1,1,0]=4 7350 B13R1.4 CSc1ccc(cc1)CS(=O)(=O)C 62a_100009814647_200000210301 [0,2,0,0,0,0|1,1,0]=4 7351 B13R1.4 CSc1ccc(cc1)CS(=O)(=O)C 62a_200000210301_100009814647 [0,2,0,0,0,0|1,1,0]=4 7352 B13R1.4 CSc1ccc(cc1)C[Si](C)(C)C 62a_100009813299_200000210301 [0,2,0,0,0,0|0,2,0]=4 7353 B13R1.4 CSc1ccc(cc1)C[Si](C)(C)C 62a_200000210301_100009813299 [0,2,0,0,0,0|0,2,0]=4 7354 B13R1.4 CSc1ccc(cc1)NC(C)(C)C 34a_100000212337_100000210625 [0,2,0,0,0,0|1,1,0]=4 7355 B13R1.4 CSc1ccc(cc1)OC(C)(C)C 34a_100000211864_100000210625 [0,2,0,0,0,0|1,1,0]=4 7356 B13R1.4 CSc1ccc(cc1)OC(C)(C)C 62a_100000701926_200000210301 [0,2,0,0,0,0|1,1,0]=4 7357 B13R1.4 CSc1ccc(cc1)OC(C)(C)C 62a_200000210301_100000701926 [0,2,0,0,0,0|1,1,0]=4 7358 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_100000211941_100011263217 [0,2,0,0,0,0|1,1,0]=4 7359 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_100011263217_100000211941 [0,2,0,0,0,0|1,1,0]=4 7360 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_200000210301_200009816747 [0,2,0,0,0,0|1,1,0]=4 7361 B13R1.4 CSc1ccc(cc1)SC(C)(C)C 62a_200009816747_200000210301 [0,2,0,0,0,0|1,1,0]=4 7362 B13R1.4 C[Si](C)(C)Cc1ccc(cc1)S[13CH3] 62a_100009813299_200025704644 [0,2,0,0,0,0|0,2,0]=4 7363 B13R1.4 C[Si](C)(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100009813299 [0,2,0,0,0,0|0,2,0]=4 7364 B13R1.4 [13CH3]Nc1ccc(cc1)CC(F)(F)F 2230a_100000081866_200025704644 [0,2,0,0,0,0|2,0,0]=4 7365 B13R1.4 [13CH3]Nc1ccc(cc1)CC(F)(F)F 34a_100000081866_200025704644 [0,2,0,0,0,0|2,0,0]=4 7366 B13R1.4 [13CH3]Oc1ccc(cc1)OC(F)(F)F 34a_100000763300_200025704644 [0,2,0,0,0,0|2,0,0]=4 7367 B13R1.4 [13CH3]Oc1ccc(cc1)OC(F)(F)F 7a_100000763300_200025704644 [0,2,0,0,0,0|2,0,0]=4 7368 B13R1.4 [13CH3]Oc1ccc(cc1)SC(F)(F)F 34a_100000728081_200025704644 [0,2,0,0,0,0|2,0,0]=4 7369 B13R1.4 [13CH3]Sc1ccc(cc1)CC(F)(F)F 62a_100000723781_200025704644 [0,2,0,0,0,0|1,1,0]=4 7370 B13R1.4 [13CH3]Sc1ccc(cc1)CC(F)(F)F 62a_200025704644_100000723781 [0,2,0,0,0,0|1,1,0]=4 7371 B13R1.5 C#CC(C)Nc1ccc(cc1)CC 34a_100000211069_200000035995 [0,2,0,0,0,0|2,0,0]=4 7372 B13R1.5 C#CC(C)Nc1ccc(cc1)OC 34a_100000184247_200000035995 [0,2,0,0,0,0|1,0,0]=3 7373 B13R1.5 C#CC(C)Nc1ccc(cc1)SC 34a_100000212337_200000035995 [0,2,0,0,0,0|1,1,0]=4 7374 B13R1.5 C#CC(C)Oc1ccc(cc1)CC 34a_100000211359_200000035995 [0,2,0,0,0,0|2,0,0]=4 7375 B13R1.5 C#CC(C)Oc1ccc(cc1)NC 34a_100000182112_200000035995 [0,2,0,0,0,0|2,0,0]=4 7376 B13R1.5 C#CC(C)Oc1ccc(cc1)OC 34a_100000210503_200000035995 [0,2,0,0,0,0|1,0,0]=3 7377 B13R1.5 C#CC(C)Oc1ccc(cc1)SC 34a_100000211864_200000035995 [0,2,0,0,0,0|1,1,0]=4 7378 B13R1.5 C#CC(C)Oc1ccc(cn1)OC 34a_100012002028_200000035995 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.5 C#CC(C)Oc1ccc(nc1)OC 34a_100011934560_200000035995 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.5 C#CC(C)Sc1ccc(cc1)CC 62a_200000035995_100011215824 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.5 C#CC(C)Sc1ccc(cc1)NC 62a_200000035995_100000743151 [0,2,0,0,0,0|2,0,0]=4 7382 B13R1.5 C#CC(C)Sc1ccc(cc1)OC 62a_200000035995_100000171711 [0,2,0,0,0,0|1,0,0]=3 7383 B13R1.5 C#CC(C)Sc1ccc(cc1)SC 62a_200000035995_100011263217 [0,2,0,0,0,0|1,1,0]=4 7384 B13R1.5 C#CC(C)Sc1ccc(cn1)OC 62a_200000035995_100000744180 [0,2,0,0,0,0|2,0,0]=4 7385 B13R1.5 C#CC(C)Sc1ccc(nc1)OC 62a_200000035995_100000047065 [0,2,0,0,0,0|2,0,0]=4 7386 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000140223 [0,2,0,0,0,0|1,0,1]=4 7387 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_200009884166_100000210202 [0,2,0,0,0,0|1,0,1]=4 7388 B13R1.5 C#Cc1ccc(cc1)CN(C)CC 2230a_100000225621_100000140223 [0,2,0,0,0,0|1,0,1]=4 7389 B13R1.5 C#Cc1ccc(cc1)CN(C)CC 269982a_100000225621_100000140223 [0,2,0,0,0,0|1,0,1]=4 7390 B13R1.5 C#Cc1ccc(cc1)NC(C)CC 34a_100011215031_100011215416 [0,2,0,0,0,0|1,0,1]=4 7391 B13R1.5 C=CC(C)Sc1ccc(cc1)CC 62a_100011215867_100011215824 [0,2,0,0,0,0|2,0,0]=4 7392 B13R1.5 C=CC(C)Sc1ccc(cc1)NC 62a_100011215867_100000743151 [0,2,0,0,0,0|2,0,0]=4 7393 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,2,0,0,0,0|1,0,0]=3 7394 B13R1.5 C=CC(C)Sc1ccc(cc1)SC 62a_100011215867_100011263217 [0,2,0,0,0,0|1,1,0]=4 7395 B13R1.5 C=CC(C)Sc1ccc(cn1)OC 62a_100011215867_100000744180 [0,2,0,0,0,0|2,0,0]=4 7396 B13R1.5 C=CC(C)Sc1ccc(nc1)OC 62a_100011215867_100000047065 [0,2,0,0,0,0|2,0,0]=4 7397 B13R1.5 C=Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000034074 [0,2,0,0,0,0|1,0,1]=4 7398 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 2230a_100000225621_100000034074 [0,2,0,0,0,0|1,0,1]=4 7399 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 269982a_100000225621_100000034074 [0,2,0,0,0,0|1,0,1]=4 7400 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 26a_100000225621_100000189437 [0,2,0,0,0,0|1,0,1]=4 7401 B13R1.5 C=Cc1ccc(cc1)NC(C)CC 34a_100011218248_100011215416 [0,2,0,0,0,0|1,0,1]=4 7402 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 34a_100000189437_100011215416 [0,2,0,0,0,0|1,0,1]=4 7403 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 7a_100000189437_100000758301 [0,2,0,0,0,0|1,0,1]=4 7404 B13R1.5 C=Cc1ccc(cc1)SC(C)CC 62a_100000748128_100000758301 [0,2,0,0,0,0|1,0,1]=4 7405 B13R1.5 C=Cc1ccc(cc1)SC(C)CC 62a_100000758301_100000748128 [0,2,0,0,0,0|1,0,1]=4 7406 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000210414_100000184898 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_100000210202 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.5 CCC(=O)Cc1ccc(cc1)C=O 1458a_100000210414_100000075337 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,2,0,0,0,0|1,0,0]=3 7410 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,2,0,0,0,0|1,0,0]=3 7411 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,2,0,0,0,0|2,0,0]=4 7412 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,2,0,0,0,0|2,0,0]=4 7413 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,2,0,0,0,0|0,0,0]=2 7414 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,2,0,0,0,0|0,1,0]=3 7415 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,2,0,0,0,0|0,1,0]=3 7416 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,2,0,0,0,0|1,0,0]=3 7417 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,2,0,0,0,0|1,0,0]=3 7418 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,2,0,0,0,0|1,0,0]=3 7419 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,2,0,0,0,0|1,0,0]=3 7420 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,2,0,0,0,0|1,0,1]=4 7421 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,2,0,0,0,0|1,0,1]=4 7422 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,2,0,0,0,0|1,0,1]=4 7423 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,2,0,0,0,0|1,0,1]=4 7424 B13R1.5 CCC(=O)Nc1ccc(cc1)NC 34a_100000186511_200000210301 [0,2,0,0,0,0|1,0,1]=4 7425 B13R1.5 CCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000186511_200025704644 [0,2,0,0,0,0|1,0,1]=4 7426 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,2,0,0,0,0|0,0,1]=3 7427 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,2,0,0,0,0|0,0,1]=3 7428 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,2,0,0,0,0|0,0,1]=3 7429 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,2,0,0,0,0|0,0,1]=3 7430 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,2,0,0,0,0|0,0,1]=3 7431 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,2,0,0,0,0|0,0,1]=3 7432 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,2,0,0,0,0|0,0,1]=3 7433 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,2,0,0,0,0|0,0,1]=3 7434 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210414 [0,2,0,0,0,0|0,1,1]=4 7435 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210414 [0,2,0,0,0,0|0,1,1]=4 7436 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210414 [0,2,0,0,0,0|0,1,1]=4 7437 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,2,0,0,0,0|0,1,1]=4 7438 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,2,0,0,0,0|0,1,1]=4 7439 B13R1.5 CCC(C)Nc1ccc(cc1)C#N 34a_100000185469_100011215416 [0,2,0,0,0,0|2,0,0]=4 7440 B13R1.5 CCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000758301 [0,2,0,0,0,0|2,0,0]=4 7441 B13R1.5 CCC(C)Nc1ccc(cc1)CO 34a_100011215238_100011215416 [0,2,0,0,0,0|2,0,0]=4 7442 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,2,0,0,0,0|0,0,0]=2 7443 B13R1.5 CCC(C)Nc1ccc(cc1)SC 34a_100000212337_100011215416 [0,2,0,0,0,0|0,1,0]=3 7444 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 34a_100000210344_100011215416 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000758301 [0,2,0,0,0,0|2,0,0]=4 7446 B13R1.5 CCC(C)Oc1ccc(cc1)CN 34a_100000185549_100011215416 [0,2,0,0,0,0|2,0,0]=4 7447 B13R1.5 CCC(C)Oc1ccc(cc1)CO 34a_100000211755_100011215416 [0,2,0,0,0,0|2,0,0]=4 7448 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000182112_100011215416 [0,2,0,0,0,0|1,0,0]=3 7449 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000743956_200000210301 [0,2,0,0,0,0|1,0,0]=3 7450 B13R1.5 CCC(C)Oc1ccc(cc1)NC 7a_100000743956_200000210301 [0,2,0,0,0,0|1,0,0]=3 7451 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 34a_100000743956_200025704644 [0,2,0,0,0,0|1,0,0]=3 7452 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 7a_100000743956_200025704644 [0,2,0,0,0,0|1,0,0]=3 7453 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,2,0,0,0,0|0,0,0]=2 7454 B13R1.5 CCC(C)Oc1ccc(cc1)SC 34a_100000211864_100011215416 [0,2,0,0,0,0|0,1,0]=3 7455 B13R1.5 CCC(C)Oc1ccc(cn1)OC 34a_100012002028_100011215416 [0,2,0,0,0,0|1,0,0]=3 7456 B13R1.5 CCC(C)Oc1ccc(nc1)OC 34a_100011934560_100011215416 [0,2,0,0,0,0|1,0,0]=3 7457 B13R1.5 CCC(C)Oc1cnc(nc1)OC 34a_100000099601_100011215416 [0,2,0,0,0,0|2,0,0]=4 7458 B13R1.5 CCC(C)Oc1cnc(nc1)OC 7a_100000099601_100000758301 [0,2,0,0,0,0|2,0,0]=4 7459 B13R1.5 CCC(C)Sc1ccc(cc1)C#N 62a_100000758301_100000184291 [0,2,0,0,0,0|2,0,0]=4 7460 B13R1.5 CCC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000758301 [0,2,0,0,0,0|2,0,0]=4 7461 B13R1.5 CCC(C)Sc1ccc(cc1)C=O 62a_100000758301_100000188517 [0,2,0,0,0,0|2,0,0]=4 7462 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100000758301_100010268989 [0,2,0,0,0,0|2,0,0]=4 7463 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100010268989_100000758301 [0,2,0,0,0,0|2,0,0]=4 7464 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100000758301_100016989417 [0,2,0,0,0,0|2,0,0]=4 7465 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100016989417_100000758301 [0,2,0,0,0,0|2,0,0]=4 7466 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000690907_100000758301 [0,2,0,0,0,0|2,0,0]=4 7467 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000758301_100000690907 [0,2,0,0,0,0|2,0,0]=4 7468 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000743151_100000758301 [0,2,0,0,0,0|1,0,0]=3 7469 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000758301_100000743151 [0,2,0,0,0,0|1,0,0]=3 7470 B13R1.5 CCC(C)Sc1ccc(cc1)NN 62a_100000758301_100016988836 [0,2,0,0,0,0|2,0,0]=4 7471 B13R1.5 CCC(C)Sc1ccc(cc1)NN 62a_100016988836_100000758301 [0,2,0,0,0,0|2,0,0]=4 7472 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,2,0,0,0,0|0,0,0]=2 7473 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100000758301_100011263217 [0,2,0,0,0,0|0,1,0]=3 7474 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100011263217_100000758301 [0,2,0,0,0,0|0,1,0]=3 7475 B13R1.5 CCC(C)Sc1ccc(cn1)NC 62a_100000758301_100000764248 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.5 CCC(C)Sc1ccc(cn1)NC 62a_100000764248_100000758301 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.5 CCC(C)Sc1ccc(cn1)OC 62a_100000755202_100000758301 [0,2,0,0,0,0|1,0,0]=3 7478 B13R1.5 CCC(C)Sc1ccc(cn1)OC 62a_100000758301_100000744180 [0,2,0,0,0,0|1,0,0]=3 7479 B13R1.5 CCC(C)Sc1ccc(cn1)SC 62a_100000758301_100009820866 [0,2,0,0,0,0|1,1,0]=4 7480 B13R1.5 CCC(C)Sc1ccc(cn1)SC 62a_100009820866_100000758301 [0,2,0,0,0,0|1,1,0]=4 7481 B13R1.5 CCC(C)Sc1ccc(nc1)NC 62a_100000741341_100000758301 [0,2,0,0,0,0|2,0,0]=4 7482 B13R1.5 CCC(C)Sc1ccc(nc1)NC 62a_100000758301_100000741341 [0,2,0,0,0,0|2,0,0]=4 7483 B13R1.5 CCC(C)Sc1ccc(nc1)OC 62a_100000047065_100000758301 [0,2,0,0,0,0|1,0,0]=3 7484 B13R1.5 CCC(C)Sc1ccc(nc1)OC 62a_100000758301_100000047065 [0,2,0,0,0,0|1,0,0]=3 7485 B13R1.5 CCC(C)Sc1ccc(nc1)SC 62a_100000758301_100011408404 [0,2,0,0,0,0|1,1,0]=4 7486 B13R1.5 CCC(C)Sc1ccc(nc1)SC 62a_100011408404_100000758301 [0,2,0,0,0,0|1,1,0]=4 7487 B13R1.5 CCC(C)Sc1ccc(nn1)OC 62a_100000758301_100009819040 [0,2,0,0,0,0|2,0,0]=4 7488 B13R1.5 CCC(C)Sc1ccc(nn1)OC 62a_100009819040_100000758301 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.5 CCC(C)Sc1cnc(cn1)OC 62a_100000758301_100011998698 [0,2,0,0,0,0|2,0,0]=4 7490 B13R1.5 CCC(C)Sc1cnc(cn1)OC 62a_100011998698_100000758301 [0,2,0,0,0,0|2,0,0]=4 7491 B13R1.5 CCC(C)Sc1cnc(nc1)OC 62a_100000686852_100000758301 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.5 CCC(C)Sc1cnc(nc1)OC 62a_100000758301_100000686852 [0,2,0,0,0,0|2,0,0]=4 7493 B13R1.5 CCC(C)Sc1ncc(cn1)OC 62a_100000069167_100000758301 [0,2,0,0,0,0|2,0,0]=4 7494 B13R1.5 CCC(C)Sc1ncc(cn1)OC 62a_100000758301_100000069167 [0,2,0,0,0,0|2,0,0]=4 7495 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 2230a_100000217971_100000210202 [0,2,0,0,0,0|2,0,0]=4 7496 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 2230a_100000225621_100000184898 [0,2,0,0,0,0|2,0,0]=4 7497 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 269982a_100000217971_100000204670 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 269982a_100000225621_100000184898 [0,2,0,0,0,0|2,0,0]=4 7499 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 26a_100000225621_100000210344 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 34a_100000217971_100000210202 [0,2,0,0,0,0|2,0,0]=4 7501 B13R1.5 CCN(C)Cc1ccc(cc1)C=O 2230a_100000225621_100009816848 [0,2,0,0,0,0|2,0,0]=4 7502 B13R1.5 CCN(C)Cc1ccc(cc1)C=O 269982a_100000225621_100009816848 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.5 CCN(C)Cc1ccc(cc1)CO 2230a_100000225621_100000067286 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.5 CCN(C)Cc1ccc(cc1)CO 269982a_100000225621_100000067286 [0,2,0,0,0,0|2,0,0]=4 7505 B13R1.5 CCN(C)Cc1ccc(cc1)CO 26a_100000225621_100000211755 [0,2,0,0,0,0|2,0,0]=4 7506 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000210202 [0,2,0,0,0,0|0,0,0]=2 7507 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000225621_100000742318 [0,2,0,0,0,0|0,0,0]=2 7508 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000741509_200000210301 [0,2,0,0,0,0|0,0,0]=2 7509 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000204670 [0,2,0,0,0,0|0,0,0]=2 7510 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000225621_100000742318 [0,2,0,0,0,0|0,0,0]=2 7511 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000741509_200000210301 [0,2,0,0,0,0|0,0,0]=2 7512 B13R1.5 CCN(C)Cc1ccc(cc1)OC 26a_100000225621_100000210503 [0,2,0,0,0,0|0,0,0]=2 7513 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2230a_100000225621_100000181263 [0,2,0,0,0,0|0,1,0]=3 7514 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2230a_100015183344_200000210301 [0,2,0,0,0,0|0,1,0]=3 7515 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2230a_102495365258_100000210202 [0,2,0,0,0,0|0,1,0]=3 7516 B13R1.5 CCN(C)Cc1ccc(cc1)SC 269982a_100000225621_100011934452 [0,2,0,0,0,0|0,1,0]=3 7517 B13R1.5 CCN(C)Cc1ccc(cc1)SC 269982a_100015183344_200000210301 [0,2,0,0,0,0|0,1,0]=3 7518 B13R1.5 CCN(C)Cc1ccc(cc1)SC 269982a_102495365258_100000204670 [0,2,0,0,0,0|0,1,0]=3 7519 B13R1.5 CCN(C)Cc1ccc(cc1)SC 26a_100000225621_100000211864 [0,2,0,0,0,0|0,1,0]=3 7520 B13R1.5 CCN(C)Cc1ccc(cn1)OC 2230a_100000225621_200000757186 [0,2,0,0,0,0|1,0,0]=3 7521 B13R1.5 CCN(C)Cc1ccc(cn1)OC 269982a_100000225621_200000757186 [0,2,0,0,0,0|1,0,0]=3 7522 B13R1.5 CCN(C)Cc1ccc(nc1)OC 2230a_100000225621_100020631284 [0,2,0,0,0,0|1,0,0]=3 7523 B13R1.5 CCN(C)Cc1ccc(nc1)OC 269982a_100000225621_100020631284 [0,2,0,0,0,0|1,0,0]=3 7524 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 2230a_100000741509_200025704644 [0,2,0,0,0,0|0,0,0]=2 7525 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 269982a_100000741509_200025704644 [0,2,0,0,0,0|0,0,0]=2 7526 B13R1.5 CCN([13CH3])Cc1ccc(cc1)SC 2230a_100015183344_200025704644 [0,2,0,0,0,0|0,1,0]=3 7527 B13R1.5 CCN([13CH3])Cc1ccc(cc1)SC 269982a_100015183344_200025704644 [0,2,0,0,0,0|0,1,0]=3 7528 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,2,0,0,0,0|1,0,1]=4 7529 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,2,0,0,0,0|1,0,1]=4 7530 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,2,0,0,0,0|1,0,1]=4 7531 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 7532 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 7533 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 7534 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100000225621_100000747183 [0,2,0,0,0,0|1,0,0]=3 7535 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100000683253_100000210202 [0,2,0,0,0,0|1,0,0]=3 7536 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100015187470_200000210301 [0,2,0,0,0,0|1,0,0]=3 7537 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100000225621_100000747183 [0,2,0,0,0,0|1,0,0]=3 7538 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100000683253_100000204670 [0,2,0,0,0,0|1,0,0]=3 7539 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100015187470_200000210301 [0,2,0,0,0,0|1,0,0]=3 7540 B13R1.5 CCc1ccc(cc1)CN(C)CC 26a_100000225621_100000211359 [0,2,0,0,0,0|1,0,0]=3 7541 B13R1.5 CCc1ccc(cc1)CN(C)CF 269982a_100000683253_100015361967 [0,2,0,0,0,0|2,0,0]=4 7542 B13R1.5 CCc1ccc(cc1)CN([13CH3])CC 2230a_100015187470_200025704644 [0,2,0,0,0,0|1,0,0]=3 7543 B13R1.5 CCc1ccc(cc1)CN([13CH3])CC 269982a_100015187470_200025704644 [0,2,0,0,0,0|1,0,0]=3 7544 B13R1.5 CCc1ccc(cc1)NC(C)C#N 2230a_100000211069_100000184139 [0,2,0,0,0,0|2,0,0]=4 7545 B13R1.5 CCc1ccc(cc1)NC(C)CC 2230a_100000211069_100000758301 [0,2,0,0,0,0|1,0,0]=3 7546 B13R1.5 CCc1ccc(cc1)NC(C)CC 34a_100000211069_100011215416 [0,2,0,0,0,0|1,0,0]=3 7547 B13R1.5 CCc1ccc(cc1)NC(C)CO 2230a_100000211069_100012180447 [0,2,0,0,0,0|2,0,0]=4 7548 B13R1.5 CCc1ccc(cc1)NC(C)CO 34a_100000211069_100012180447 [0,2,0,0,0,0|2,0,0]=4 7549 B13R1.5 CCc1ccc(cc1)OC(C)C#N 7a_100000211359_100000703298 [0,2,0,0,0,0|2,0,0]=4 7550 B13R1.5 CCc1ccc(cc1)OC(C)CC 34a_100000211359_100011215416 [0,2,0,0,0,0|1,0,0]=3 7551 B13R1.5 CCc1ccc(cc1)OC(C)CC 7a_100000211359_100000758301 [0,2,0,0,0,0|1,0,0]=3 7552 B13R1.5 CCc1ccc(cc1)OC(C)CO 34a_100000211359_100012180447 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.5 CCc1ccc(cc1)OC(C)CO 7a_100000211359_100012180447 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100000703298_100011215824 [0,2,0,0,0,0|2,0,0]=4 7555 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100011215824_100000703298 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100000758301_100011215824 [0,2,0,0,0,0|1,0,0]=3 7557 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100011215824_100000758301 [0,2,0,0,0,0|1,0,0]=3 7558 B13R1.5 CCc1ccc(cc1)SC(C)CO 62a_100012180447_100011215824 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100009879195_100011215824 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100011215824_100009879195 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100011215824_100016084084 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011215824 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.5 CCc1ccc(cn1)SC(C)CC 62a_100000758301_100009820025 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.5 CCc1ccc(cn1)SC(C)CC 62a_100009820025_100000758301 [0,2,0,0,0,0|2,0,0]=4 7565 B13R1.5 CCc1ccc(nc1)SC(C)CC 62a_100000758301_100009843584 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.5 CCc1ccc(nc1)SC(C)CC 62a_100009843584_100000758301 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,2,0,0,0,0|1,0,1]=4 7568 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,2,0,0,0,0|1,0,1]=4 7569 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,2,0,0,0,0|1,0,1]=4 7570 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,2,0,0,0,0|1,0,1]=4 7571 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,2,0,0,0,0|0,0,1]=3 7572 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,2,0,0,0,0|0,0,1]=3 7573 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,2,0,0,0,0|0,0,1]=3 7574 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,2,0,0,0,0|0,0,1]=3 7575 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,2,0,0,0,0|0,0,1]=3 7576 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,2,0,0,0,0|0,1,1]=4 7577 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,2,0,0,0,0|0,1,1]=4 7578 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,2,0,0,0,0|0,1,1]=4 7579 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,2,0,0,0,0|0,1,1]=4 7580 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,2,0,0,0,0|0,1,1]=4 7581 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,2,0,0,0,0|0,1,1]=4 7582 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,2,0,0,0,0|0,1,1]=4 7583 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,2,0,0,0,0|0,1,1]=4 7584 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,2,0,0,0,0|1,0,1]=4 7585 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,2,0,0,0,0|1,0,1]=4 7586 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,2,0,0,0,0|1,0,1]=4 7587 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,2,0,0,0,0|1,0,1]=4 7588 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,2,0,0,0,0|1,0,1]=4 7589 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,2,0,0,0,0|1,0,1]=4 7590 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,2,0,0,0,0|1,0,1]=4 7591 B13R1.5 CNC(C)Cc1ccc(cc1)C#N 270004a_106832991635_200011996569 [0,2,0,0,0,0|2,0,0]=4 7592 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,2,0,0,0,0|0,0,0]=2 7593 B13R1.5 CNc1ccc(cc1)OC(C)CO 34a_100000182112_100012180447 [0,2,0,0,0,0|2,0,0]=4 7594 B13R1.5 CNc1ccc(cc1)SC(C)C#N 62a_100000703298_100000743151 [0,2,0,0,0,0|2,0,0]=4 7595 B13R1.5 CNc1ccc(cc1)SC(C)C#N 62a_100000743151_100000703298 [0,2,0,0,0,0|2,0,0]=4 7596 B13R1.5 CNc1ccc(cc1)SC(C)CO 62a_100012180447_100000743151 [0,2,0,0,0,0|2,0,0]=4 7597 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100000743151_100009879195 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100009879195_100000743151 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100000743151_100016084084 [0,2,0,0,0,0|2,0,0]=4 7600 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000743151 [0,2,0,0,0,0|2,0,0]=4 7601 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,2,0,0,0,0|0,0,1]=3 7602 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,2,0,0,0,0|0,0,1]=3 7603 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,2,0,0,0,0|0,1,1]=4 7604 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,2,0,0,0,0|0,1,1]=4 7605 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,2,0,0,0,0|0,1,1]=4 7606 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,2,0,0,0,0|0,1,1]=4 7607 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,2,0,0,0,0|1,0,1]=4 7608 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,2,0,0,0,0|1,0,1]=4 7609 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100009879195_100011263217 [0,2,0,0,0,0|1,1,0]=4 7610 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100011263217_100009879195 [0,2,0,0,0,0|1,1,0]=4 7611 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,2,0,0,0,0|0,0,1]=3 7612 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,2,0,0,0,0|1,0,1]=4 7613 B13R1.5 COc1ccc(cc1)CN(C)CF 269982a_100000184145_100015361967 [0,2,0,0,0,0|1,0,0]=3 7614 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,2,0,0,0,0|0,0,0]=2 7615 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,2,0,0,0,0|1,0,1]=4 7616 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,2,0,0,0,0|1,0,1]=4 7617 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,2,0,0,0,0|1,0,1]=4 7618 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,2,0,0,0,0|1,0,0]=3 7619 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,2,0,0,0,0|1,0,0]=3 7620 B13R1.5 COc1ccc(cc1)SC(C)C#N 62a_100000703298_100000171711 [0,2,0,0,0,0|1,0,0]=3 7621 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,2,0,0,0,0|1,0,0]=3 7622 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,2,0,0,0,0|1,0,0]=3 7623 B13R1.5 COc1ccc(cc1)SC(F)C#N 62a_200000117898_100000171711 [0,2,0,0,0,0|1,0,1]=4 7624 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,2,0,0,0,0|1,0,0]=3 7625 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,2,0,0,0,0|1,0,1]=4 7626 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,2,0,0,0,0|1,0,1]=4 7627 B13R1.5 COc1ccc(cn1)OC(C)CO 34a_100011934560_100012180447 [0,2,0,0,0,0|2,0,0]=4 7628 B13R1.5 COc1ccc(cn1)SC(C)C#N 62a_100000047065_100000703298 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.5 COc1ccc(cn1)SC(C)C#N 62a_100000703298_100000047065 [0,2,0,0,0,0|2,0,0]=4 7630 B13R1.5 COc1ccc(cn1)SC(C)CO 62a_100012180447_100000047065 [0,2,0,0,0,0|2,0,0]=4 7631 B13R1.5 COc1ccc(cn1)SC(C)OC 62a_100000047065_100009879195 [0,2,0,0,0,0|2,0,0]=4 7632 B13R1.5 COc1ccc(cn1)SC(C)OC 62a_100009879195_100000047065 [0,2,0,0,0,0|2,0,0]=4 7633 B13R1.5 COc1ccc(cn1)S[C@H](C)CO 62a_100000047065_100016084084 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.5 COc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000047065 [0,2,0,0,0,0|2,0,0]=4 7635 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,2,0,0,0,0|1,0,1]=4 7636 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,2,0,0,0,0|1,0,1]=4 7637 B13R1.5 COc1ccc(nc1)OC(C)CO 34a_100012002028_100012180447 [0,2,0,0,0,0|2,0,0]=4 7638 B13R1.5 COc1ccc(nc1)SC(C)C#N 62a_100000703298_100000744180 [0,2,0,0,0,0|2,0,0]=4 7639 B13R1.5 COc1ccc(nc1)SC(C)C#N 62a_100000755202_100000703298 [0,2,0,0,0,0|2,0,0]=4 7640 B13R1.5 COc1ccc(nc1)SC(C)CO 62a_100012180447_100000744180 [0,2,0,0,0,0|2,0,0]=4 7641 B13R1.5 COc1ccc(nc1)SC(C)OC 62a_100000755202_100009879195 [0,2,0,0,0,0|2,0,0]=4 7642 B13R1.5 COc1ccc(nc1)SC(C)OC 62a_100009879195_100000744180 [0,2,0,0,0,0|2,0,0]=4 7643 B13R1.5 COc1ccc(nc1)S[C@H](C)CO 62a_100000755202_100016084084 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.5 COc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000744180 [0,2,0,0,0,0|2,0,0]=4 7645 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,2,0,0,0,0|0,1,1]=4 7646 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,2,0,0,0,0|0,1,1]=4 7647 B13R1.5 CSc1ccc(cc1)CN(C)CF 269982a_102495365258_100015361967 [0,2,0,0,0,0|1,1,0]=4 7648 B13R1.5 CSc1ccc(cc1)NC(C)CO 34a_100000212337_100012180447 [0,2,0,0,0,0|1,1,0]=4 7649 B13R1.5 CSc1ccc(cc1)OC(C)CO 34a_100000211864_100012180447 [0,2,0,0,0,0|1,1,0]=4 7650 B13R1.5 CSc1ccc(cc1)SC(C)C#N 62a_100000703298_100011263217 [0,2,0,0,0,0|1,1,0]=4 7651 B13R1.5 CSc1ccc(cc1)SC(C)C#N 62a_100011263217_100000703298 [0,2,0,0,0,0|1,1,0]=4 7652 B13R1.5 CSc1ccc(cc1)SC(C)CO 62a_100012180447_100011263217 [0,2,0,0,0,0|1,1,0]=4 7653 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100011263217_100016084084 [0,2,0,0,0,0|1,1,0]=4 7654 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011263217 [0,2,0,0,0,0|1,1,0]=4 7655 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,2,0,0,0,0|1,0,1]=4 7656 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,2,0,0,0,0|0,0,0]=2 7657 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,2,0,0,0,0|1,0,1]=4 7658 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,2,0,0,0,0|0,0,1]=3 7659 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,2,0,0,0,0|0,0,1]=3 7660 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,2,0,0,0,0|0,0,1]=3 7661 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,2,0,0,0,0|0,0,1]=3 7662 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,2,0,0,0,0|0,0,1]=3 7663 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,2,0,0,0,0|0,0,1]=3 7664 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,2,0,0,0,0|1,0,1]=4 7665 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,2,0,0,0,0|1,0,1]=4 7666 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,2,0,0,0,0|1,0,1]=4 7667 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,2,0,0,0,0|1,0,1]=4 7668 B13R1.35 CC(C)Oc1ccc(c(c1)F)N[13CH3] 2230a_100000747098_200025704644 [0,2,0,0,0,0|2,0,0]=4 7669 B13R1.35 CC(C)Oc1ccc(c(c1)F)N[13CH3] 34a_100000747098_200025704644 [0,2,0,0,0,0|2,0,0]=4 7670 B13R1.35 CC(C)Oc1ccc(c(c1)F)N[13CH3] 7a_100000747098_200025704644 [0,2,0,0,0,0|2,0,0]=4 7671 B13R1.35 CC(C)Oc1ccc(c(c1)F)S[13CH3] 62a_200012236954_200025704644 [0,2,0,0,0,0|1,1,0]=4 7672 B13R1.35 CC(C)Oc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200012236954 [0,2,0,0,0,0|1,1,0]=4 7673 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 2230a_100000766362_100000210206 [0,2,0,0,0,0|2,0,0]=4 7674 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 34a_100000766362_100000210206 [0,2,0,0,0,0|2,0,0]=4 7675 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 7a_100000766362_100000210206 [0,2,0,0,0,0|2,0,0]=4 7676 B13R1.35 CCc1ccc(cc1Cl)OC(C)C 34a_100009886192_100000210206 [0,2,0,0,0,0|2,0,0]=4 7677 B13R1.35 CCc1ccc(cc1Cl)OC(C)C 7a_100009886192_100000210206 [0,2,0,0,0,0|2,0,0]=4 7678 B13R1.35 CCc1ccc(cc1F)SC(C)C 62a_100000210206_200010071577 [0,2,0,0,0,0|2,0,0]=4 7679 B13R1.35 CCc1ccc(cc1F)SC(C)C 62a_200010071577_100000210206 [0,2,0,0,0,0|2,0,0]=4 7680 B13R1.35 CCc1ccc(cc1N)SC(C)C 62a_100000210206_100012354963 [0,2,0,0,0,0|2,0,0]=4 7681 B13R1.35 CCc1ccc(cc1N)SC(C)C 62a_100012354963_100000210206 [0,2,0,0,0,0|2,0,0]=4 7682 B13R1.35 CNc1ccc(cc1C)OC(C)C 34a_100161107805_100000210206 [0,2,0,0,0,0|2,0,0]=4 7683 B13R1.35 CNc1ccc(cc1C)OC(C)C 7a_100161107805_100000210206 [0,2,0,0,0,0|2,0,0]=4 7684 B13R1.35 CNc1ccc(cc1C)SC(C)C 62a_100000210206_100000221803 [0,2,0,0,0,0|2,0,0]=4 7685 B13R1.35 CNc1ccc(cc1C)SC(C)C 62a_100000221803_100000210206 [0,2,0,0,0,0|2,0,0]=4 7686 B13R1.35 CNc1ccc(cc1F)OC(C)C 2230a_100000747098_200000210301 [0,2,0,0,0,0|2,0,0]=4 7687 B13R1.35 CNc1ccc(cc1F)OC(C)C 34a_100000747098_200000210301 [0,2,0,0,0,0|2,0,0]=4 7688 B13R1.35 CNc1ccc(cc1F)OC(C)C 7a_100000747098_200000210301 [0,2,0,0,0,0|2,0,0]=4 7689 B13R1.35 CNc1ccc(cc1F)SC(C)C 62a_100000210206_100000743884 [0,2,0,0,0,0|2,0,0]=4 7690 B13R1.35 CNc1ccc(cc1F)SC(C)C 62a_100000743884_100000210206 [0,2,0,0,0,0|2,0,0]=4 7691 B13R1.35 CNc1ccc(cc1N)SC(C)C 62a_100000741790_100000210206 [0,2,0,0,0,0|2,0,0]=4 7692 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [0,2,0,0,0,0|0,0,2]=4 7693 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,2,0,0,0,0|0,0,1]=3 7694 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,2,0,0,0,0|0,0,1]=3 7695 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,2,0,0,0,0|0,0,1]=3 7696 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,2,0,0,0,0|0,0,1]=3 7697 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,2,0,0,0,0|0,0,1]=3 7698 B13R1.35 COc1ccc(cc1Br)CN(C)C 2230a_100102631434_200011397701 [0,2,0,0,0,0|1,0,0]=3 7699 B13R1.35 COc1ccc(cc1Br)CN(C)C 269982a_100102631434_200011397701 [0,2,0,0,0,0|1,0,0]=3 7700 B13R1.35 COc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000173361 [0,2,0,0,0,0|1,0,0]=3 7701 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,2,0,0,0,0|1,0,1]=4 7702 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,2,0,0,0,0|1,0,1]=4 7703 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,2,0,0,0,0|1,0,1]=4 7704 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,2,0,0,0,0|1,0,1]=4 7705 B13R1.35 COc1ccc(cc1Br)NC(C)C 34a_100000187427_100000210206 [0,2,0,0,0,0|1,0,0]=3 7706 B13R1.35 COc1ccc(cc1Br)OC(C)C 34a_100010234764_100000210206 [0,2,0,0,0,0|1,0,0]=3 7707 B13R1.35 COc1ccc(cc1Br)OC(C)C 7a_100010234764_100000210206 [0,2,0,0,0,0|1,0,0]=3 7708 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100000210206_100011249507 [0,2,0,0,0,0|1,0,0]=3 7709 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100011249507_100000210206 [0,2,0,0,0,0|1,0,0]=3 7710 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,2,0,0,0,0|0,0,2]=4 7711 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,2,0,0,0,0|0,0,1]=3 7712 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,2,0,0,0,0|0,0,1]=3 7713 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,2,0,0,0,0|0,0,1]=3 7714 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,2,0,0,0,0|0,0,1]=3 7715 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,2,0,0,0,0|0,0,1]=3 7716 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100000241087_200000210301 [0,2,0,0,0,0|1,0,0]=3 7717 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100102631434_200011290836 [0,2,0,0,0,0|1,0,0]=3 7718 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100000241087_200000210301 [0,2,0,0,0,0|1,0,0]=3 7719 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100102631434_200011290836 [0,2,0,0,0,0|1,0,0]=3 7720 B13R1.35 COc1ccc(cc1C)CN(C)C 270004a_100102631434_100000239718 [0,2,0,0,0,0|1,0,0]=3 7721 B13R1.35 COc1ccc(cc1C)CN(C)C 34a_100000241087_200000210301 [0,2,0,0,0,0|1,0,0]=3 7722 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 2230a_100000241087_200025704644 [0,2,0,0,0,0|1,0,0]=3 7723 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 269982a_100000241087_200025704644 [0,2,0,0,0,0|1,0,0]=3 7724 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 34a_100000241087_200025704644 [0,2,0,0,0,0|1,0,0]=3 7725 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,2,0,0,0,0|1,0,1]=4 7726 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,2,0,0,0,0|1,0,1]=4 7727 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,2,0,0,0,0|1,0,1]=4 7728 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,2,0,0,0,0|1,0,1]=4 7729 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,2,0,0,0,0|1,0,1]=4 7730 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,2,0,0,0,0|1,0,1]=4 7731 B13R1.35 COc1ccc(cc1C)NC(C)C 2230a_100000743268_100000210206 [0,2,0,0,0,0|1,0,0]=3 7732 B13R1.35 COc1ccc(cc1C)NC(C)C 34a_100000743268_100000210206 [0,2,0,0,0,0|1,0,0]=3 7733 B13R1.35 COc1ccc(cc1C)NC(C)C 7a_100000743268_100000210206 [0,2,0,0,0,0|1,0,0]=3 7734 B13R1.35 COc1ccc(cc1C)OC(C)C 34a_100000759738_100000210206 [0,2,0,0,0,0|1,0,0]=3 7735 B13R1.35 COc1ccc(cc1C)OC(C)C 7a_100000759738_100000210206 [0,2,0,0,0,0|1,0,0]=3 7736 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100000210206_100011219705 [0,2,0,0,0,0|1,0,0]=3 7737 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100011219705_100000210206 [0,2,0,0,0,0|1,0,0]=3 7738 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [0,2,0,0,0,0|0,0,2]=4 7739 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,2,0,0,0,0|0,0,1]=3 7740 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,2,0,0,0,0|0,0,1]=3 7741 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,2,0,0,0,0|0,0,1]=3 7742 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,2,0,0,0,0|0,0,1]=3 7743 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,2,0,0,0,0|0,0,1]=3 7744 B13R1.35 COc1ccc(cc1Cl)CN(C)C 2230a_100102631434_100000693707 [0,2,0,0,0,0|1,0,0]=3 7745 B13R1.35 COc1ccc(cc1Cl)CN(C)C 269982a_100102631434_100000693707 [0,2,0,0,0,0|1,0,0]=3 7746 B13R1.35 COc1ccc(cc1Cl)CN(C)C 270004a_100102631434_100000186747 [0,2,0,0,0,0|1,0,0]=3 7747 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,2,0,0,0,0|1,0,1]=4 7748 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,2,0,0,0,0|1,0,1]=4 7749 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,2,0,0,0,0|1,0,1]=4 7750 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,2,0,0,0,0|1,0,1]=4 7751 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,2,0,0,0,0|1,0,1]=4 7752 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,2,0,0,0,0|1,0,1]=4 7753 B13R1.35 COc1ccc(cc1Cl)NC(C)C 2230a_100000211044_100000210206 [0,2,0,0,0,0|1,0,0]=3 7754 B13R1.35 COc1ccc(cc1Cl)NC(C)C 34a_100000211044_100000210206 [0,2,0,0,0,0|1,0,0]=3 7755 B13R1.35 COc1ccc(cc1Cl)OC(C)C 34a_200009861682_100000210206 [0,2,0,0,0,0|1,0,0]=3 7756 B13R1.35 COc1ccc(cc1Cl)OC(C)C 7a_200009861682_100000210206 [0,2,0,0,0,0|1,0,0]=3 7757 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100000210206_100012355395 [0,2,0,0,0,0|1,0,0]=3 7758 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100012355395_100000210206 [0,2,0,0,0,0|1,0,0]=3 7759 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [0,2,0,0,0,0|0,0,2]=4 7760 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,2,0,0,0,0|0,0,1]=3 7761 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,2,0,0,0,0|0,0,1]=3 7762 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,2,0,0,0,0|0,0,1]=3 7763 B13R1.35 COc1ccc(cc1F)CN(C)C 2230a_100102631434_100000189595 [0,2,0,0,0,0|1,0,0]=3 7764 B13R1.35 COc1ccc(cc1F)CN(C)C 269982a_100102631434_100000189595 [0,2,0,0,0,0|1,0,0]=3 7765 B13R1.35 COc1ccc(cc1F)CN(C)C 270004a_100102631434_100000204617 [0,2,0,0,0,0|1,0,0]=3 7766 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,2,0,0,0,0|1,0,1]=4 7767 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,2,0,0,0,0|1,0,1]=4 7768 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,2,0,0,0,0|1,0,1]=4 7769 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,2,0,0,0,0|1,0,1]=4 7770 B13R1.35 COc1ccc(cc1F)NC(C)C 2230a_100000740183_100000210206 [0,2,0,0,0,0|1,0,0]=3 7771 B13R1.35 COc1ccc(cc1F)NC(C)C 34a_100000740183_100000210206 [0,2,0,0,0,0|1,0,0]=3 7772 B13R1.35 COc1ccc(cc1F)OC(C)C 34a_100000746305_100000210206 [0,2,0,0,0,0|1,0,0]=3 7773 B13R1.35 COc1ccc(cc1F)OC(C)C 7a_100000746305_100000210206 [0,2,0,0,0,0|1,0,0]=3 7774 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000171752_100000210206 [0,2,0,0,0,0|1,0,0]=3 7775 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000210206_100000171752 [0,2,0,0,0,0|1,0,0]=3 7776 B13R1.35 COc1ccc(cc1I)CN(C)C 270004a_100102631434_100009827998 [0,2,0,0,0,0|1,0,0]=3 7777 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,2,0,0,0,0|1,0,1]=4 7778 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,2,0,0,0,0|1,0,1]=4 7779 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,2,0,0,0,0|1,0,1]=4 7780 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,2,0,0,0,0|1,0,1]=4 7781 B13R1.35 COc1ccc(cc1I)NC(C)C 34a_100011356947_100000210206 [0,2,0,0,0,0|1,0,0]=3 7782 B13R1.35 COc1ccc(cc1I)OC(C)C 34a_100010084122_100000210206 [0,2,0,0,0,0|1,0,0]=3 7783 B13R1.35 COc1ccc(cc1I)OC(C)C 7a_100010084122_100000210206 [0,2,0,0,0,0|1,0,0]=3 7784 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [0,2,0,0,0,0|0,0,2]=4 7785 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100000210206_100011249504 [0,2,0,0,0,0|1,0,0]=3 7786 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100011249504_100000210206 [0,2,0,0,0,0|1,0,0]=3 7787 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,2,0,0,0,0|0,0,2]=4 7788 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,2,0,0,0,0|0,0,1]=3 7789 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,2,0,0,0,0|0,0,1]=3 7790 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,2,0,0,0,0|0,0,1]=3 7791 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [0,2,0,0,0,0|1,0,0]=3 7792 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [0,2,0,0,0,0|1,0,0]=3 7793 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [0,2,0,0,0,0|1,0,0]=3 7794 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [0,2,0,0,0,0|1,0,0]=3 7795 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,2,0,0,0,0|1,0,1]=4 7796 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,2,0,0,0,0|1,0,1]=4 7797 B13R1.35 COc1ccc(cc1O)NC(C)C 34a_100000211920_100000210206 [0,2,0,0,0,0|1,0,0]=3 7798 B13R1.35 COc1ccc(cc1O)SC(C)C 62a_100000210206_100009816560 [0,2,0,0,0,0|1,0,0]=3 7799 B13R1.35 COc1ccc(nc1Br)CN(C)C 270004a_100102631434_100010174741 [0,2,0,0,0,0|2,0,0]=4 7800 B13R1.35 COc1ccc(nc1Br)SC(C)C 62a_100000210206_100010214827 [0,2,0,0,0,0|2,0,0]=4 7801 B13R1.35 COc1ccc(nc1Br)SC(C)C 62a_100010214827_100000210206 [0,2,0,0,0,0|2,0,0]=4 7802 B13R1.35 COc1ccc(nc1C)SC(C)C 62a_100000210206_100010244750 [0,2,0,0,0,0|2,0,0]=4 7803 B13R1.35 COc1ccc(nc1C)SC(C)C 62a_100010244750_100000210206 [0,2,0,0,0,0|2,0,0]=4 7804 B13R1.35 COc1ccc(nc1Cl)SC(C)C 62a_100000210206_100010233546 [0,2,0,0,0,0|2,0,0]=4 7805 B13R1.35 COc1ccc(nc1F)NC(C)C 27a_100138425928_100010138636 [0,2,0,0,0,0|2,0,0]=4 7806 B13R1.35 COc1ccc(nc1F)SC(C)C 62a_100000210206_100010138636 [0,2,0,0,0,0|2,0,0]=4 7807 B13R1.35 COc1ccc(nc1F)SC(C)C 62a_100010138636_100000210206 [0,2,0,0,0,0|2,0,0]=4 7808 B13R1.35 COc1ccc(nc1N)SC(C)C 62a_100010192976_100000210206 [0,2,0,0,0,0|2,0,0]=4 7809 B13R1.35 COc1cnc(cc1Br)CN(C)C 270004a_100102631434_100010893078 [0,2,0,0,0,0|2,0,0]=4 7810 B13R1.35 COc1cnc(cc1N)SC(C)C 62a_100000210206_100010896307 [0,2,0,0,0,0|2,0,0]=4 7811 B13R1.35 COc1cnc(cc1N)SC(C)C 62a_100010896307_100000210206 [0,2,0,0,0,0|2,0,0]=4 7812 B13R1.35 COc1cnc(cc1O)SC(C)C 62a_100000210206_100010264082 [0,2,0,0,0,0|2,0,0]=4 7813 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,2,0,0,0,0|1,0,1]=4 7814 B13R1.35 COc1coc(cc1=O)CN(C)C 2230a_100102631434_100000081511 [0,2,0,0,0,0|2,0,0]=4 7815 B13R1.35 COc1coc(cc1=O)CN(C)C 269982a_100102631434_100000081511 [0,2,0,0,0,0|2,0,0]=4 7816 B13R1.35 COc1ncc(cc1Br)CN(C)C 270004a_100102631434_200010064893 [0,2,0,0,0,0|2,0,0]=4 7817 B13R1.35 COc1ncc(cc1Br)SC(C)C 62a_100000210206_200010988584 [0,2,0,0,0,0|2,0,0]=4 7818 B13R1.35 COc1ncc(cc1Br)SC(C)C 62a_200010988584_100000210206 [0,2,0,0,0,0|2,0,0]=4 7819 B13R1.35 COc1ncc(cc1C)CN(C)C 270004a_100102631434_100012183433 [0,2,0,0,0,0|2,0,0]=4 7820 B13R1.35 COc1ncc(cc1C)SC(C)C 62a_100000210206_100011290809 [0,2,0,0,0,0|2,0,0]=4 7821 B13R1.35 COc1ncc(cc1C)SC(C)C 62a_100011290809_100000210206 [0,2,0,0,0,0|2,0,0]=4 7822 B13R1.35 COc1ncc(cc1Cl)CN(C)C 270004a_100102631434_100000081810 [0,2,0,0,0,0|2,0,0]=4 7823 B13R1.35 COc1ncc(cc1F)CN(C)C 270004a_100102631434_100000081167 [0,2,0,0,0,0|2,0,0]=4 7824 B13R1.35 COc1ncc(cc1F)SC(C)C 62a_100000210206_100011880707 [0,2,0,0,0,0|2,0,0]=4 7825 B13R1.35 COc1ncc(cc1F)SC(C)C 62a_100011880707_100000210206 [0,2,0,0,0,0|2,0,0]=4 7826 B13R1.35 COc1ncc(cc1N)SC(C)C 62a_100000210206_100000748608 [0,2,0,0,0,0|2,0,0]=4 7827 B13R1.35 COc1ncc(cc1N)SC(C)C 62a_100000748608_100000210206 [0,2,0,0,0,0|2,0,0]=4 7828 B13R1.35 COc1ncc(cc1O)SC(C)C 62a_100000210206_100010135713 [0,2,0,0,0,0|2,0,0]=4 7829 B13R1.35 CSc1ccc(cc1C)OC(C)C 34a_100000030144_100000210206 [0,2,0,0,0,0|1,1,0]=4 7830 B13R1.35 CSc1ccc(cc1Cl)SC(C)C 62a_100000210206_206447510565 [0,2,0,0,0,0|1,1,0]=4 7831 B13R1.35 CSc1ccc(cc1Cl)SC(C)C 62a_206447510565_100000210206 [0,2,0,0,0,0|1,1,0]=4 7832 B13R1.35 CSc1ccc(cc1F)NC(C)C 2230a_100000762756_100000210206 [0,2,0,0,0,0|1,1,0]=4 7833 B13R1.35 CSc1ccc(cc1F)NC(C)C 34a_100000762756_100000210206 [0,2,0,0,0,0|1,1,0]=4 7834 B13R1.35 CSc1ccc(cc1F)OC(C)C 62a_200000210301_200012236954 [0,2,0,0,0,0|1,1,0]=4 7835 B13R1.35 CSc1ccc(cc1F)OC(C)C 62a_200012236954_200000210301 [0,2,0,0,0,0|1,1,0]=4 7836 B13R1.35 CSc1ccc(cc1F)SC(C)C 62a_100000210206_100010161220 [0,2,0,0,0,0|1,1,0]=4 7837 B13R1.35 CSc1ccc(cc1F)SC(C)C 62a_100010161220_100000210206 [0,2,0,0,0,0|1,1,0]=4 7838 B13R1.36 C=Cc1ccc(cc1)[C@@H](N)C(C)C 271570a_100011290941_100102422763 [0,2,0,0,0,0|1,0,1]=4 7839 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,2,0,0,0,0|1,0,1]=4 7840 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 34a_200010205864_200025704644 [0,2,0,0,0,0|0,0,1]=3 7841 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 7a_200010205864_200025704644 [0,2,0,0,0,0|0,0,1]=3 7842 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100011995950_200025704644 [0,2,0,0,0,0|0,0,1]=3 7843 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100011995950_200025704644 [0,2,0,0,0,0|0,0,1]=3 7844 B13R1.36 CC(C)C(=O)c1ccc(cc1)S[13CH3] 62a_100011220430_200025704644 [0,2,0,0,0,0|0,1,1]=4 7845 B13R1.36 CC(C)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011220430 [0,2,0,0,0,0|0,1,1]=4 7846 B13R1.36 CC(C)S(=O)c1ccc(cc1)S[13CH3] 62a_100010749287_200025704644 [0,2,0,0,0,0|1,1,0]=4 7847 B13R1.36 CC(C)S(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010749287 [0,2,0,0,0,0|1,1,0]=4 7848 B13R1.36 CC(C)[C@H](N)c1ccc(cc1)S[13CH3] 62a_100102422763_200025704644 [0,2,0,0,0,0|0,1,0]=3 7849 B13R1.36 CC(C)[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100102422763 [0,2,0,0,0,0|0,1,0]=3 7850 B13R1.36 CCc1ccc(cc1)C(=O)C(C)C 1458a_100000211226_100000210206 [0,2,0,0,0,0|1,0,1]=4 7851 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100000192105_200025704644 [0,2,0,0,0,0|1,0,1]=4 7852 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100000192105_200025704644 [0,2,0,0,0,0|1,0,1]=4 7853 B13R1.36 CNc1ccc(cc1)C(=O)C(C)C 27a_100102657272_100011220430 [0,2,0,0,0,0|1,0,1]=4 7854 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,2,0,0,0,0|0,0,2]=4 7855 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 34a_200010205864_200000210301 [0,2,0,0,0,0|0,0,1]=3 7856 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 7a_200010205864_200000210301 [0,2,0,0,0,0|0,0,1]=3 7857 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 1458a_100000184203_100000210206 [0,2,0,0,0,0|0,0,1]=3 7858 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 34a_100011995950_200000210301 [0,2,0,0,0,0|0,0,1]=3 7859 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 7a_100011995950_200000210301 [0,2,0,0,0,0|0,0,1]=3 7860 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000184203 [0,2,0,0,0,0|1,0,1]=4 7861 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000184203 [0,2,0,0,0,0|1,0,1]=4 7862 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000184203 [0,2,0,0,0,0|1,0,1]=4 7863 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 34a_100000192105_200000210301 [0,2,0,0,0,0|1,0,1]=4 7864 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000184203 [0,2,0,0,0,0|1,0,1]=4 7865 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 7a_100000192105_200000210301 [0,2,0,0,0,0|1,0,1]=4 7866 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,2,0,0,0,0|0,0,1]=3 7867 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,2,0,0,0,0|0,0,1]=3 7868 B13R1.36 COc1ccc(cc1)C(C)N(C)C 2230a_100000736477_200000210301 [0,2,0,0,0,0|1,0,0]=3 7869 B13R1.36 COc1ccc(cc1)C(C)N(C)C 269982a_100000736477_200000210301 [0,2,0,0,0,0|1,0,0]=3 7870 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 2230a_100000736477_200025704644 [0,2,0,0,0,0|1,0,0]=3 7871 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 269982a_100000736477_200025704644 [0,2,0,0,0,0|1,0,0]=3 7872 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|0,0,1]=3 7873 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|0,0,1]=3 7874 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,2,0,0,0,0|1,0,1]=4 7875 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,2,0,0,0,0|1,0,1]=4 7876 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,2,0,0,0,0|1,0,1]=4 7877 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,2,0,0,0,0|1,0,1]=4 7878 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,2,0,0,0,0|1,0,1]=4 7879 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220023_100000210206 [0,2,0,0,0,0|1,0,0]=3 7880 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220024_200000210301 [0,2,0,0,0,0|1,0,0]=3 7881 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220023_100000210206 [0,2,0,0,0,0|1,0,0]=3 7882 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220024_200000210301 [0,2,0,0,0,0|1,0,0]=3 7883 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220023_100000210206 [0,2,0,0,0,0|1,0,0]=3 7884 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220024_200000210301 [0,2,0,0,0,0|1,0,0]=3 7885 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 2230a_100000220024_200025704644 [0,2,0,0,0,0|1,0,0]=3 7886 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 269982a_100000220024_200025704644 [0,2,0,0,0,0|1,0,0]=3 7887 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 34a_100000220024_200025704644 [0,2,0,0,0,0|1,0,0]=3 7888 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 1458a_100000189692_100000210206 [0,2,0,0,0,0|0,1,1]=4 7889 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 62a_100011220430_200000210301 [0,2,0,0,0,0|0,1,1]=4 7890 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 62a_200000210301_100011220430 [0,2,0,0,0,0|0,1,1]=4 7891 B13R1.36 CSc1ccc(cc1)S(=O)C(C)C 62a_100010749287_200000210301 [0,2,0,0,0,0|1,1,0]=4 7892 B13R1.36 CSc1ccc(cc1)S(=O)C(C)C 62a_200000210301_100010749287 [0,2,0,0,0,0|1,1,0]=4 7893 B13R1.36 CSc1ccc(cc1)[C@@H](N)C(C)C 62a_100102422763_200000210301 [0,2,0,0,0,0|0,1,0]=3 7894 B13R1.36 CSc1ccc(cc1)[C@@H](N)C(C)C 62a_200000210301_100102422763 [0,2,0,0,0,0|0,1,0]=3 7895 B13R1.142 C/C=C/c1ccc(cc1)SC(C)C 62a_100000210206_100016259036 [0,2,0,0,0,0|2,0,0]=4 7896 B13R1.142 C/C=C/c1ccc(cc1)SC(C)C 62a_100016259036_100000210206 [0,2,0,0,0,0|2,0,0]=4 7897 B13R1.142 C=C=Cc1ccc(cc1)CC(C)C 271570a_100015277604_100011221366 [0,2,0,0,0,0|1,0,1]=4 7898 B13R1.142 C=CCc1ccc(cc1)OC(C)C 34a_100000078792_100000210206 [0,2,0,0,0,0|0,0,2]=4 7899 B13R1.142 C=CCc1ccc(cc1)OC(C)C 7a_100000078792_100000210206 [0,2,0,0,0,0|0,0,2]=4 7900 B13R1.142 C=COc1ccc(cc1)SC(C)C 62a_100000210206_100000704263 [0,2,0,0,0,0|1,0,1]=4 7901 B13R1.142 C=COc1ccc(cc1)SC(C)C 62a_100000704263_100000210206 [0,2,0,0,0,0|1,0,1]=4 7902 B13R1.142 CC(=Cc1ccc(cc1)CCN)C 271570a_100102525489_100000755846 [0,2,0,0,0,0|2,0,0]=4 7903 B13R1.142 CC(=Cc1ccc(cc1)CCO)C 271570a_100102525489_100000766406 [0,2,0,0,0,0|2,0,0]=4 7904 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,2,0,0,0,0|0,0,1]=3 7905 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,2,0,0,0,0|0,0,1]=3 7906 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,2,0,0,0,0|0,1,1]=4 7907 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,2,0,0,0,0|0,1,1]=4 7908 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,2,0,0,0,0|2,0,0]=4 7909 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.142 CC(=O)Nc1ccc(cc1)CN[13CH3] 34a_100000735448_200025704644 [0,2,0,0,0,0|2,0,0]=4 7911 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,2,0,0,0,0|1,0,1]=4 7912 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,2,0,0,0,0|1,0,1]=4 7913 B13R1.142 CC(=O)Nc1ccc(cc1)CS[13CH3] 62a_200025704644_100000731167 [0,2,0,0,0,0|2,0,0]=4 7914 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,2,0,0,0,0|1,0,1]=4 7915 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,2,0,0,0,0|1,0,1]=4 7916 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [0,2,0,0,0,0|1,0,0]=3 7917 B13R1.142 CC(=O)Oc1ccc(cc1)SCF 62a_100015361967_100000002173 [0,2,0,0,0,0|2,0,0]=4 7918 B13R1.142 CC(=S)Oc1ccc(cc1)SCF 62a_100015361967_200009816735 [0,2,0,0,0,0|2,0,0]=4 7919 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 34a_200011266444_200025704644 [0,2,0,0,0,0|0,0,0]=2 7920 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 7a_200011266444_200025704644 [0,2,0,0,0,0|0,0,0]=2 7921 B13R1.142 CC(C)Cc1ccc(cc1)CS[13CH3] 62a_100011982790_200025704644 [0,2,0,0,0,0|0,1,0]=3 7922 B13R1.142 CC(C)Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982790 [0,2,0,0,0,0|0,1,0]=3 7923 B13R1.142 CC(C)Cc1ccc(cc1)NCF 34a_100000687309_100015361967 [0,2,0,0,0,0|1,0,0]=3 7924 B13R1.142 CC(C)Cc1ccc(cc1)SCF 62a_100011221366_100015361967 [0,2,0,0,0,0|0,1,0]=3 7925 B13R1.142 CC(C)Cc1ccc(cc1)SCF 62a_100015361967_100011221366 [0,2,0,0,0,0|0,1,0]=3 7926 B13R1.142 CC(C)Nc1ccc(cc1)CCO 2230a_100011204434_100000210206 [0,2,0,0,0,0|2,0,0]=4 7927 B13R1.142 CC(C)Nc1ccc(cc1)CCO 34a_100011204434_100000210206 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.142 CC(C)Nc1ccc(cc1)SCF 62a_100000219625_100015361967 [0,2,0,0,0,0|1,1,0]=4 7929 B13R1.142 CC(C)Nc1ccc(cc1)SCF 62a_100015361967_100000219625 [0,2,0,0,0,0|1,1,0]=4 7930 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 34a_100000198970_100000210206 [0,2,0,0,0,0|1,0,1]=4 7931 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 7a_100000198970_100000210206 [0,2,0,0,0,0|1,0,1]=4 7932 B13R1.142 CC(C)Oc1ccc(cc1)CCBr 34a_100009816426_100000210206 [0,2,0,0,0,0|1,0,0]=3 7933 B13R1.142 CC(C)Oc1ccc(cc1)CCBr 7a_100009816426_100000210206 [0,2,0,0,0,0|1,0,0]=3 7934 B13R1.142 CC(C)Oc1ccc(cc1)CCN 34a_100000743037_100000210206 [0,2,0,0,0,0|1,0,0]=3 7935 B13R1.142 CC(C)Oc1ccc(cc1)CCO 34a_100011215338_100000210206 [0,2,0,0,0,0|1,0,0]=3 7936 B13R1.142 CC(C)Oc1ccc(cc1)CCO 7a_100011215338_100000210206 [0,2,0,0,0,0|1,0,0]=3 7937 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 2230a_100020586559_200025704644 [0,2,0,0,0,0|1,0,0]=3 7938 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 34a_100020586559_200025704644 [0,2,0,0,0,0|1,0,0]=3 7939 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 34a_100000173089_200025704644 [0,2,0,0,0,0|1,0,0]=3 7940 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 7a_100000173089_200025704644 [0,2,0,0,0,0|1,0,0]=3 7941 B13R1.142 CC(C)Oc1ccc(cc1)NCF 34a_100011194259_100015361967 [0,2,0,0,0,0|2,0,0]=4 7942 B13R1.142 CC(C)Oc1ccc(cc1)OCF 34a_100000757185_100015361967 [0,2,0,0,0,0|1,0,0]=3 7943 B13R1.142 CC(C)Oc1ccc(cc1)OCF 7a_100000757185_100015361967 [0,2,0,0,0,0|1,0,0]=3 7944 B13R1.142 CC(C)Oc1ccc(cc1)SCF 62a_100000169947_100015361967 [0,2,0,0,0,0|1,1,0]=4 7945 B13R1.142 CC(C)Oc1ccc(cc1)SCF 62a_100015361967_100000169947 [0,2,0,0,0,0|1,1,0]=4 7946 B13R1.142 CC(C)Oc1ccc(cn1)CN[13CH3] 2230a_100000740622_200025704644 [0,2,0,0,0,0|2,0,0]=4 7947 B13R1.142 CC(C)Oc1ccc(cn1)CN[13CH3] 34a_100000740622_200025704644 [0,2,0,0,0,0|2,0,0]=4 7948 B13R1.142 CC(C)Oc1ccc(cn1)OCF 34a_100009858630_100015361967 [0,2,0,0,0,0|2,0,0]=4 7949 B13R1.142 CC(C)Sc1ccc(cc1)CCN 62a_100000210206_100000755846 [0,2,0,0,0,0|1,1,0]=4 7950 B13R1.142 CC(C)Sc1ccc(cc1)CCN 62a_100000755846_100000210206 [0,2,0,0,0,0|1,1,0]=4 7951 B13R1.142 CC(C)Sc1ccc(cc1)CCO 62a_100000210206_100000766406 [0,2,0,0,0,0|1,1,0]=4 7952 B13R1.142 CC(C)Sc1ccc(cc1)CCO 62a_100000766406_100000210206 [0,2,0,0,0,0|1,1,0]=4 7953 B13R1.142 CC(C)Sc1ccc(cc1)SCF 62a_100009811894_100015361967 [0,2,0,0,0,0|1,1,0]=4 7954 B13R1.142 CC(C)Sc1ccc(cc1)SCF 62a_100015361967_100009811894 [0,2,0,0,0,0|1,1,0]=4 7955 B13R1.142 CC(N)Cc1ccc(cc1)OCF 34a_100102634573_100015361967 [0,2,0,0,0,0|0,0,0]=2 7956 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [0,2,0,0,0,0|1,0,1]=4 7957 B13R1.142 CC=Cc1ccc(cc1)CC(C)C 271570a_100016259895_100011221366 [0,2,0,0,0,0|1,0,0]=3 7958 B13R1.142 CC=Cc1ccc(cc1)CN(C)C 271570a_100016259895_100000174694 [0,2,0,0,0,0|2,0,0]=4 7959 B13R1.142 CC=Cc1ccc(cc1)NC(C)C 271570a_100016259895_100000219625 [0,2,0,0,0,0|2,0,0]=4 7960 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [0,2,0,0,0,0|0,0,2]=4 7961 B13R1.142 CC=Cc1ccc(cc1)OC(=S)C 271570a_100016259895_200009816735 [0,2,0,0,0,0|0,0,2]=4 7962 B13R1.142 CC=Cc1ccc(cc1)OC(C)C 271570a_100016259895_100000169947 [0,2,0,0,0,0|0,0,2]=4 7963 B13R1.142 CC=Cc1ccc(cc1)OC(F)F 271570a_100016259895_100000179047 [0,2,0,0,0,0|0,0,2]=4 7964 B13R1.142 CC=Cc1ccc(cc1)SC(C)C 271570a_100016259895_100009811894 [0,2,0,0,0,0|2,0,0]=4 7965 B13R1.142 CCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000750032 [0,2,0,0,0,0|1,0,0]=3 7966 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,2,0,0,0,0|1,0,0]=3 7967 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,2,0,0,0,0|1,0,0]=3 7968 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,2,0,0,0,0|1,0,0]=3 7969 B13R1.142 CCCc1ccc(cc1)CN(C)C 2230a_100102631434_100011982809 [0,2,0,0,0,0|1,0,0]=3 7970 B13R1.142 CCCc1ccc(cc1)CN(C)C 269982a_100102631434_100011982809 [0,2,0,0,0,0|1,0,0]=3 7971 B13R1.142 CCCc1ccc(cc1)CN(C)C 270004a_100102631434_100000229940 [0,2,0,0,0,0|1,0,0]=3 7972 B13R1.142 CCCc1ccc(cc1)NC(=O)C 11a_100000211780_100015343762 [0,2,0,0,0,0|1,0,0]=3 7973 B13R1.142 CCCc1ccc(cc1)NC(=O)C 1626a_100000211780_100015343762 [0,2,0,0,0,0|1,0,0]=3 7974 B13R1.142 CCCc1ccc(cc1)NC(=O)C 22a_100000211780_100000070787 [0,2,0,0,0,0|1,0,0]=3 7975 B13R1.142 CCCc1ccc(cc1)NC(=O)C 527a_100000211780_100103153847 [0,2,0,0,0,0|1,0,0]=3 7976 B13R1.142 CCCc1ccc(cc1)NC(C)C 2230a_100000211780_100000210206 [0,2,0,0,0,0|1,0,0]=3 7977 B13R1.142 CCCc1ccc(cc1)NC(C)C 34a_100000211780_100000210206 [0,2,0,0,0,0|1,0,0]=3 7978 B13R1.142 CCCc1ccc(cc1)OC(C)C 34a_100000749406_100000210206 [0,2,0,0,0,0|0,0,0]=2 7979 B13R1.142 CCCc1ccc(cc1)OC(C)C 7a_100000749406_100000210206 [0,2,0,0,0,0|0,0,0]=2 7980 B13R1.142 CCCc1ccc(cc1)SC(C)C 62a_100000210206_100000750032 [0,2,0,0,0,0|0,1,0]=3 7981 B13R1.142 CCCc1ccc(cc1)SC(C)C 62a_100000750032_100000210206 [0,2,0,0,0,0|0,1,0]=3 7982 B13R1.142 CCNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219632 [0,2,0,0,0,0|2,0,0]=4 7983 B13R1.142 CCNc1ccc(cc1)CC(C)C 2230a_100000687309_100000210202 [0,2,0,0,0,0|1,0,0]=3 7984 B13R1.142 CCNc1ccc(cc1)CC(C)C 34a_100000687309_100000210202 [0,2,0,0,0,0|1,0,0]=3 7985 B13R1.142 CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210202 [0,2,0,0,0,0|2,0,0]=4 7986 B13R1.142 CCNc1ccc(cc1)OC(C)C 2230a_100011194259_100000210202 [0,2,0,0,0,0|1,0,0]=3 7987 B13R1.142 CCNc1ccc(cc1)OC(C)C 34a_100011194259_100000210202 [0,2,0,0,0,0|1,0,0]=3 7988 B13R1.142 CCNc1ccc(cc1)OC(C)C 34a_100011337800_100000210206 [0,2,0,0,0,0|1,0,0]=3 7989 B13R1.142 CCNc1ccc(cc1)OC(C)C 7a_100011337800_100000210206 [0,2,0,0,0,0|1,0,0]=3 7990 B13R1.142 CCNc1ccc(cc1)OC(F)F 2230a_100000183591_100000210202 [0,2,0,0,0,0|1,0,0]=3 7991 B13R1.142 CCNc1ccc(cc1)OC(F)F 34a_100000183591_100000210202 [0,2,0,0,0,0|1,0,0]=3 7992 B13R1.142 CCNc1ccc(cc1)SC(C)C 62a_100000210206_100000219632 [0,2,0,0,0,0|1,1,0]=4 7993 B13R1.142 CCNc1ccc(cc1)SC(F)F 2230a_100000189473_100000210202 [0,2,0,0,0,0|1,1,0]=4 7994 B13R1.142 CCNc1ccc(cc1)SC(F)F 34a_100000189473_100000210202 [0,2,0,0,0,0|1,1,0]=4 7995 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [0,2,0,0,0,0|0,0,2]=4 7996 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,2,0,0,0,0|0,0,1]=3 7997 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,2,0,0,0,0|0,0,1]=3 7998 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,2,0,0,0,0|0,0,1]=3 7999 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,2,0,0,0,0|1,0,1]=4 8000 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,2,0,0,0,0|0,0,1]=3 8001 B13R1.142 CCOc1ccc(cc1)CC(C)N 34a_100102634573_100000210202 [0,2,0,0,0,0|0,0,0]=2 8002 B13R1.142 CCOc1ccc(cc1)CN(C)C 2230a_100000180828_200000210301 [0,2,0,0,0,0|1,0,0]=3 8003 B13R1.142 CCOc1ccc(cc1)CN(C)C 269982a_100000180828_200000210301 [0,2,0,0,0,0|1,0,0]=3 8004 B13R1.142 CCOc1ccc(cc1)CN(C)C 270004a_100102631434_100000169836 [0,2,0,0,0,0|1,0,0]=3 8005 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 2230a_100000180828_200025704644 [0,2,0,0,0,0|1,0,0]=3 8006 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 269982a_100000180828_200025704644 [0,2,0,0,0,0|1,0,0]=3 8007 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,2,0,0,0,0|1,0,1]=4 8008 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,2,0,0,0,0|1,0,1]=4 8009 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,2,0,0,0,0|1,0,1]=4 8010 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,2,0,0,0,0|1,0,1]=4 8011 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,2,0,0,0,0|1,0,1]=4 8012 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,2,0,0,0,0|1,0,1]=4 8013 B13R1.142 CCOc1ccc(cc1)NC(C)C 2230a_100000739623_100000210206 [0,2,0,0,0,0|1,0,0]=3 8014 B13R1.142 CCOc1ccc(cc1)NC(C)C 34a_100000739623_100000210206 [0,2,0,0,0,0|1,0,0]=3 8015 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000185467_100000210206 [0,2,0,0,0,0|1,0,0]=3 8016 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000757185_100000210202 [0,2,0,0,0,0|1,0,0]=3 8017 B13R1.142 CCOc1ccc(cc1)OC(C)C 7a_100000757185_100000210202 [0,2,0,0,0,0|1,0,0]=3 8018 B13R1.142 CCOc1ccc(cc1)OC(F)F 34a_100011217645_100000210202 [0,2,0,0,0,0|1,0,0]=3 8019 B13R1.142 CCOc1ccc(cc1)OC(F)F 7a_100011217645_100000210202 [0,2,0,0,0,0|1,0,0]=3 8020 B13R1.142 CCOc1ccc(cc1)SC(C)C 62a_100000210206_100000171712 [0,2,0,0,0,0|1,0,0]=3 8021 B13R1.142 CCOc1ccc(cn1)CN(C)C 270004a_100102631434_100012002837 [0,2,0,0,0,0|2,0,0]=4 8022 B13R1.142 CCOc1ccc(cn1)SC(C)C 62a_100000210206_100011219444 [0,2,0,0,0,0|2,0,0]=4 8023 B13R1.142 CCOc1ccc(cn1)SC(C)C 62a_100011219444_100000210206 [0,2,0,0,0,0|2,0,0]=4 8024 B13R1.142 CCOc1ccc(nc1)OC(C)C 34a_100009858630_100000210202 [0,2,0,0,0,0|2,0,0]=4 8025 B13R1.142 CCOc1ccc(nc1)OC(F)F 34a_100009876428_100000210202 [0,2,0,0,0,0|2,0,0]=4 8026 B13R1.142 CCOc1ccc(nc1)SC(C)C 62a_100000210206_100000753957 [0,2,0,0,0,0|2,0,0]=4 8027 B13R1.142 CCOc1ccc(nc1)SC(C)C 62a_100012355646_100000210206 [0,2,0,0,0,0|2,0,0]=4 8028 B13R1.142 CCSc1ccc(cc1)C=C(C)C 271570a_100102525489_200009811893 [0,2,0,0,0,0|2,0,0]=4 8029 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,2,0,0,0,0|0,1,1]=4 8030 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,2,0,0,0,0|0,1,1]=4 8031 B13R1.142 CCSc1ccc(cc1)CC(C)C 62a_100000210202_100011221366 [0,2,0,0,0,0|0,1,0]=3 8032 B13R1.142 CCSc1ccc(cc1)CC(C)C 62a_100011221366_100000210202 [0,2,0,0,0,0|0,1,0]=3 8033 B13R1.142 CCSc1ccc(cc1)CN(C)C 62a_100000174694_100000210202 [0,2,0,0,0,0|1,1,0]=4 8034 B13R1.142 CCSc1ccc(cc1)CN(C)C 62a_100000210202_100000174694 [0,2,0,0,0,0|1,1,0]=4 8035 B13R1.142 CCSc1ccc(cc1)NC(=O)C 11a_100015187087_100015343762 [0,2,0,0,0,0|2,0,0]=4 8036 B13R1.142 CCSc1ccc(cc1)NC(=O)C 1626a_100015187087_100015343762 [0,2,0,0,0,0|2,0,0]=4 8037 B13R1.142 CCSc1ccc(cc1)NC(=O)C 22a_100015187087_100000070787 [0,2,0,0,0,0|2,0,0]=4 8038 B13R1.142 CCSc1ccc(cc1)NC(=O)C 527a_100015187087_100103153847 [0,2,0,0,0,0|2,0,0]=4 8039 B13R1.142 CCSc1ccc(cc1)NC(=O)C 62a_100000210202_100000155215 [0,2,0,0,0,0|2,0,0]=4 8040 B13R1.142 CCSc1ccc(cc1)NC(C)C 34a_100015187087_100000210206 [0,2,0,0,0,0|1,1,0]=4 8041 B13R1.142 CCSc1ccc(cc1)NC(C)C 62a_100000210202_100000219625 [0,2,0,0,0,0|1,1,0]=4 8042 B13R1.142 CCSc1ccc(cc1)NC(C)C 62a_100000219625_100000210202 [0,2,0,0,0,0|1,1,0]=4 8043 B13R1.142 CCSc1ccc(cc1)OC(=O)C 62a_100000210202_100000002173 [0,2,0,0,0,0|1,0,0]=3 8044 B13R1.142 CCSc1ccc(cc1)OC(=S)C 62a_100000210202_200009816735 [0,2,0,0,0,0|1,0,0]=3 8045 B13R1.142 CCSc1ccc(cc1)OC(C)C 62a_100000169947_100000210202 [0,2,0,0,0,0|1,0,0]=3 8046 B13R1.142 CCSc1ccc(cc1)OC(C)C 62a_100000210202_100000169947 [0,2,0,0,0,0|1,0,0]=3 8047 B13R1.142 CCSc1ccc(cc1)OC(F)F 62a_100000179047_100000210202 [0,2,0,0,0,0|1,0,0]=3 8048 B13R1.142 CCSc1ccc(cc1)OC(F)F 62a_100000210202_100000179047 [0,2,0,0,0,0|1,0,0]=3 8049 B13R1.142 CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210202 [0,2,0,0,0,0|1,1,0]=4 8050 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_100000210202_100009811894 [0,2,0,0,0,0|1,1,0]=4 8051 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_100000210206_200009811893 [0,2,0,0,0,0|1,1,0]=4 8052 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_100009811894_100000210202 [0,2,0,0,0,0|1,1,0]=4 8053 B13R1.142 CCSc1ccc(cc1)SC(C)C 62a_200009811893_100000210206 [0,2,0,0,0,0|1,1,0]=4 8054 B13R1.142 CCSc1ccc(cc1)SC(F)F 62a_100000178776_100000210202 [0,2,0,0,0,0|1,1,0]=4 8055 B13R1.142 CCSc1ccc(cc1)SC(F)F 62a_100000210202_100000178776 [0,2,0,0,0,0|1,1,0]=4 8056 B13R1.142 CCSc1ccc(cn1)OC(C)C 62a_100000210202_100012354243 [0,2,0,0,0,0|2,0,0]=4 8057 B13R1.142 CCSc1ccc(cn1)OC(C)C 62a_100012354243_100000210202 [0,2,0,0,0,0|2,0,0]=4 8058 B13R1.142 CCSc1ccc(cn1)OC(F)F 62a_100000210202_100000698515 [0,2,0,0,0,0|2,0,0]=4 8059 B13R1.142 CCSc1ccc(cn1)OC(F)F 62a_100000698515_100000210202 [0,2,0,0,0,0|2,0,0]=4 8060 B13R1.142 CCSc1ccc(nc1)OC(C)C 62a_100000210202_100000688564 [0,2,0,0,0,0|2,0,0]=4 8061 B13R1.142 CCSc1ccc(nc1)OC(C)C 62a_100000688564_100000210202 [0,2,0,0,0,0|2,0,0]=4 8062 B13R1.142 CCSc1ccc(nc1)OC(F)F 62a_100000210202_100000695986 [0,2,0,0,0,0|2,0,0]=4 8063 B13R1.142 CCSc1ccc(nc1)OC(F)F 62a_100000695986_100000210202 [0,2,0,0,0,0|2,0,0]=4 8064 B13R1.142 CN(C)Cc1ccc(cc1)CN[13CH3] 2230a_100000203713_200025704644 [0,2,0,0,0,0|2,0,0]=4 8065 B13R1.142 CN(C)Cc1ccc(cc1)SCF 62a_100000174694_100015361967 [0,2,0,0,0,0|1,1,0]=4 8066 B13R1.142 CN(C)Cc1ccc(cc1)SCF 62a_100015361967_100000174694 [0,2,0,0,0,0|1,1,0]=4 8067 B13R1.142 CNCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000180866 [0,2,0,0,0,0|2,0,0]=4 8068 B13R1.142 CNCc1ccc(cc1)CC(C)C 207a_100102657272_100000749234 [0,2,0,0,0,0|1,0,0]=3 8069 B13R1.142 CNCc1ccc(cc1)CC(C)C 2230a_106832991635_100011982790 [0,2,0,0,0,0|1,0,0]=3 8070 B13R1.142 CNCc1ccc(cc1)CC(C)C 269862a_106832991636_100000749234 [0,2,0,0,0,0|1,0,0]=3 8071 B13R1.142 CNCc1ccc(cc1)CC(C)C 270004a_106832991635_100000749234 [0,2,0,0,0,0|1,0,0]=3 8072 B13R1.142 CNCc1ccc(cc1)CC(C)C 34a_100102657272_100011982790 [0,2,0,0,0,0|1,0,0]=3 8073 B13R1.142 CNCc1ccc(cc1)CC(C)C 7a_106832991635_100011982790 [0,2,0,0,0,0|1,0,0]=3 8074 B13R1.142 CNCc1ccc(cc1)CC(C)N 26a_100102657272_100102634573 [0,2,0,0,0,0|1,0,0]=3 8075 B13R1.142 CNCc1ccc(cc1)CN(C)C 207a_100102657272_100000059705 [0,2,0,0,0,0|2,0,0]=4 8076 B13R1.142 CNCc1ccc(cc1)CN(C)C 2230a_100000203713_200000210301 [0,2,0,0,0,0|2,0,0]=4 8077 B13R1.142 CNCc1ccc(cc1)CN(C)C 270004a_106832991635_100000059705 [0,2,0,0,0,0|2,0,0]=4 8078 B13R1.142 CNCc1ccc(cc1)NC(=O)C 207a_100102657272_100000210072 [0,2,0,0,0,0|2,0,0]=4 8079 B13R1.142 CNCc1ccc(cc1)NC(=O)C 2230a_106832991635_100000731167 [0,2,0,0,0,0|2,0,0]=4 8080 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100000735448_200000210301 [0,2,0,0,0,0|2,0,0]=4 8081 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100102657272_100000731167 [0,2,0,0,0,0|2,0,0]=4 8082 B13R1.142 CNCc1ccc(cc1)NC(=O)C 7a_106832991635_100000731167 [0,2,0,0,0,0|2,0,0]=4 8083 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [0,2,0,0,0,0|1,0,0]=3 8084 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [0,2,0,0,0,0|1,0,0]=3 8085 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [0,2,0,0,0,0|1,0,0]=3 8086 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [0,2,0,0,0,0|1,0,0]=3 8087 B13R1.142 CNCc1ccc(cc1)OC(C)C 207a_100102657272_100000169837 [0,2,0,0,0,0|1,0,0]=3 8088 B13R1.142 CNCc1ccc(cc1)OC(C)C 2230a_100020586559_200000210301 [0,2,0,0,0,0|1,0,0]=3 8089 B13R1.142 CNCc1ccc(cc1)OC(C)C 26a_100102657272_100000757185 [0,2,0,0,0,0|1,0,0]=3 8090 B13R1.142 CNCc1ccc(cc1)OC(C)C 270004a_106832991635_100000169837 [0,2,0,0,0,0|1,0,0]=3 8091 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100000207500_100000210206 [0,2,0,0,0,0|1,0,0]=3 8092 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100020586559_200000210301 [0,2,0,0,0,0|1,0,0]=3 8093 B13R1.142 CNCc1ccc(cc1)OC(F)F 207a_100102657272_100000179041 [0,2,0,0,0,0|1,0,0]=3 8094 B13R1.142 CNCc1ccc(cc1)OC(F)F 2230a_100000181771_200000210301 [0,2,0,0,0,0|1,0,0]=3 8095 B13R1.142 CNCc1ccc(cc1)OC(F)F 2230a_106832991635_100011217905 [0,2,0,0,0,0|1,0,0]=3 8096 B13R1.142 CNCc1ccc(cc1)OC(F)F 270004a_106832991635_100000179041 [0,2,0,0,0,0|1,0,0]=3 8097 B13R1.142 CNCc1ccc(cc1)OC(F)F 34a_100000181771_200000210301 [0,2,0,0,0,0|1,0,0]=3 8098 B13R1.142 CNCc1ccc(cc1)OC(F)F 34a_100102657272_100011217905 [0,2,0,0,0,0|1,0,0]=3 8099 B13R1.142 CNCc1ccc(cc1)OC(F)F 7a_106832991635_100011217905 [0,2,0,0,0,0|1,0,0]=3 8100 B13R1.142 CNCc1ccc(cc1)SC(C)C 207a_100102657272_200011925711 [0,2,0,0,0,0|1,1,0]=4 8101 B13R1.142 CNCc1ccc(cc1)SC(C)C 269862a_106832991636_200011925711 [0,2,0,0,0,0|1,1,0]=4 8102 B13R1.142 CNCc1ccc(cc1)SC(C)C 270004a_106832991635_200011925711 [0,2,0,0,0,0|1,1,0]=4 8103 B13R1.142 CNCc1ccc(cc1)SC(C)C 62a_100000180866_100000210206 [0,2,0,0,0,0|1,1,0]=4 8104 B13R1.142 CNCc1ccc(cc1)SC(C)C 62a_100000210206_100000180866 [0,2,0,0,0,0|1,1,0]=4 8105 B13R1.142 CNCc1ccc(nc1)OC(C)C 207a_100102657272_100011998172 [0,2,0,0,0,0|2,0,0]=4 8106 B13R1.142 CNCc1ccc(nc1)OC(C)C 2230a_100000740622_200000210301 [0,2,0,0,0,0|2,0,0]=4 8107 B13R1.142 CNCc1ccc(nc1)OC(C)C 270004a_106832991635_100011998172 [0,2,0,0,0,0|2,0,0]=4 8108 B13R1.142 CNCc1ccc(nc1)OC(C)C 34a_100000740622_200000210301 [0,2,0,0,0,0|2,0,0]=4 8109 B13R1.142 CNCc1ccc(nc1)OC(F)F 207a_100102657272_100009887948 [0,2,0,0,0,0|2,0,0]=4 8110 B13R1.142 CNCc1ccc(nc1)OC(F)F 2230a_100009887825_200000210301 [0,2,0,0,0,0|2,0,0]=4 8111 B13R1.142 CNCc1ccc(nc1)OC(F)F 2230a_106832991635_100009887947 [0,2,0,0,0,0|2,0,0]=4 8112 B13R1.142 CNCc1ccc(nc1)OC(F)F 270004a_106832991635_100009887948 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.142 CNCc1ccc(nc1)OC(F)F 34a_100009887825_200000210301 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.142 CNCc1ccc(nc1)OC(F)F 34a_100102657272_100009887947 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.142 CNCc1ccc(nc1)OC(F)F 7a_106832991635_100009887947 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [0,2,0,0,0,0|0,0,2]=4 8117 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,2,0,0,0,0|0,0,1]=3 8118 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,2,0,0,0,0|0,0,1]=3 8119 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_100138415774_100011982790 [0,2,0,0,0,0|0,0,0]=2 8120 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_200011266444_200000210301 [0,2,0,0,0,0|0,0,0]=2 8121 B13R1.142 COCc1ccc(cc1)CC(C)C 7a_200011266444_200000210301 [0,2,0,0,0,0|0,0,0]=2 8122 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,2,0,0,0,0|1,0,1]=4 8123 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,2,0,0,0,0|1,0,1]=4 8124 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,2,0,0,0,0|1,0,1]=4 8125 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,2,0,0,0,0|1,0,1]=4 8126 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,2,0,0,0,0|1,0,1]=4 8127 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,2,0,0,0,0|1,0,1]=4 8128 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,2,0,0,0,0|1,0,1]=4 8129 B13R1.142 COCc1ccc(cc1)NC(C)C 34a_100000694113_100000210206 [0,2,0,0,0,0|1,0,0]=3 8130 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_100000173089_200000210301 [0,2,0,0,0,0|1,0,0]=3 8131 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_200011995677_100000210206 [0,2,0,0,0,0|1,0,0]=3 8132 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_100000173089_200000210301 [0,2,0,0,0,0|1,0,0]=3 8133 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_200011995677_100000210206 [0,2,0,0,0,0|1,0,0]=3 8134 B13R1.142 COCc1ccc(cc1)OC(F)F 34a_100000742319_200000210301 [0,2,0,0,0,0|1,0,0]=3 8135 B13R1.142 COCc1ccc(cc1)OC(F)F 34a_100138415774_100011217905 [0,2,0,0,0,0|1,0,0]=3 8136 B13R1.142 COCc1ccc(cc1)OC(F)F 7a_100000742319_200000210301 [0,2,0,0,0,0|1,0,0]=3 8137 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100000210206_100011493685 [0,2,0,0,0,0|1,0,0]=3 8138 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100011493685_100000210206 [0,2,0,0,0,0|1,0,0]=3 8139 B13R1.142 COCc1ccc(nc1)OC(F)F 34a_100138415774_100009887947 [0,2,0,0,0,0|2,0,0]=4 8140 B13R1.142 COCc1ccc(nc1)OC(F)F 34a_200011159515_200000210301 [0,2,0,0,0,0|2,0,0]=4 8141 B13R1.142 CSCc1ccc(cc1)CC(C)C 62a_100011982790_200000210301 [0,2,0,0,0,0|0,1,0]=3 8142 B13R1.142 CSCc1ccc(cc1)CC(C)C 62a_200000210301_100011982790 [0,2,0,0,0,0|0,1,0]=3 8143 B13R1.142 CSCc1ccc(cc1)NC(=O)C 11a_106726388226_100015343762 [0,2,0,0,0,0|2,0,0]=4 8144 B13R1.142 CSCc1ccc(cc1)NC(=O)C 1626a_106726388226_100015343762 [0,2,0,0,0,0|2,0,0]=4 8145 B13R1.142 CSCc1ccc(cc1)NC(=O)C 22a_106726388226_100000070787 [0,2,0,0,0,0|2,0,0]=4 8146 B13R1.142 CSCc1ccc(cc1)NC(=O)C 527a_106726388226_100103153847 [0,2,0,0,0,0|2,0,0]=4 8147 B13R1.142 CSCc1ccc(cc1)NC(=O)C 62a_200000210301_100000731167 [0,2,0,0,0,0|2,0,0]=4 8148 B13R1.142 CSCc1ccc(cc1)NC(C)C 2230a_106726388226_100000210206 [0,2,0,0,0,0|1,1,0]=4 8149 B13R1.142 CSCc1ccc(cc1)NC(C)C 34a_106726388226_100000210206 [0,2,0,0,0,0|1,1,0]=4 8150 B13R1.142 CSCc1ccc(cc1)NC(C)C 7a_106726388226_100000210206 [0,2,0,0,0,0|1,1,0]=4 8151 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [0,2,0,0,0,0|1,0,0]=3 8152 B13R1.142 CSCc1ccc(cc1)OC(F)F 62a_100011217905_200000210301 [0,2,0,0,0,0|1,0,0]=3 8153 B13R1.142 CSCc1ccc(cc1)OC(F)F 62a_200000210301_100011217905 [0,2,0,0,0,0|1,0,0]=3 8154 B13R1.142 CSCc1ccc(nc1)OC(F)F 62a_100009887947_200000210301 [0,2,0,0,0,0|2,0,0]=4 8155 B13R1.142 CSCc1ccc(nc1)OC(F)F 62a_200000210301_100009887947 [0,2,0,0,0,0|2,0,0]=4 8156 B13R1.142 FCNc1ccc(cc1)OC(F)F 34a_100000183591_100015361967 [0,2,0,0,0,0|2,0,0]=4 8157 B13R1.142 FCOc1ccc(cc1)OC(F)F 34a_100011217645_100015361967 [0,2,0,0,0,0|2,0,0]=4 8158 B13R1.142 FCOc1ccc(cc1)OC(F)F 7a_100011217645_100015361967 [0,2,0,0,0,0|2,0,0]=4 8159 B13R1.142 FCSc1ccc(cc1)OC(F)F 62a_100000179047_100015361967 [0,2,0,0,0,0|2,0,0]=4 8160 B13R1.142 FCSc1ccc(cc1)OC(F)F 62a_100015361967_100000179047 [0,2,0,0,0,0|2,0,0]=4 8161 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,2,0,0,0,0|1,0,1]=4 8162 B13R1.142 [13CH3]NCc1ccc(cc1)OC(F)F 2230a_100000181771_200025704644 [0,2,0,0,0,0|1,0,0]=3 8163 B13R1.142 [13CH3]NCc1ccc(cc1)OC(F)F 34a_100000181771_200025704644 [0,2,0,0,0,0|1,0,0]=3 8164 B13R1.142 [13CH3]NCc1ccc(nc1)OC(F)F 2230a_100009887825_200025704644 [0,2,0,0,0,0|2,0,0]=4 8165 B13R1.142 [13CH3]NCc1ccc(nc1)OC(F)F 34a_100009887825_200025704644 [0,2,0,0,0,0|2,0,0]=4 8166 B13R1.142 [13CH3]OCc1ccc(cc1)OC(F)F 34a_100000742319_200025704644 [0,2,0,0,0,0|1,0,0]=3 8167 B13R1.142 [13CH3]OCc1ccc(cc1)OC(F)F 7a_100000742319_200025704644 [0,2,0,0,0,0|1,0,0]=3 8168 B13R1.142 [13CH3]OCc1ccc(nc1)OC(F)F 34a_200011159515_200025704644 [0,2,0,0,0,0|2,0,0]=4 8169 B13R1.142 [13CH3]SCc1ccc(cc1)OC(F)F 62a_100011217905_200025704644 [0,2,0,0,0,0|1,0,0]=3 8170 B13R1.142 [13CH3]SCc1ccc(cc1)OC(F)F 62a_200025704644_100011217905 [0,2,0,0,0,0|1,0,0]=3 8171 B13R1.142 [13CH3]SCc1ccc(nc1)OC(F)F 62a_100009887947_200025704644 [0,2,0,0,0,0|2,0,0]=4 8172 B13R1.142 [13CH3]SCc1ccc(nc1)OC(F)F 62a_200025704644_100009887947 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,2,0,0,0,0|1,0,1]=4 8174 B13R1.585 C=C(C)c1ccc(cc1)CC(C)C 271570a_100000694244_100011221366 [0,2,0,0,0,0|1,0,0]=3 8175 B13R1.585 C=C(C)c1ccc(cc1)CN(C)C 271570a_100000694244_100000174694 [0,2,0,0,0,0|2,0,0]=4 8176 B13R1.585 C=C(C)c1ccc(cc1)NC(C)C 271570a_100000694244_100000219625 [0,2,0,0,0,0|2,0,0]=4 8177 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 271570a_100000694244_100000169947 [0,2,0,0,0,0|2,0,0]=4 8178 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 34a_100009880102_100000210206 [0,2,0,0,0,0|2,0,0]=4 8179 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 7a_100009880102_100000210206 [0,2,0,0,0,0|2,0,0]=4 8180 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 271570a_100000694244_100009811894 [0,2,0,0,0,0|2,0,0]=4 8181 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 62a_100000185454_100000210206 [0,2,0,0,0,0|2,0,0]=4 8182 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 62a_100000210206_100000185454 [0,2,0,0,0,0|2,0,0]=4 8183 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,2,0,0,0,0|1,0,1]=4 8184 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,2,0,0,0,0|1,0,1]=4 8185 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,2,0,0,0,0|1,0,1]=4 8186 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,2,0,0,0,0|1,0,1]=4 8187 B13R1.585 CC(=O)c1ccc(cc1)CC(C)C 1458a_100000185289_200000210301 [0,2,0,0,0,0|1,0,0]=3 8188 B13R1.585 CC(=O)c1ccc(cc1)CN(C)C 1458a_100000749272_200000210301 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.585 CC(=O)c1ccc(cc1)CN(C)C 2230a_100102631434_100000756337 [0,2,0,0,0,0|2,0,0]=4 8190 B13R1.585 CC(=O)c1ccc(cc1)CN(C)C 269982a_100102631434_100000756337 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 1458a_100000182917_200000210301 [0,2,0,0,0,0|2,0,0]=4 8192 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 34a_100000185113_100000210206 [0,2,0,0,0,0|2,0,0]=4 8193 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 7a_100000185113_100000210206 [0,2,0,0,0,0|2,0,0]=4 8194 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 1458a_100000244970_200000210301 [0,2,0,0,0,0|2,0,0]=4 8195 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 62a_100000185465_100000210206 [0,2,0,0,0,0|2,0,0]=4 8196 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000185465 [0,2,0,0,0,0|2,0,0]=4 8197 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000185289_200025704644 [0,2,0,0,0,0|1,0,0]=3 8198 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000210206 [0,2,0,0,0,0|2,0,0]=4 8199 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_100000210206 [0,2,0,0,0,0|2,0,0]=4 8200 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 7a_100000210773_100000210206 [0,2,0,0,0,0|2,0,0]=4 8201 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 2230a_100011216399_100000210206 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 34a_100011216399_100000210206 [0,2,0,0,0,0|2,0,0]=4 8203 B13R1.585 CC(C)Nc1ccc(cc1)N(C)C 34a_100016997997_100000210206 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)[13CH3] 1458a_100000182917_200025704644 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 34a_100000181308_100000210206 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 7a_100000181308_100000210206 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.585 CC(C)Oc1ccc(cc1)C(C)O 34a_100000754508_100000210206 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.585 CC(C)Oc1ccc(cc1)C(C)O 7a_100000754508_100000210206 [0,2,0,0,0,0|2,0,0]=4 8209 B13R1.585 CC(C)Oc1ccc(cc1)N(C)C 34a_100000718910_100000210206 [0,2,0,0,0,0|2,0,0]=4 8210 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_100000210206 [0,2,0,0,0,0|1,1,0]=4 8211 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000210206 [0,2,0,0,0,0|1,1,0]=4 8212 B13R1.585 CC(C)Oc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210206 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.585 CC(C)Oc1ccc(cc1)[S+](C)C 34a_100010188728_100000210206 [0,2,0,0,0,0|1,1,0]=4 8214 B13R1.585 CC(C)Oc1ccc(cc1)[S+](C)C 7a_100010188728_100000210206 [0,2,0,0,0,0|1,1,0]=4 8215 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)[13CH3] 1458a_100000244970_200025704644 [0,2,0,0,0,0|2,0,0]=4 8216 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000210206_100000750031 [0,2,0,0,0,0|2,0,0]=4 8217 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000750031_100000210206 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.585 CC(C)Sc1ccc(cc1)C(C)O 62a_100000210206_100000745893 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.585 CC(C)Sc1ccc(cc1)C(C)O 62a_100000745893_100000210206 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.585 CC(C)Sc1ccc(cc1)N(C)C 62a_100000210206_100000210421 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.585 CC(C)Sc1ccc(cc1)N(C)C 62a_100000210421_100000210206 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.585 CC(C)Sc1ccc(cc1)S(=O)C 62a_100009816266_100000210206 [0,2,0,0,0,0|1,1,0]=4 8223 B13R1.585 CC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000210206_100000720352 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.585 CC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210206 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.585 CC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000210206_100000753911 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.585 CC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210206 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,2,0,0,0,0|1,0,1]=4 8228 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 2230a_100102631434_100000181262 [0,2,0,0,0,0|2,0,0]=4 8229 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 269982a_100102631434_100000181262 [0,2,0,0,0,0|2,0,0]=4 8230 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 270004a_100102631434_100000210693 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.585 CN(C)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000749272_200025704644 [0,2,0,0,0,0|2,0,0]=4 8232 B13R1.585 CN(C)Cc1ccc(cc1)N(C)C 269982a_100000186899_200000210301 [0,2,0,0,0,0|2,0,0]=4 8233 B13R1.585 CN(C)Cc1ccc(cc1)N(C)C 270004a_100102631434_100000185837 [0,2,0,0,0,0|2,0,0]=4 8234 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,2,0,0,0,0|1,0,1]=4 8235 B13R1.585 CN([13CH3])Cc1ccc(cc1)N(C)C 269982a_100000186899_200025704644 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,2,0,0,0,0|0,0,1]=3 8237 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,2,0,0,0,0|0,0,1]=3 8238 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 2230a_200000706018_200025704644 [0,2,0,0,0,0|2,0,0]=4 8239 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 34a_200000706018_200025704644 [0,2,0,0,0,0|2,0,0]=4 8240 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 7a_200000706018_200025704644 [0,2,0,0,0,0|2,0,0]=4 8241 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 2230a_100000737677_200025704644 [0,2,0,0,0,0|2,0,0]=4 8242 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 34a_100000737677_200025704644 [0,2,0,0,0,0|2,0,0]=4 8243 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 7a_100000737677_200025704644 [0,2,0,0,0,0|2,0,0]=4 8244 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_100009811877_200025704644 [0,2,0,0,0,0|1,1,0]=4 8245 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811877 [0,2,0,0,0,0|1,1,0]=4 8246 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_100000690130_200025704644 [0,2,0,0,0,0|1,1,0]=4 8247 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_200025704644_100000690130 [0,2,0,0,0,0|1,1,0]=4 8248 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 2230a_100012339725_100000210206 [0,2,0,0,0,0|2,0,0]=4 8249 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 34a_100012339725_100000210206 [0,2,0,0,0,0|2,0,0]=4 8250 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 34a_100012339963_100000210206 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 7a_100012339963_100000210206 [0,2,0,0,0,0|2,0,0]=4 8252 B13R1.653 CCc1ccc(c(c1)Br)SC(C)C 62a_100000210206_200009997437 [0,2,0,0,0,0|2,0,0]=4 8253 B13R1.653 CCc1ccc(c(c1)Br)SC(C)C 62a_200009997437_100000210206 [0,2,0,0,0,0|2,0,0]=4 8254 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 2230a_100011226020_100000210206 [0,2,0,0,0,0|2,0,0]=4 8255 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 34a_100011226020_100000210206 [0,2,0,0,0,0|2,0,0]=4 8256 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 7a_100011226020_100000210206 [0,2,0,0,0,0|2,0,0]=4 8257 B13R1.653 CCc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011156597 [0,2,0,0,0,0|2,0,0]=4 8258 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 2230a_100016177294_100000210206 [0,2,0,0,0,0|2,0,0]=4 8259 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 34a_100016177294_100000210206 [0,2,0,0,0,0|2,0,0]=4 8260 B13R1.653 CCc1ccc(c(c1)F)SC(C)C 62a_100000210206_200010339503 [0,2,0,0,0,0|2,0,0]=4 8261 B13R1.653 CCc1ccc(c(c1)F)SC(C)C 62a_200010339503_100000210206 [0,2,0,0,0,0|2,0,0]=4 8262 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 34a_100000765835_100000210206 [0,2,0,0,0,0|2,0,0]=4 8263 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 7a_100000765835_100000210206 [0,2,0,0,0,0|2,0,0]=4 8264 B13R1.653 CCc1ccc(c(c1)O)NC(C)C 34a_100000124328_100000210206 [0,2,0,0,0,0|2,0,0]=4 8265 B13R1.653 CN(C)Cc1ccc(cc1F)S[13CH3] 62a_100000174744_200025704644 [0,2,0,0,0,0|1,1,0]=4 8266 B13R1.653 CN(C)Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100000174744 [0,2,0,0,0,0|1,1,0]=4 8267 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 2230a_200000706018_200000210301 [0,2,0,0,0,0|2,0,0]=4 8268 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 34a_200000706018_200000210301 [0,2,0,0,0,0|2,0,0]=4 8269 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 7a_200000706018_200000210301 [0,2,0,0,0,0|2,0,0]=4 8270 B13R1.653 CNc1ccc(c(c1)C)SC(C)C 62a_100000210206_100102888905 [0,2,0,0,0,0|2,0,0]=4 8271 B13R1.653 CNc1ccc(c(c1)C)SC(C)C 62a_100102888905_100000210206 [0,2,0,0,0,0|2,0,0]=4 8272 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 2230a_100000737677_200000210301 [0,2,0,0,0,0|2,0,0]=4 8273 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 34a_100000737677_200000210301 [0,2,0,0,0,0|2,0,0]=4 8274 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 7a_100000737677_200000210301 [0,2,0,0,0,0|2,0,0]=4 8275 B13R1.653 CNc1ccc(c(c1)F)SC(C)C 62a_100000210206_100012285320 [0,2,0,0,0,0|2,0,0]=4 8276 B13R1.653 CNc1ccc(c(c1)F)SC(C)C 62a_100012285320_100000210206 [0,2,0,0,0,0|2,0,0]=4 8277 B13R1.653 COc1cc(c(cn1)CN(C)C)C 270004a_100102631434_100000085380 [0,2,0,0,0,0|2,0,0]=4 8278 B13R1.653 COc1cc(c(cn1)SC(C)C)C 62a_100000210206_100011934368 [0,2,0,0,0,0|2,0,0]=4 8279 B13R1.653 COc1cc(c(cn1)SC(C)C)C 62a_100011934368_100000210206 [0,2,0,0,0,0|2,0,0]=4 8280 B13R1.653 COc1cc(c(cn1)SC(C)C)F 62a_100000210206_100010136277 [0,2,0,0,0,0|2,0,0]=4 8281 B13R1.653 COc1cc(c(cn1)SC(C)C)F 62a_100010136277_100000210206 [0,2,0,0,0,0|2,0,0]=4 8282 B13R1.653 COc1cc(c(cn1)SC(C)C)N 62a_100000210206_100010254562 [0,2,0,0,0,0|2,0,0]=4 8283 B13R1.653 COc1cc(c(cn1)SC(C)C)N 62a_100010254562_100000210206 [0,2,0,0,0,0|2,0,0]=4 8284 B13R1.653 COc1cc(c(cn1)SC(C)C)O 62a_100000210206_100010738159 [0,2,0,0,0,0|2,0,0]=4 8285 B13R1.653 COc1cc(c(cn1)SC(C)C)O 62a_100010738159_100000210206 [0,2,0,0,0,0|2,0,0]=4 8286 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,2,0,0,0,0|0,0,2]=4 8287 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,2,0,0,0,0|0,0,1]=3 8288 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,2,0,0,0,0|0,0,1]=3 8289 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,2,0,0,0,0|0,0,1]=3 8290 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 2230a_100102631434_100011982828 [0,2,0,0,0,0|1,0,0]=3 8291 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 269982a_100102631434_100011982828 [0,2,0,0,0,0|1,0,0]=3 8292 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000723261 [0,2,0,0,0,0|1,0,0]=3 8293 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,2,0,0,0,0|1,0,1]=4 8294 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,2,0,0,0,0|1,0,1]=4 8295 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,2,0,0,0,0|1,0,1]=4 8296 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,2,0,0,0,0|1,0,1]=4 8297 B13R1.653 COc1ccc(c(c1)Br)NC(C)C 34a_100015195136_100000210206 [0,2,0,0,0,0|1,0,0]=3 8298 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 34a_100000685887_100000210206 [0,2,0,0,0,0|1,0,0]=3 8299 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 7a_100000685887_100000210206 [0,2,0,0,0,0|1,0,0]=3 8300 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100012349170 [0,2,0,0,0,0|1,0,0]=3 8301 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100012349170_100000210206 [0,2,0,0,0,0|1,0,0]=3 8302 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,2,0,0,0,0|0,0,2]=4 8303 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,2,0,0,0,0|0,0,1]=3 8304 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,2,0,0,0,0|0,0,1]=3 8305 B13R1.653 COc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100011214997 [0,2,0,0,0,0|1,0,0]=3 8306 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,2,0,0,0,0|1,0,1]=4 8307 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,2,0,0,0,0|1,0,1]=4 8308 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,2,0,0,0,0|1,0,1]=4 8309 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,2,0,0,0,0|1,0,1]=4 8310 B13R1.653 COc1ccc(c(c1)C)NC(C)C 34a_100000750285_100000210206 [0,2,0,0,0,0|1,0,0]=3 8311 B13R1.653 COc1ccc(c(c1)C)OC(C)C 34a_100012002223_100000210206 [0,2,0,0,0,0|1,0,0]=3 8312 B13R1.653 COc1ccc(c(c1)C)OC(C)C 7a_100012002223_100000210206 [0,2,0,0,0,0|1,0,0]=3 8313 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000210206_100000759875 [0,2,0,0,0,0|1,0,0]=3 8314 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000759875_100000210206 [0,2,0,0,0,0|1,0,0]=3 8315 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,2,0,0,0,0|0,0,1]=3 8316 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,2,0,0,0,0|0,0,1]=3 8317 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,2,0,0,0,0|0,0,1]=3 8318 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,2,0,0,0,0|0,0,1]=3 8319 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,2,0,0,0,0|0,0,1]=3 8320 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_200011830453 [0,2,0,0,0,0|1,0,0]=3 8321 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_200011830453 [0,2,0,0,0,0|1,0,0]=3 8322 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100000235372 [0,2,0,0,0,0|1,0,0]=3 8323 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,2,0,0,0,0|1,0,1]=4 8324 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,2,0,0,0,0|1,0,1]=4 8325 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,2,0,0,0,0|1,0,1]=4 8326 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,2,0,0,0,0|1,0,1]=4 8327 B13R1.653 COc1ccc(c(c1)Cl)NC(C)C 34a_100000747055_100000210206 [0,2,0,0,0,0|1,0,0]=3 8328 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 34a_100000038596_100000210206 [0,2,0,0,0,0|1,0,0]=3 8329 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 7a_100000038596_100000210206 [0,2,0,0,0,0|1,0,0]=3 8330 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,2,0,0,0,0|0,0,2]=4 8331 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,2,0,0,0,0|0,0,1]=3 8332 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,2,0,0,0,0|0,0,1]=3 8333 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,2,0,0,0,0|0,0,1]=3 8334 B13R1.653 COc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011260761 [0,2,0,0,0,0|1,0,0]=3 8335 B13R1.653 COc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011260761 [0,2,0,0,0,0|1,0,0]=3 8336 B13R1.653 COc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011216087 [0,2,0,0,0,0|1,0,0]=3 8337 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,2,0,0,0,0|1,0,1]=4 8338 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,2,0,0,0,0|1,0,1]=4 8339 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,2,0,0,0,0|1,0,1]=4 8340 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,2,0,0,0,0|1,0,1]=4 8341 B13R1.653 COc1ccc(c(c1)F)NC(C)C 34a_100011299463_100000210206 [0,2,0,0,0,0|1,0,0]=3 8342 B13R1.653 COc1ccc(c(c1)F)OC(C)C 34a_100000036999_100000210206 [0,2,0,0,0,0|1,0,0]=3 8343 B13R1.653 COc1ccc(c(c1)F)OC(C)C 7a_100000036999_100000210206 [0,2,0,0,0,0|1,0,0]=3 8344 B13R1.653 COc1ccc(c(c1)F)OC(F)F 34a_200009860887_200000210301 [0,2,0,0,0,0|2,0,0]=4 8345 B13R1.653 COc1ccc(c(c1)F)OC(F)F 7a_200009860887_200000210301 [0,2,0,0,0,0|2,0,0]=4 8346 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000210206_100000753793 [0,2,0,0,0,0|1,0,0]=3 8347 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000753793_100000210206 [0,2,0,0,0,0|1,0,0]=3 8348 B13R1.653 COc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010159643 [0,2,0,0,0,0|1,0,0]=3 8349 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,2,0,0,0,0|1,0,1]=4 8350 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,2,0,0,0,0|1,0,1]=4 8351 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,2,0,0,0,0|1,0,1]=4 8352 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,2,0,0,0,0|1,0,1]=4 8353 B13R1.653 COc1ccc(c(c1)I)NC(C)C 34a_100000049804_100000210206 [0,2,0,0,0,0|1,0,0]=3 8354 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,2,0,0,0,0|0,0,2]=4 8355 B13R1.653 COc1ccc(c(c1)N)OC(C)C 34a_100000188146_100000210206 [0,2,0,0,0,0|1,0,0]=3 8356 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000210206_100000748021 [0,2,0,0,0,0|1,0,0]=3 8357 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000748021_100000210206 [0,2,0,0,0,0|1,0,0]=3 8358 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,2,0,0,0,0|0,0,2]=4 8359 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,2,0,0,0,0|1,0,1]=4 8360 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,2,0,0,0,0|1,0,1]=4 8361 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,2,0,0,0,0|1,0,0]=3 8362 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [0,2,0,0,0,0|1,0,0]=3 8363 B13R1.653 COc1ccc(c(n1)C)CN(C)C 270004a_100102631434_100000101190 [0,2,0,0,0,0|2,0,0]=4 8364 B13R1.653 COc1ccc(c(n1)C)OC(C)C 34a_200009873766_100000210206 [0,2,0,0,0,0|2,0,0]=4 8365 B13R1.653 COc1ccc(c(n1)C)SC(C)C 62a_100000210206_100000766551 [0,2,0,0,0,0|2,0,0]=4 8366 B13R1.653 COc1ccc(c(n1)C)SC(C)C 62a_100000766551_100000210206 [0,2,0,0,0,0|2,0,0]=4 8367 B13R1.653 COc1ccc(c(n1)F)SC(C)C 62a_100000210206_100010067559 [0,2,0,0,0,0|2,0,0]=4 8368 B13R1.653 COc1ccc(c(n1)F)SC(C)C 62a_100010067559_100000210206 [0,2,0,0,0,0|2,0,0]=4 8369 B13R1.653 COc1ccc(c(n1)N)SC(C)C 62a_100010187629_100000210206 [0,2,0,0,0,0|2,0,0]=4 8370 B13R1.653 COc1cnc(c(c1)Br)CN(C)C 270004a_100102631434_200010135874 [0,2,0,0,0,0|2,0,0]=4 8371 B13R1.653 COc1cnc(c(c1)C)SC(C)C 62a_100000210206_200009851512 [0,2,0,0,0,0|2,0,0]=4 8372 B13R1.653 COc1cnc(c(c1)N)SC(C)C 62a_100000210206_100010074831 [0,2,0,0,0,0|2,0,0]=4 8373 B13R1.653 COc1cnc(c(c1)N)SC(C)C 62a_100010074831_100000210206 [0,2,0,0,0,0|2,0,0]=4 8374 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200000210301_200011825982 [0,2,0,0,0,0|1,1,0]=4 8375 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200011825982_200000210301 [0,2,0,0,0,0|1,1,0]=4 8376 B13R1.653 CSc1ccc(c(c1)F)CN(C)C 62a_100000174744_200000210301 [0,2,0,0,0,0|1,1,0]=4 8377 B13R1.653 CSc1ccc(c(c1)F)CN(C)C 62a_200000210301_100000174744 [0,2,0,0,0,0|1,1,0]=4 8378 B13R1.653 CSc1ccc(c(c1)F)NC(C)C 34a_100012056844_100000210206 [0,2,0,0,0,0|1,1,0]=4 8379 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_100009811877_200000210301 [0,2,0,0,0,0|1,1,0]=4 8380 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_200000210301_100009811877 [0,2,0,0,0,0|1,1,0]=4 8381 B13R1.653 CSc1ccc(c(c1)F)SC(C)C 62a_100000210206_100009816902 [0,2,0,0,0,0|1,1,0]=4 8382 B13R1.653 CSc1ccc(c(c1)F)SC(C)C 62a_100009816902_100000210206 [0,2,0,0,0,0|1,1,0]=4 8383 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_100000690130_200000210301 [0,2,0,0,0,0|1,1,0]=4 8384 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_200000210301_100000690130 [0,2,0,0,0,0|1,1,0]=4 8385 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200011825982_200025704644 [0,2,0,0,0,0|1,1,0]=4 8386 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200025704644_200011825982 [0,2,0,0,0,0|1,1,0]=4 8387 B13R1.653 [13CH3]Oc1ccc(c(c1)F)OC(F)F 34a_200009860887_200025704644 [0,2,0,0,0,0|2,0,0]=4 8388 B13R1.653 [13CH3]Oc1ccc(c(c1)F)OC(F)F 7a_200009860887_200025704644 [0,2,0,0,0,0|2,0,0]=4 8389 B13R1.39 C=Cc1ccc(cc1)C(CC)NC 271570a_100011290941_100000231127 [0,2,0,0,0,0|1,0,1]=4 8390 B13R1.39 CCC(=NO)c1ccc(cc1)OC 34a_100000740173_200000210301 [0,2,0,0,0,0|0,0,1]=3 8391 B13R1.39 CCC(=NO)c1ccc(cc1)O[13CH3] 34a_100000740173_200025704644 [0,2,0,0,0,0|0,0,1]=3 8392 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,2,0,0,0,0|0,0,0]=2 8393 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,2,0,0,0,0|0,0,0]=2 8394 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,2,0,0,0,0|0,0,0]=2 8395 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_100000231127_200000210301 [0,2,0,0,0,0|0,1,0]=3 8396 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_200000210301_100000231127 [0,2,0,0,0,0|0,1,0]=3 8397 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_100000231127_200025704644 [0,2,0,0,0,0|0,1,0]=3 8398 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231127 [0,2,0,0,0,0|0,1,0]=3 8399 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,2,0,0,0,0|0,0,0]=2 8400 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,2,0,0,0,0|0,0,0]=2 8401 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|0,0,0]=2 8402 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|0,0,0]=2 8403 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|0,0,0]=2 8404 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|0,0,0]=2 8405 B13R1.39 CCN(CC)c1ccc(cc1)NC 7a_100000013458_200000210301 [0,2,0,0,0,0|2,0,0]=4 8406 B13R1.39 CCN(CC)c1ccc(cc1)N[13CH3] 7a_100000013458_200025704644 [0,2,0,0,0,0|2,0,0]=4 8407 B13R1.39 CCN(CC)c1ccc(cc1)SC 62a_200000210301_100011216415 [0,2,0,0,0,0|1,1,0]=4 8408 B13R1.39 CCN(CC)c1ccc(cc1)S[13CH3] 62a_200025704644_100011216415 [0,2,0,0,0,0|1,1,0]=4 8409 B13R1.39 CC[C@@H](NC)c1ccc(nc1)OC 2230a_103436537693_200000210301 [0,2,0,0,0,0|1,0,0]=3 8410 B13R1.39 CC[C@@H](N[13CH3])c1ccc(nc1)OC 2230a_103436537693_200025704644 [0,2,0,0,0,0|1,0,0]=3 8411 B13R1.39 CCc1ccc(cc1)C(CC)NC 269862a_106832991636_100000739966 [0,2,0,0,0,0|1,0,0]=3 8412 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 2230a_100020633697_200000210301 [0,2,0,0,0,0|1,0,0]=3 8413 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 34a_100020633697_200000210301 [0,2,0,0,0,0|1,0,0]=3 8414 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 2230a_100020633697_200025704644 [0,2,0,0,0,0|1,0,0]=3 8415 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 34a_100020633697_200025704644 [0,2,0,0,0,0|1,0,0]=3 8416 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|1,0,0]=3 8417 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|1,0,0]=3 8418 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_100009813454_200000210301 [0,2,0,0,0,0|1,1,0]=4 8419 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_200000210301_100009813454 [0,2,0,0,0,0|1,1,0]=4 8420 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_100009813454_200025704644 [0,2,0,0,0,0|1,1,0]=4 8421 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813454 [0,2,0,0,0,0|1,1,0]=4 8422 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|1,0,0]=3 8423 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|1,0,0]=3 8424 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|1,0,0]=3 8425 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|1,0,0]=3 8426 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|1,0,0]=3 8427 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|1,0,0]=3 8428 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|1,0,0]=3 8429 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|1,0,0]=3 8430 B13R1.95 CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210202 [0,2,0,0,0,0|0,0,1]=3 8431 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [0,2,0,0,0,0|0,0,1]=3 8432 B13R1.95 CCC(=O)c1ccc(cc1C)SC 1458a_100012278374_100000210202 [0,2,0,0,0,0|0,1,1]=4 8433 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200000210301_200012361375 [0,2,0,0,0,0|0,1,1]=4 8434 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200012361375_200000210301 [0,2,0,0,0,0|0,1,1]=4 8435 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200012361375_200025704644 [0,2,0,0,0,0|0,1,1]=4 8436 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_200012361375 [0,2,0,0,0,0|0,1,1]=4 8437 B13R1.95 CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210202 [0,2,0,0,0,0|0,0,1]=3 8438 B13R1.95 CCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210202 [0,2,0,0,0,0|1,0,1]=4 8439 B13R1.95 CCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012360378 [0,2,0,0,0,0|1,0,1]=4 8440 B13R1.95 CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210202 [0,2,0,0,0,0|0,0,1]=3 8441 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_100012360378_200000210301 [0,2,0,0,0,0|0,1,1]=4 8442 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_200000210301_100012360378 [0,2,0,0,0,0|0,1,1]=4 8443 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_100012360378_200025704644 [0,2,0,0,0,0|0,1,1]=4 8444 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100012360378 [0,2,0,0,0,0|0,1,1]=4 8445 B13R1.95 CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210202 [0,2,0,0,0,0|0,0,1]=3 8446 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,2,0,0,0,0|0,0,1]=3 8447 B13R1.95 CCN(C)c1ccc(cc1C)OC 2230a_103496583619_100000210202 [0,2,0,0,0,0|1,0,0]=3 8448 B13R1.95 CCN(C)c1ccc(cc1C)OC 269982a_103496583619_100000204670 [0,2,0,0,0,0|1,0,0]=3 8449 B13R1.95 CCN(C)c1ccc(cc1C)OC 34a_103496583619_100000210202 [0,2,0,0,0,0|1,0,0]=3 8450 B13R1.95 CCN(C)c1ccc(cc1C)OC 38a_103496583619_100000204670 [0,2,0,0,0,0|1,0,0]=3 8451 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [0,2,0,0,0,0|1,0,1]=4 8452 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [0,2,0,0,0,0|1,0,1]=4 8453 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [0,2,0,0,0,0|1,0,1]=4 8454 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [0,2,0,0,0,0|1,0,1]=4 8455 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,2,0,0,0,0|1,0,1]=4 8456 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,2,0,0,0,0|1,0,1]=4 8457 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,2,0,0,0,0|1,0,1]=4 8458 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,2,0,0,0,0|1,0,1]=4 8459 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [0,2,0,0,0,0|1,0,1]=4 8460 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [0,2,0,0,0,0|1,0,1]=4 8461 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [0,2,0,0,0,0|1,0,1]=4 8462 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [0,2,0,0,0,0|1,0,1]=4 8463 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [0,2,0,0,0,0|1,0,1]=4 8464 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [0,2,0,0,0,0|1,0,1]=4 8465 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [0,2,0,0,0,0|1,0,1]=4 8466 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [0,2,0,0,0,0|1,0,1]=4 8467 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [0,2,0,0,0,0|1,0,1]=4 8468 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [0,2,0,0,0,0|1,0,1]=4 8469 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [0,2,0,0,0,0|1,0,1]=4 8470 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [0,2,0,0,0,0|1,0,1]=4 8471 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,2,0,0,0,0|1,0,1]=4 8472 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,2,0,0,0,0|1,0,1]=4 8473 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,2,0,0,0,0|1,0,1]=4 8474 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,2,0,0,0,0|1,0,0]=3 8475 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,2,0,0,0,0|1,0,0]=3 8476 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,2,0,0,0,0|1,0,0]=3 8477 B13R1.95 CNC(C)c1ccc(cc1Cl)SC 269862a_106832991636_100000746310 [0,2,0,0,0,0|1,1,0]=4 8478 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,2,0,0,0,0|1,0,0]=3 8479 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|1,0,0]=3 8480 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,2,0,0,0,0|1,0,0]=3 8481 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,2,0,0,0,0|1,0,0]=3 8482 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,2,0,0,0,0|1,0,0]=3 8483 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,2,0,0,0,0|1,0,0]=3 8484 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|1,0,1]=4 8485 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|1,0,1]=4 8486 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|1,0,1]=4 8487 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|1,0,1]=4 8488 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|1,0,1]=4 8489 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|1,0,1]=4 8490 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|1,0,1]=4 8491 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|1,0,1]=4 8492 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|1,0,1]=4 8493 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|1,0,1]=4 8494 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|1,0,1]=4 8495 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|1,0,1]=4 8496 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|1,0,1]=4 8497 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|1,0,1]=4 8498 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|1,0,1]=4 8499 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|1,0,1]=4 8500 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|1,0,1]=4 8501 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|1,0,1]=4 8502 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|1,0,1]=4 8503 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|1,0,1]=4 8504 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|1,0,1]=4 8505 B13R1.95 COc1ccc(c(c1)Br)C(=O)CF 1458a_100000748873_100015361967 [0,2,0,0,0,0|1,0,1]=4 8506 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|1,0,0]=3 8507 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|1,0,0]=3 8508 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|1,0,0]=3 8509 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|1,0,0]=3 8510 B13R1.95 COc1ccc(c(c1)C)C(=O)CF 1458a_100000763155_100015361967 [0,2,0,0,0,0|1,0,1]=4 8511 B13R1.95 COc1ccc(c(c1)C)N(C)CF 269982a_103496583619_100015361967 [0,2,0,0,0,0|2,0,0]=4 8512 B13R1.95 COc1ccc(c(c1)C)N(C)CF 34a_103496583619_100015361967 [0,2,0,0,0,0|2,0,0]=4 8513 B13R1.95 COc1ccc(c(c1)C)N(C)CF 38a_103496583619_100015361967 [0,2,0,0,0,0|2,0,0]=4 8514 B13R1.95 COc1ccc(c(c1)Cl)C(=O)CF 1458a_100000753557_100015361967 [0,2,0,0,0,0|1,0,1]=4 8515 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,2,0,0,0,0|1,0,0]=3 8516 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,2,0,0,0,0|1,0,0]=3 8517 B13R1.95 COc1ccc(c(c1)F)C(=O)CF 1458a_100000198494_100015361967 [0,2,0,0,0,0|1,0,1]=4 8518 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,2,0,0,0,0|1,0,0]=3 8519 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,2,0,0,0,0|1,0,0]=3 8520 B13R1.95 COc1ccc(c(c1)I)C(=O)CF 1458a_100000688016_100015361967 [0,2,0,0,0,0|1,0,1]=4 8521 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,2,0,0,0,0|1,0,1]=4 8522 B13R1.95 CSc1ccc(c(c1)C)[C@H](N)CO 62a_100138412551_200000210301 [0,2,0,0,0,0|1,1,0]=4 8523 B13R1.95 CSc1ccc(c(c1)C)[C@H](N)CO 62a_200000210301_100138412551 [0,2,0,0,0,0|1,1,0]=4 8524 B13R1.95 Cc1cc(ccc1[C@H](N)CO)S[13CH3] 62a_100138412551_200025704644 [0,2,0,0,0,0|1,1,0]=4 8525 B13R1.95 Cc1cc(ccc1[C@H](N)CO)S[13CH3] 62a_200025704644_100138412551 [0,2,0,0,0,0|1,1,0]=4 8526 B13R1.139 C=C=Cc1ccc(cc1)C(C)CC 271570a_100015277604_100011221364 [0,2,0,0,0,0|1,0,1]=4 8527 B13R1.139 C=C=Cc1ccc(cc1)C(O)CC 271570a_100015277604_100000246506 [0,2,0,0,0,0|1,0,1]=4 8528 B13R1.139 C=C=Cc1ccc(cc1)[C@@H](N)CC 271570a_100015277604_100025736560 [0,2,0,0,0,0|1,0,1]=4 8529 B13R1.139 CC#Cc1ccc(cc1)C(=O)CC 1458a_100009923575_100000210202 [0,2,0,0,0,0|1,0,1]=4 8530 B13R1.139 CC(CN)c1ccc(cc1)OCF 34a_200015188644_100015361967 [0,2,0,0,0,0|1,0,0]=3 8531 B13R1.139 CC=Cc1ccc(cc1)C(=O)CC 271570a_100016259895_100000211647 [0,2,0,0,0,0|1,0,1]=4 8532 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,2,0,0,0,0|0,0,2]=4 8533 B13R1.139 CC=Cc1ccc(cc1)C(C)CC 271570a_100016259895_100011221364 [0,2,0,0,0,0|1,0,0]=3 8534 B13R1.139 CC=Cc1ccc(cc1)C(C)NC 271570a_100016259895_100000231103 [0,2,0,0,0,0|2,0,0]=4 8535 B13R1.139 CC=Cc1ccc(cc1)C(C)OC 271570a_100016259895_100010254937 [0,2,0,0,0,0|0,0,2]=4 8536 B13R1.139 CC=Cc1ccc(cc1)C(N)CO 271570a_100016259895_100000734186 [0,2,0,0,0,0|2,0,0]=4 8537 B13R1.139 CC=Cc1ccc(cc1)C(O)CC 271570a_100016259895_100000246506 [0,2,0,0,0,0|1,0,0]=3 8538 B13R1.139 CC=Cc1ccc(cc1)C(O)CN 271570a_100016259895_100020626992 [0,2,0,0,0,0|2,0,0]=4 8539 B13R1.139 CC=Cc1ccc(cc1)C(O)CO 271570a_100016259895_200012355997 [0,2,0,0,0,0|2,0,0]=4 8540 B13R1.139 CC=Cc1ccc(cc1)[C@@H](N)CC 271570a_100016259895_100025736560 [0,2,0,0,0,0|1,0,0]=3 8541 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,2,0,0,0,0|1,0,1]=4 8542 B13R1.139 CCC(=O)c1ccc(cc1)CNC 26a_100102657272_100000212119 [0,2,0,0,0,0|1,0,1]=4 8543 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,2,0,0,0,0|0,0,1]=3 8544 B13R1.139 CCC(=O)c1ccc(cc1)CSC 1458a_100000175442_100000210202 [0,2,0,0,0,0|0,1,1]=4 8545 B13R1.139 CCC(=O)c1ccc(cc1)OCF 34a_100000212119_100015361967 [0,2,0,0,0,0|0,0,1]=3 8546 B13R1.139 CCC(=O)c1ccc(cc1)OCF 7a_100000212119_100015361967 [0,2,0,0,0,0|0,0,1]=3 8547 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100000211647_100015361967 [0,2,0,0,0,0|0,1,1]=4 8548 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000211647 [0,2,0,0,0,0|0,1,1]=4 8549 B13R1.139 CCC(C)c1ccc(cc1)CNC 26a_100102657272_100000211540 [0,2,0,0,0,0|1,0,0]=3 8550 B13R1.139 CCC(C)c1ccc(cc1)NCF 34a_100000211316_100015361967 [0,2,0,0,0,0|1,0,0]=3 8551 B13R1.139 CCC(C)c1ccc(cc1)NCF 7a_100000211316_100015361967 [0,2,0,0,0,0|1,0,0]=3 8552 B13R1.139 CCC(C)c1ccc(cc1)OCF 34a_100000211540_100015361967 [0,2,0,0,0,0|0,0,0]=2 8553 B13R1.139 CCC(C)c1ccc(cc1)OCF 7a_100000211540_100015361967 [0,2,0,0,0,0|0,0,0]=2 8554 B13R1.139 CCC(C)c1ccc(cc1)SCF 62a_100011221364_100015361967 [0,2,0,0,0,0|0,1,0]=3 8555 B13R1.139 CCC(C)c1ccc(cc1)SCF 62a_100015361967_100011221364 [0,2,0,0,0,0|0,1,0]=3 8556 B13R1.139 CCC(N)c1ccc(cc1)CNC 26a_100102657272_100015187210 [0,2,0,0,0,0|1,0,0]=3 8557 B13R1.139 CCC(N)c1ccc(cc1)OCF 34a_100015187210_100015361967 [0,2,0,0,0,0|0,0,0]=2 8558 B13R1.139 CCC(O)c1ccc(cc1)SCF 62a_100000246506_100015361967 [0,2,0,0,0,0|0,1,0]=3 8559 B13R1.139 CCC(O)c1ccc(cc1)SCF 62a_100015361967_100000246506 [0,2,0,0,0,0|0,1,0]=3 8560 B13R1.139 CCCc1ccc(cc1)C(=O)CC 1458a_100011207308_100000210202 [0,2,0,0,0,0|1,0,0]=3 8561 B13R1.139 CCCc1ccc(cc1)C(=O)CF 1458a_100011207308_100015361967 [0,2,0,0,0,0|1,0,0]=3 8562 B13R1.139 CCCc1ccc(cc1)C(=O)NC 11a_106832991635_100011207308 [0,2,0,0,0,0|1,0,0]=3 8563 B13R1.139 CCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100011207308 [0,2,0,0,0,0|1,0,0]=3 8564 B13R1.139 CCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100011207308 [0,2,0,0,0,0|1,0,0]=3 8565 B13R1.139 CCCc1ccc(cc1)C(=O)NC 527a_100102657272_100011207308 [0,2,0,0,0,0|1,0,0]=3 8566 B13R1.139 CCCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211850 [0,2,0,0,0,0|1,0,0]=3 8567 B13R1.139 CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210202 [0,2,0,0,0,0|2,0,0]=4 8568 B13R1.139 CCNc1ccc(cc1)C(=O)NC 27a_100015525214_100000155074 [0,2,0,0,0,0|2,0,0]=4 8569 B13R1.139 CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210202 [0,2,0,0,0,0|2,0,0]=4 8570 B13R1.139 CCNc1ccc(cc1)C(C)C#N 34a_100000069498_100000210202 [0,2,0,0,0,0|2,0,0]=4 8571 B13R1.139 CCNc1ccc(cc1)C(C)C#N 7a_100000069498_100000210202 [0,2,0,0,0,0|2,0,0]=4 8572 B13R1.139 CCNc1ccc(cc1)C(C)CC 2230a_100000211316_100000210202 [0,2,0,0,0,0|1,0,0]=3 8573 B13R1.139 CCNc1ccc(cc1)C(C)CC 34a_100000211316_100000210202 [0,2,0,0,0,0|1,0,0]=3 8574 B13R1.139 CCNc1ccc(cc1)C(C)CC 7a_100000211316_100000210202 [0,2,0,0,0,0|1,0,0]=3 8575 B13R1.139 CCNc1ccc(cn1)C(=O)OC 27a_100015525214_100000733799 [0,2,0,0,0,0|2,0,0]=4 8576 B13R1.139 CCOc1ccc(cc1)C(=NO)C 34a_100000164205_100000210202 [0,2,0,0,0,0|2,0,0]=4 8577 B13R1.139 CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210202 [0,2,0,0,0,0|1,0,1]=4 8578 B13R1.139 CCOc1ccc(cc1)C(=O)CC 1458a_100000181891_100000210202 [0,2,0,0,0,0|0,0,1]=3 8579 B13R1.139 CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210202 [0,2,0,0,0,0|0,0,1]=3 8580 B13R1.139 CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210202 [0,2,0,0,0,0|0,0,1]=3 8581 B13R1.139 CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210202 [0,2,0,0,0,0|1,0,1]=4 8582 B13R1.139 CCOc1ccc(cc1)C(=O)CF 1458a_100000181891_100015361967 [0,2,0,0,0,0|1,0,1]=4 8583 B13R1.139 CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210202 [0,2,0,0,0,0|1,0,1]=4 8584 B13R1.139 CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210202 [0,2,0,0,0,0|1,0,1]=4 8585 B13R1.139 CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000181891 [0,2,0,0,0,0|1,0,1]=4 8586 B13R1.139 CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000181891 [0,2,0,0,0,0|1,0,1]=4 8587 B13R1.139 CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000181891 [0,2,0,0,0,0|1,0,1]=4 8588 B13R1.139 CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210202 [0,2,0,0,0,0|1,0,1]=4 8589 B13R1.139 CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000181891 [0,2,0,0,0,0|1,0,1]=4 8590 B13R1.139 CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210202 [0,2,0,0,0,0|1,0,1]=4 8591 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [0,2,0,0,0,0|1,0,0]=3 8592 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [0,2,0,0,0,0|1,0,0]=3 8593 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [0,2,0,0,0,0|0,0,0]=2 8594 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [0,2,0,0,0,0|0,0,0]=2 8595 B13R1.139 CCOc1ccc(cc1)C(C)CN 34a_200015188644_100000210202 [0,2,0,0,0,0|1,0,0]=3 8596 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [0,2,0,0,0,0|1,0,0]=3 8597 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [0,2,0,0,0,0|1,0,0]=3 8598 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [0,2,0,0,0,0|1,0,0]=3 8599 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,2,0,0,0,0|1,0,0]=3 8600 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,2,0,0,0,0|1,0,0]=3 8601 B13R1.139 CCOc1ccc(cc1)C(N)CC 34a_100015187210_100000210202 [0,2,0,0,0,0|0,0,0]=2 8602 B13R1.139 CCOc1ccc(cc1)C(O)CN 34a_100000067596_100000210202 [0,2,0,0,0,0|1,0,0]=3 8603 B13R1.139 CCOc1ccc(cc1)N(C)CC 2230a_100025784348_100000210202 [0,2,0,0,0,0|1,0,0]=3 8604 B13R1.139 CCOc1ccc(cc1)N(C)CC 269982a_100025784348_100000204670 [0,2,0,0,0,0|1,0,0]=3 8605 B13R1.139 CCOc1ccc(cc1)N(C)CC 34a_100025784348_100000210202 [0,2,0,0,0,0|1,0,0]=3 8606 B13R1.139 CCOc1ccc(cc1)N(C)CF 269982a_100025784348_100015361967 [0,2,0,0,0,0|2,0,0]=4 8607 B13R1.139 CCOc1ccc(cc1)N(C)CF 34a_100025784348_100015361967 [0,2,0,0,0,0|2,0,0]=4 8608 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,2,0,0,0,0|1,0,0]=3 8609 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,2,0,0,0,0|1,0,0]=3 8610 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,2,0,0,0,0|1,0,0]=3 8611 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,2,0,0,0,0|1,0,0]=3 8612 B13R1.139 CCOc1ccc(cn1)C(C)NC 269862a_106832991636_200012002814 [0,2,0,0,0,0|2,0,0]=4 8613 B13R1.139 CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210202 [0,2,0,0,0,0|2,0,0]=4 8614 B13R1.139 CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210202 [0,2,0,0,0,0|2,0,0]=4 8615 B13R1.139 CCSc1ccc(cc1)C(=O)CC 1458a_100000244969_100000210202 [0,2,0,0,0,0|0,1,1]=4 8616 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000210202_100000211647 [0,2,0,0,0,0|0,1,1]=4 8617 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210202 [0,2,0,0,0,0|0,1,1]=4 8618 B13R1.139 CCSc1ccc(cc1)C(=O)CF 1458a_100000244969_100015361967 [0,2,0,0,0,0|2,0,0]=4 8619 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000210202 [0,2,0,0,0,0|2,0,0]=4 8620 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000210202_100000017248 [0,2,0,0,0,0|2,0,0]=4 8621 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100000210202_100011219529 [0,2,0,0,0,0|2,0,0]=4 8622 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210202 [0,2,0,0,0,0|2,0,0]=4 8623 B13R1.139 CCSc1ccc(cc1)C(=O)NC 11a_106832991635_100000244969 [0,2,0,0,0,0|2,0,0]=4 8624 B13R1.139 CCSc1ccc(cc1)C(=O)NC 1626a_100102657272_100000244969 [0,2,0,0,0,0|2,0,0]=4 8625 B13R1.139 CCSc1ccc(cc1)C(=O)NC 240690a_100102657272_100000244969 [0,2,0,0,0,0|2,0,0]=4 8626 B13R1.139 CCSc1ccc(cc1)C(=O)NC 527a_100102657272_100000244969 [0,2,0,0,0,0|2,0,0]=4 8627 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210202 [0,2,0,0,0,0|2,0,0]=4 8628 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000210202_100000155074 [0,2,0,0,0,0|2,0,0]=4 8629 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [0,2,0,0,0,0|1,0,0]=3 8630 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [0,2,0,0,0,0|1,0,0]=3 8631 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000210202_100000695319 [0,2,0,0,0,0|2,0,0]=4 8632 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000695319_100000210202 [0,2,0,0,0,0|2,0,0]=4 8633 B13R1.139 CCSc1ccc(cc1)C(C)CC 62a_100000210202_100011221364 [0,2,0,0,0,0|0,1,0]=3 8634 B13R1.139 CCSc1ccc(cc1)C(C)CC 62a_100011221364_100000210202 [0,2,0,0,0,0|0,1,0]=3 8635 B13R1.139 CCSc1ccc(cc1)C(C)NC 269862a_106832991636_100000693305 [0,2,0,0,0,0|1,1,0]=4 8636 B13R1.139 CCSc1ccc(cc1)C(C)NC 62a_100000210202_100000231103 [0,2,0,0,0,0|1,1,0]=4 8637 B13R1.139 CCSc1ccc(cc1)C(C)NC 62a_100000231103_100000210202 [0,2,0,0,0,0|1,1,0]=4 8638 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100000210202_100010254937 [0,2,0,0,0,0|1,0,0]=3 8639 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100010254937_100000210202 [0,2,0,0,0,0|1,0,0]=3 8640 B13R1.139 CCSc1ccc(cc1)C(N)CO 62a_100000210202_100000734186 [0,2,0,0,0,0|1,1,0]=4 8641 B13R1.139 CCSc1ccc(cc1)C(N)CO 62a_100000734186_100000210202 [0,2,0,0,0,0|1,1,0]=4 8642 B13R1.139 CCSc1ccc(cc1)C(O)CC 62a_100000210202_100000246506 [0,2,0,0,0,0|0,1,0]=3 8643 B13R1.139 CCSc1ccc(cc1)C(O)CC 62a_100000246506_100000210202 [0,2,0,0,0,0|0,1,0]=3 8644 B13R1.139 CCSc1ccc(cc1)C(O)CN 62a_100000210202_100020626992 [0,2,0,0,0,0|1,1,0]=4 8645 B13R1.139 CCSc1ccc(cc1)C(O)CN 62a_100020626992_100000210202 [0,2,0,0,0,0|1,1,0]=4 8646 B13R1.139 CCSc1ccc(cc1)C(O)CO 62a_100000210202_200012355997 [0,2,0,0,0,0|1,1,0]=4 8647 B13R1.139 CCSc1ccc(cc1)C(O)CO 62a_200012355997_100000210202 [0,2,0,0,0,0|1,1,0]=4 8648 B13R1.139 CCSc1ccc(cc1)[C@@H](N)CC 62a_100000210202_100025736560 [0,2,0,0,0,0|0,1,0]=3 8649 B13R1.139 CCSc1ccc(cc1)[C@@H](N)CC 62a_100025736560_100000210202 [0,2,0,0,0,0|0,1,0]=3 8650 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000210202_100000733799 [0,2,0,0,0,0|2,0,0]=4 8651 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210202 [0,2,0,0,0,0|2,0,0]=4 8652 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100000210202_100102712061 [0,2,0,0,0,0|2,0,0]=4 8653 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210202 [0,2,0,0,0,0|2,0,0]=4 8654 B13R1.139 CC[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100025736560 [0,2,0,0,0,0|0,1,0]=3 8655 B13R1.139 CC[C@H](N)c1ccc(cc1)SCF 62a_100025736560_100015361967 [0,2,0,0,0,0|0,1,0]=3 8656 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 8657 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 8658 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 2230a_100000743749_200025704644 [0,2,0,0,0,0|2,0,0]=4 8659 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 34a_100000743749_200025704644 [0,2,0,0,0,0|2,0,0]=4 8660 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,2,0,0,0,0|1,0,1]=4 8661 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,2,0,0,0,0|1,0,1]=4 8662 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,2,0,0,0,0|1,0,1]=4 8663 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,2,0,0,0,0|1,0,1]=4 8664 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,2,0,0,0,0|1,0,1]=4 8665 B13R1.139 CNC(=O)c1ccc(cc1)CSC 11a_106832991635_100000175442 [0,2,0,0,0,0|2,0,0]=4 8666 B13R1.139 CNC(=O)c1ccc(cc1)CSC 1626a_100102657272_100000175442 [0,2,0,0,0,0|2,0,0]=4 8667 B13R1.139 CNC(=O)c1ccc(cc1)CSC 240690a_100102657272_100000175442 [0,2,0,0,0,0|2,0,0]=4 8668 B13R1.139 CNC(=O)c1ccc(cc1)CSC 527a_100102657272_100000175442 [0,2,0,0,0,0|2,0,0]=4 8669 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_100000753832_200000210301 [0,2,0,0,0,0|2,0,0]=4 8670 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_200000210301_100000753832 [0,2,0,0,0,0|2,0,0]=4 8671 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_100000753832_200025704644 [0,2,0,0,0,0|2,0,0]=4 8672 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000753832 [0,2,0,0,0,0|2,0,0]=4 8673 B13R1.139 CNC(=O)c1ccc(cc1)OCF 34a_100000192141_100015361967 [0,2,0,0,0,0|1,0,1]=4 8674 B13R1.139 CNC(=O)c1ccc(cc1)OCF 7a_100000192141_100015361967 [0,2,0,0,0,0|1,0,1]=4 8675 B13R1.139 CNC(C)c1ccc(cc1)SCF 62a_100000231103_100015361967 [0,2,0,0,0,0|1,1,0]=4 8676 B13R1.139 CNC(C)c1ccc(cc1)SCF 62a_100015361967_100000231103 [0,2,0,0,0,0|1,1,0]=4 8677 B13R1.139 CNCc1ccc(cc1)C(=O)CBr 26a_100102657272_100009814261 [0,2,0,0,0,0|2,0,0]=4 8678 B13R1.139 CNCc1ccc(cc1)C(=O)CCl 26a_100102657272_100000018856 [0,2,0,0,0,0|2,0,0]=4 8679 B13R1.139 CNCc1ccc(cc1)C(=O)CF 26a_100102657272_200010654591 [0,2,0,0,0,0|2,0,0]=4 8680 B13R1.139 CNCc1ccc(cc1)C(=O)NC 207a_100102657272_100000043907 [0,2,0,0,0,0|2,0,0]=4 8681 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_100000743749_200000210301 [0,2,0,0,0,0|2,0,0]=4 8682 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_106832991635_100000753832 [0,2,0,0,0,0|2,0,0]=4 8683 B13R1.139 CNCc1ccc(cc1)C(=O)NC 270004a_106832991635_100000043907 [0,2,0,0,0,0|2,0,0]=4 8684 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100000743749_200000210301 [0,2,0,0,0,0|2,0,0]=4 8685 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100102657272_100000753832 [0,2,0,0,0,0|2,0,0]=4 8686 B13R1.139 CNCc1ccc(cc1)C(=O)NC 7a_106832991635_100000753832 [0,2,0,0,0,0|2,0,0]=4 8687 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,2,0,0,0,0|1,0,0]=3 8688 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,2,0,0,0,0|1,0,0]=3 8689 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,2,0,0,0,0|1,0,0]=3 8690 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,2,0,0,0,0|1,0,0]=3 8691 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,2,0,0,0,0|1,0,0]=3 8692 B13R1.139 CNCc1ccc(cc1)C(C)CN 26a_100102657272_200015188644 [0,2,0,0,0,0|2,0,0]=4 8693 B13R1.139 CNCc1ccc(cc1)C(C)OC 26a_100102657272_200010658654 [0,2,0,0,0,0|1,0,0]=3 8694 B13R1.139 CNCc1ccc(cc1)C(O)CN 26a_100102657272_100000067596 [0,2,0,0,0,0|2,0,0]=4 8695 B13R1.139 CNCc1ccc(cn1)C(=O)OC 2230a_106832991635_100000063545 [0,2,0,0,0,0|2,0,0]=4 8696 B13R1.139 CNCc1ccc(cn1)C(=O)OC 270004a_106832991635_100000762506 [0,2,0,0,0,0|2,0,0]=4 8697 B13R1.139 CNCc1ccc(cn1)C(=O)OC 34a_100102657272_100010230174 [0,2,0,0,0,0|2,0,0]=4 8698 B13R1.139 CNCc1ccc(cn1)C(=O)OC 7a_106832991635_100000063545 [0,2,0,0,0,0|2,0,0]=4 8699 B13R1.139 CNCc1ccc(nc1)C(=O)OC 2230a_106832991635_100010177729 [0,2,0,0,0,0|2,0,0]=4 8700 B13R1.139 CNCc1ccc(nc1)C(=O)OC 270004a_106832991635_102516457225 [0,2,0,0,0,0|2,0,0]=4 8701 B13R1.139 CNCc1ccc(nc1)C(=O)OC 34a_100102657272_100010177729 [0,2,0,0,0,0|2,0,0]=4 8702 B13R1.139 CNCc1ccc(nc1)C(=O)OC 7a_106832991635_100010177729 [0,2,0,0,0,0|2,0,0]=4 8703 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|1,0,0]=3 8704 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|1,0,0]=3 8705 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,2,0,0,0,0|1,0,0]=3 8706 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,2,0,0,0,0|1,0,0]=3 8707 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,2,0,0,0,0|1,0,0]=3 8708 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,2,0,0,0,0|1,0,0]=3 8709 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [0,2,0,0,0,0|1,0,1]=4 8710 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [0,2,0,0,0,0|1,0,1]=4 8711 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100000150774_100015361967 [0,2,0,0,0,0|2,0,0]=4 8712 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100015361967_100000150774 [0,2,0,0,0,0|2,0,0]=4 8713 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 34a_100009873365_200025704644 [0,2,0,0,0,0|2,0,0]=4 8714 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 7a_100009873365_200025704644 [0,2,0,0,0,0|2,0,0]=4 8715 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_100010177729_200000210301 [0,2,0,0,0,0|2,0,0]=4 8716 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_200000210301_100010177729 [0,2,0,0,0,0|2,0,0]=4 8717 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_100010177729_200025704644 [0,2,0,0,0,0|2,0,0]=4 8718 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_200025704644_100010177729 [0,2,0,0,0,0|2,0,0]=4 8719 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,2,0,0,0,0|2,0,0]=4 8720 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_100010230174_200000210301 [0,2,0,0,0,0|2,0,0]=4 8721 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_200000210301_100010230174 [0,2,0,0,0,0|2,0,0]=4 8722 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_100010230174_200025704644 [0,2,0,0,0,0|2,0,0]=4 8723 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_200025704644_100010230174 [0,2,0,0,0,0|2,0,0]=4 8724 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,2,0,0,0,0|1,0,0]=3 8725 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,2,0,0,0,0|1,0,0]=3 8726 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100010254937_100015361967 [0,2,0,0,0,0|1,1,0]=4 8727 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100015361967_100010254937 [0,2,0,0,0,0|1,1,0]=4 8728 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,2,0,0,0,0|1,0,1]=4 8729 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|1,0,0]=3 8730 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|1,0,0]=3 8731 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|1,0,0]=3 8732 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,2,0,0,0,0|2,0,0]=4 8733 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,2,0,0,0,0|2,0,0]=4 8734 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100009873365_200000210301 [0,2,0,0,0,0|2,0,0]=4 8735 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100138415774_100010177729 [0,2,0,0,0,0|2,0,0]=4 8736 B13R1.139 COCc1ccc(nc1)C(=O)OC 7a_100009873365_200000210301 [0,2,0,0,0,0|2,0,0]=4 8737 B13R1.139 CSCc1ccc(cc1)C(=O)CF 1458a_100000175442_100015361967 [0,2,0,0,0,0|2,0,0]=4 8738 B13R1.139 NC(CO)c1ccc(cc1)SCF 62a_100000734186_100015361967 [0,2,0,0,0,0|1,1,0]=4 8739 B13R1.139 NC(CO)c1ccc(cc1)SCF 62a_100015361967_100000734186 [0,2,0,0,0,0|1,1,0]=4 8740 B13R1.139 NCC(O)c1ccc(cc1)OCF 34a_100000067596_100015361967 [0,2,0,0,0,0|1,0,0]=3 8741 B13R1.139 NCC(O)c1ccc(cc1)SCF 62a_100015361967_100020626992 [0,2,0,0,0,0|1,1,0]=4 8742 B13R1.139 NCC(O)c1ccc(cc1)SCF 62a_100020626992_100015361967 [0,2,0,0,0,0|1,1,0]=4 8743 B13R1.139 O=C(CBr)c1ccc(cc1)OCF 7a_100009814261_100015361967 [0,2,0,0,0,0|1,0,1]=4 8744 B13R1.139 O=C(CCl)c1ccc(cc1)OCF 7a_100000018856_100015361967 [0,2,0,0,0,0|1,0,1]=4 8745 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,2,0,0,0,0|2,0,0]=4 8746 B13R1.139 O=C(CF)c1ccc(cc1)OCF 34a_200010654591_100015361967 [0,2,0,0,0,0|1,0,1]=4 8747 B13R1.139 O=C(CF)c1ccc(cc1)OCF 7a_200010654591_100015361967 [0,2,0,0,0,0|1,0,1]=4 8748 B13R1.139 OCC(O)c1ccc(cc1)SCF 62a_100015361967_200012355997 [0,2,0,0,0,0|1,1,0]=4 8749 B13R1.139 OCC(O)c1ccc(cc1)SCF 62a_200012355997_100015361967 [0,2,0,0,0,0|1,1,0]=4 8750 B13R1.187 C=Cc1ccc(cc1)C(F)(F)CC 271570a_100011290941_100010208532 [0,2,0,0,0,0|1,0,1]=4 8751 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 34a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 8752 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 7a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 8753 B13R1.187 CC(C)(CO)c1ccc(cc1)N[13CH3] 34a_103496529068_200025704644 [0,2,0,0,0,0|2,0,0]=4 8754 B13R1.187 CCC(C)(C)c1ccc(cc1)OC 7a_100000211029_200000210301 [0,2,0,0,0,0|0,0,0]=2 8755 B13R1.187 CCC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000211029_200025704644 [0,2,0,0,0,0|0,0,0]=2 8756 B13R1.187 CCC(F)(F)c1ccc(cc1)SC 62a_100010208532_200000210301 [0,2,0,0,0,0|0,1,0]=3 8757 B13R1.187 CCC(F)(F)c1ccc(cc1)SC 62a_200000210301_100010208532 [0,2,0,0,0,0|0,1,0]=3 8758 B13R1.187 CCC(F)(F)c1ccc(cc1)S[13CH3] 62a_100010208532_200025704644 [0,2,0,0,0,0|0,1,0]=3 8759 B13R1.187 CCC(F)(F)c1ccc(cc1)S[13CH3] 62a_200025704644_100010208532 [0,2,0,0,0,0|0,1,0]=3 8760 B13R1.187 CCS(=O)(=O)c1ccc(cc1)NC 34a_100000737813_200000210301 [0,2,0,0,0,0|2,0,0]=4 8761 B13R1.187 CCS(=O)(=O)c1ccc(cc1)NC 7a_100000737813_200000210301 [0,2,0,0,0,0|2,0,0]=4 8762 B13R1.187 CCS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000737813_200025704644 [0,2,0,0,0,0|2,0,0]=4 8763 B13R1.187 CCS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000737813_200025704644 [0,2,0,0,0,0|2,0,0]=4 8764 B13R1.187 CCS(=O)(=O)c1ccc(cc1)SC 62a_100000765143_200000210301 [0,2,0,0,0,0|1,1,0]=4 8765 B13R1.187 CCS(=O)(=O)c1ccc(cc1)SC 62a_200000210301_100000765143 [0,2,0,0,0,0|1,1,0]=4 8766 B13R1.187 CCS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765143_200025704644 [0,2,0,0,0,0|1,1,0]=4 8767 B13R1.187 CCS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765143 [0,2,0,0,0,0|1,1,0]=4 8768 B13R1.187 CNC(C)(C)c1ccc(cc1)OC 2230a_200015186604_200000210301 [0,2,0,0,0,0|1,0,0]=3 8769 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 270084a_100102657272_100000182833 [0,2,0,0,0,0|2,0,0]=4 8770 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 274078a_100102657272_100000182833 [0,2,0,0,0,0|2,0,0]=4 8771 B13R1.187 CNc1ccc(cc1)C(C)(C)CO 34a_103496529068_200000210301 [0,2,0,0,0,0|2,0,0]=4 8772 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 34a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 8773 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 7a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 8774 B13R1.187 COc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200015186604_200025704644 [0,2,0,0,0,0|1,0,0]=3 8775 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|1,0,0]=3 8776 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|1,0,0]=3 8777 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|1,0,0]=3 8778 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|1,0,0]=3 8779 B13R1.452 C#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000184674 [0,2,0,0,0,0|0,0,2]=4 8780 B13R1.452 C#CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000038162 [0,2,0,0,0,0|0,0,2]=4 8781 B13R1.452 C#CCN(C)c1ccc(cc1)OC 34a_100000220023_100000184674 [0,2,0,0,0,0|0,0,2]=4 8782 B13R1.452 C#Cc1ccc(cc1)C(=O)CCC 1458a_100011217615_100000210303 [0,2,0,0,0,0|1,0,1]=4 8783 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,2,0,0,0,0|0,0,2]=4 8784 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_100011466436_200000210301 [0,2,0,0,0,0|0,1,1]=4 8785 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_200000210301_100011466436 [0,2,0,0,0,0|0,1,1]=4 8786 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_100011466436_200025704644 [0,2,0,0,0,0|0,1,1]=4 8787 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011466436 [0,2,0,0,0,0|0,1,1]=4 8788 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,2,0,0,0,0|0,0,2]=4 8789 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,2,0,0,0,0|0,0,2]=4 8790 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,2,0,0,0,0|0,0,2]=4 8791 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 1458a_100000687532_100000210303 [0,2,0,0,0,0|1,0,1]=4 8792 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 271570a_100011290941_100011267722 [0,2,0,0,0,0|1,0,1]=4 8793 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 2230a_200012023546_100000210202 [0,2,0,0,0,0|1,0,1]=4 8794 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 34a_200012023546_100000210202 [0,2,0,0,0,0|1,0,1]=4 8795 B13R1.452 C=Cc1ccc(cc1)C(O)CCC 271570a_100011290941_100011350873 [0,2,0,0,0,0|1,0,1]=4 8796 B13R1.452 C=Cc1ccc(cc1)[C@@H](N)CCO 271570a_100011290941_102125605589 [0,2,0,0,0,0|1,0,1]=4 8797 B13R1.452 CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210303 [0,2,0,0,0,0|2,0,0]=4 8798 B13R1.452 CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210303 [0,2,0,0,0,0|1,0,0]=3 8799 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,2,0,0,0,0|2,0,0]=4 8800 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,2,0,0,0,0|0,0,0]=2 8801 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,2,0,0,0,0|0,0,0]=2 8802 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,2,0,0,0,0|0,0,0]=2 8803 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,2,0,0,0,0|0,0,0]=2 8804 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,2,0,0,0,0|0,0,0]=2 8805 B13R1.452 CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210303 [0,2,0,0,0,0|0,1,0]=3 8806 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_100011267722_200000210301 [0,2,0,0,0,0|0,1,0]=3 8807 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011267722 [0,2,0,0,0,0|0,1,0]=3 8808 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011267722_200025704644 [0,2,0,0,0,0|0,1,0]=3 8809 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011267722 [0,2,0,0,0,0|0,1,0]=3 8810 B13R1.452 CCCC(=O)c1ccc(nc1)NC 27a_100102657272_200012185933 [0,2,0,0,0,0|2,0,0]=4 8811 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200000210301_200012185933 [0,2,0,0,0,0|1,1,0]=4 8812 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200012185933_200000210301 [0,2,0,0,0,0|1,1,0]=4 8813 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200012185933_200025704644 [0,2,0,0,0,0|1,1,0]=4 8814 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_200012185933 [0,2,0,0,0,0|1,1,0]=4 8815 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_100011350873_200000210301 [0,2,0,0,0,0|0,1,0]=3 8816 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_200000210301_100011350873 [0,2,0,0,0,0|0,1,0]=3 8817 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_100011350873_200025704644 [0,2,0,0,0,0|0,1,0]=3 8818 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011350873 [0,2,0,0,0,0|0,1,0]=3 8819 B13R1.452 CCCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000210303 [0,2,0,0,0,0|2,0,0]=4 8820 B13R1.452 CCCN(C)c1ccc(cc1)C#N 269982a_200000237418_200000210301 [0,2,0,0,0,0|2,0,0]=4 8821 B13R1.452 CCCN(C)c1ccc(cc1)C#N 34a_100000739737_100000210303 [0,2,0,0,0,0|2,0,0]=4 8822 B13R1.452 CCCN(C)c1ccc(cc1)C#N 34a_200000237418_200000210301 [0,2,0,0,0,0|2,0,0]=4 8823 B13R1.452 CCCN(C)c1ccc(cc1)C#N 7a_200000237418_200000210301 [0,2,0,0,0,0|2,0,0]=4 8824 B13R1.452 CCCN(C)c1ccc(cc1)CC 2230a_100011231861_200000210301 [0,2,0,0,0,0|1,0,0]=3 8825 B13R1.452 CCCN(C)c1ccc(cc1)CC 269982a_100011231861_200000210301 [0,2,0,0,0,0|1,0,0]=3 8826 B13R1.452 CCCN(C)c1ccc(cc1)CC 34a_100011231861_200000210301 [0,2,0,0,0,0|1,0,0]=3 8827 B13R1.452 CCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210303 [0,2,0,0,0,0|0,0,0]=2 8828 B13R1.452 CCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210303 [0,2,0,0,0,0|0,0,0]=2 8829 B13R1.452 CCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210303 [0,2,0,0,0,0|0,0,0]=2 8830 B13R1.452 CCCN(C)c1ccc(cn1)SC 27a_100000747261_100009820866 [0,2,0,0,0,0|1,1,0]=4 8831 B13R1.452 CCCN(C)c1ccc(nn1)OC 27a_100000747261_100010231723 [0,2,0,0,0,0|2,0,0]=4 8832 B13R1.452 CCCN(C)c1ncc(cn1)OC 27a_100000747261_100000069167 [0,2,0,0,0,0|2,0,0]=4 8833 B13R1.452 CCCN([13CH3])c1ccc(cc1)C#N 269982a_200000237418_200025704644 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.452 CCCN([13CH3])c1ccc(cc1)C#N 34a_200000237418_200025704644 [0,2,0,0,0,0|2,0,0]=4 8835 B13R1.452 CCCN([13CH3])c1ccc(cc1)C#N 7a_200000237418_200025704644 [0,2,0,0,0,0|2,0,0]=4 8836 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 2230a_100011231861_200025704644 [0,2,0,0,0,0|1,0,0]=3 8837 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 269982a_100011231861_200025704644 [0,2,0,0,0,0|1,0,0]=3 8838 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 34a_100011231861_200025704644 [0,2,0,0,0,0|1,0,0]=3 8839 B13R1.452 CCNC(=O)c1ccc(cc1)CC 11a_100015525214_100000211226 [0,2,0,0,0,0|1,0,1]=4 8840 B13R1.452 CCNC(=O)c1ccc(cc1)CC 240690a_100015525214_100000211226 [0,2,0,0,0,0|1,0,1]=4 8841 B13R1.452 CCNC(=O)c1ccc(cc1)CC 527a_100015525214_100000211226 [0,2,0,0,0,0|1,0,1]=4 8842 B13R1.452 CCNC(=O)c1ccc(cc1)NC 2230a_100000741011_200000210301 [0,2,0,0,0,0|1,0,1]=4 8843 B13R1.452 CCNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155177 [0,2,0,0,0,0|1,0,1]=4 8844 B13R1.452 CCNC(=O)c1ccc(cc1)NC 34a_100000741011_200000210301 [0,2,0,0,0,0|1,0,1]=4 8845 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000741011_200025704644 [0,2,0,0,0,0|1,0,1]=4 8846 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000741011_200025704644 [0,2,0,0,0,0|1,0,1]=4 8847 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [0,2,0,0,0,0|0,0,1]=3 8848 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [0,2,0,0,0,0|0,0,1]=3 8849 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [0,2,0,0,0,0|0,0,1]=3 8850 B13R1.452 CCNC(=O)c1ccc(cc1)SC 11a_100015525214_100000189692 [0,2,0,0,0,0|0,1,1]=4 8851 B13R1.452 CCNC(=O)c1ccc(cc1)SC 240690a_100015525214_100000189692 [0,2,0,0,0,0|0,1,1]=4 8852 B13R1.452 CCNC(=O)c1ccc(cc1)SC 527a_100015525214_100000189692 [0,2,0,0,0,0|0,1,1]=4 8853 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_100000155177_200000210301 [0,2,0,0,0,0|0,1,1]=4 8854 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155177 [0,2,0,0,0,0|0,1,1]=4 8855 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155177_200025704644 [0,2,0,0,0,0|0,1,1]=4 8856 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155177 [0,2,0,0,0,0|0,1,1]=4 8857 B13R1.452 CCNC(C)c1ccc(cc1)C#N 269862a_100015525214_100000182420 [0,2,0,0,0,0|2,0,0]=4 8858 B13R1.452 CCNC(C)c1ccc(cc1)CC 2230a_100015186439_100000210202 [0,2,0,0,0,0|1,0,0]=3 8859 B13R1.452 CCNC(C)c1ccc(cc1)CC 269862a_100015525214_100000211630 [0,2,0,0,0,0|1,0,0]=3 8860 B13R1.452 CCNC(C)c1ccc(cc1)CC 34a_100015186439_100000210202 [0,2,0,0,0,0|1,0,0]=3 8861 B13R1.452 CCNC(C)c1ccc(cc1)CO 269862a_100015525214_100000082505 [0,2,0,0,0,0|2,0,0]=4 8862 B13R1.452 CCNC(C)c1ccc(cc1)NC 269862a_100015525214_100011806243 [0,2,0,0,0,0|1,0,0]=3 8863 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,2,0,0,0,0|0,0,0]=2 8864 B13R1.452 CCNC(C)c1ccc(cc1)SC 2230a_100000738722_100000210202 [0,2,0,0,0,0|0,1,0]=3 8865 B13R1.452 CCNC(C)c1ccc(cc1)SC 269862a_100015525214_100000185071 [0,2,0,0,0,0|0,1,0]=3 8866 B13R1.452 CCNC(C)c1ccc(nc1)OC 269862a_100015525214_100011934396 [0,2,0,0,0,0|1,0,0]=3 8867 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_100000210202 [0,2,0,0,0,0|2,0,0]=4 8868 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_100000210202 [0,2,0,0,0,0|2,0,0]=4 8869 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,2,0,0,0,0|0,0,0]=2 8870 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,2,0,0,0,0|0,0,1]=3 8871 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,2,0,0,0,0|0,0,1]=3 8872 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,2,0,0,0,0|0,0,1]=3 8873 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,2,0,0,0,0|0,0,1]=3 8874 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,2,0,0,0,0|0,1,1]=4 8875 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,2,0,0,0,0|0,1,1]=4 8876 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,2,0,0,0,0|0,1,1]=4 8877 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,2,0,0,0,0|0,1,1]=4 8878 B13R1.452 CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210202 [0,2,0,0,0,0|1,0,0]=3 8879 B13R1.452 CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210202 [0,2,0,0,0,0|1,0,0]=3 8880 B13R1.452 CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210202 [0,2,0,0,0,0|2,0,0]=4 8881 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|0,0,0]=2 8882 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|0,0,0]=2 8883 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210202 [0,2,0,0,0,0|2,0,0]=4 8884 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210202 [0,2,0,0,0,0|2,0,0]=4 8885 B13R1.452 CCc1ccc(cc1)C(=O)CCF 1458a_100000211226_100011217306 [0,2,0,0,0,0|1,0,1]=4 8886 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|1,0,1]=4 8887 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,2,0,0,0,0|1,0,1]=4 8888 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,2,0,0,0,0|1,0,1]=4 8889 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_100000689809_200000210301 [0,2,0,0,0,0|1,0,1]=4 8890 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000689809 [0,2,0,0,0,0|1,0,1]=4 8891 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000689809_200025704644 [0,2,0,0,0,0|1,0,1]=4 8892 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000689809 [0,2,0,0,0,0|1,0,1]=4 8893 B13R1.452 CCc1ccc(cc1)C(C)NCF 34a_100015186439_100015361967 [0,2,0,0,0,0|2,0,0]=4 8894 B13R1.452 CCc1ccc(cc1)C(C)OCF 34a_100011232672_100015361967 [0,2,0,0,0,0|2,0,0]=4 8895 B13R1.452 CCc1ccc(cc1)C(C)OCF 7a_100011232672_100015361967 [0,2,0,0,0,0|2,0,0]=4 8896 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,2,0,0,0,0|0,0,1]=3 8897 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,2,0,0,0,0|0,0,1]=3 8898 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,2,0,0,0,0|0,1,1]=4 8899 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,2,0,0,0,0|0,1,1]=4 8900 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|0,0,0]=2 8901 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|0,0,0]=2 8902 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|0,0,0]=2 8903 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|0,0,0]=2 8904 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,2,0,0,0,0|1,0,1]=4 8905 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|0,0,1]=3 8906 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|0,0,1]=3 8907 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|0,0,1]=3 8908 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|0,0,1]=3 8909 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,2,0,0,0,0|0,1,1]=4 8910 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,2,0,0,0,0|0,1,1]=4 8911 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,2,0,0,0,0|0,1,1]=4 8912 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|0,0,0]=2 8913 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,2,0,0,0,0|1,0,0]=3 8914 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,2,0,0,0,0|1,0,0]=3 8915 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,2,0,0,0,0|0,0,2]=4 8916 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,2,0,0,0,0|0,0,2]=4 8917 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,2,0,0,0,0|0,0,1]=3 8918 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,2,0,0,0,0|0,0,1]=3 8919 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|0,0,1]=3 8920 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,2,0,0,0,0|0,0,1]=3 8921 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,2,0,0,0,0|0,0,1]=3 8922 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,2,0,0,0,0|0,0,1]=3 8923 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,2,0,0,0,0|0,0,1]=3 8924 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,2,0,0,0,0|1,0,0]=3 8925 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,2,0,0,0,0|1,0,0]=3 8926 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|0,0,0]=2 8927 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|0,0,0]=2 8928 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|0,0,0]=2 8929 B13R1.452 COc1ccc(cc1)N(C)CC#N 2230a_100000220023_100011215382 [0,2,0,0,0,0|1,0,1]=4 8930 B13R1.452 COc1ccc(cc1)N(C)CC#N 269982a_100000220023_100011214920 [0,2,0,0,0,0|1,0,1]=4 8931 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,2,0,0,0,0|1,0,1]=4 8932 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,2,0,0,0,0|1,0,1]=4 8933 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,2,0,0,0,0|1,0,1]=4 8934 B13R1.452 COc1ccc(cc1)N(C)CCF 2230a_100000220023_100011217306 [0,2,0,0,0,0|1,0,0]=3 8935 B13R1.452 COc1ccc(cc1)N(C)CCF 269982a_100000220023_100011217306 [0,2,0,0,0,0|1,0,0]=3 8936 B13R1.452 COc1ccc(cc1)N(C)CCF 34a_100000220023_100011217306 [0,2,0,0,0,0|1,0,0]=3 8937 B13R1.452 COc1ccc(cc1)N(C)CCO 2230a_100000220023_100000211926 [0,2,0,0,0,0|1,0,0]=3 8938 B13R1.452 COc1ccc(cc1)N(C)CCO 269982a_100000220023_100000211926 [0,2,0,0,0,0|1,0,0]=3 8939 B13R1.452 COc1ccc(cc1)N(C)CCO 34a_100000220023_100000211926 [0,2,0,0,0,0|1,0,0]=3 8940 B13R1.452 COc1ccc(cc1)N(C)CSC 2230a_100000220023_100011218213 [0,2,0,0,0,0|1,0,0]=3 8941 B13R1.452 COc1ccc(cc1)N(C)CSC 269982a_100000220023_100011218213 [0,2,0,0,0,0|1,0,0]=3 8942 B13R1.452 COc1ccc(cc1)N(C)CSC 34a_100000220023_100011218213 [0,2,0,0,0,0|1,0,0]=3 8943 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_100011216809_200000210301 [0,2,0,0,0,0|0,1,1]=4 8944 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_200000210301_100011216809 [0,2,0,0,0,0|0,1,1]=4 8945 B13R1.452 CSc1ccc(cc1)C(=O)CCF 1458a_100000189692_100011217306 [0,2,0,0,0,0|0,1,1]=4 8946 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|0,1,1]=4 8947 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_100011216809_200025704644 [0,2,0,0,0,0|0,1,1]=4 8948 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100011216809 [0,2,0,0,0,0|0,1,1]=4 8949 B13R1.452 CSc1ccc(cc1)[C@@H](N)CCO 62a_102125605589_200000210301 [0,2,0,0,0,0|0,1,0]=3 8950 B13R1.452 CSc1ccc(cc1)[C@@H](N)CCO 62a_200000210301_102125605589 [0,2,0,0,0,0|0,1,0]=3 8951 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,2,0,0,0,0|0,0,2]=4 8952 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,2,0,0,0,0|0,0,1]=3 8953 B13R1.452 [13CH3]Sc1ccc(cc1)[C@@H](N)CCO 62a_102125605589_200025704644 [0,2,0,0,0,0|0,1,0]=3 8954 B13R1.452 [13CH3]Sc1ccc(cc1)[C@@H](N)CCO 62a_200025704644_102125605589 [0,2,0,0,0,0|0,1,0]=3 8955 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 1458a_200009908186_100000210202 [0,2,0,0,0,0|1,0,1]=4 8956 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 271570a_100000694244_100000211647 [0,2,0,0,0,0|1,0,1]=4 8957 B13R1.537 C=C(C)c1ccc(cc1)C(C)CC 271570a_100000694244_100011221364 [0,2,0,0,0,0|1,0,0]=3 8958 B13R1.537 C=C(C)c1ccc(cc1)C(C)NC 271570a_100000694244_100000231103 [0,2,0,0,0,0|2,0,0]=4 8959 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,2,0,0,0,0|2,0,0]=4 8960 B13R1.537 C=C(C)c1ccc(cc1)C(N)CO 271570a_100000694244_100000734186 [0,2,0,0,0,0|2,0,0]=4 8961 B13R1.537 C=C(C)c1ccc(cc1)C(O)CC 271570a_100000694244_100000246506 [0,2,0,0,0,0|1,0,0]=3 8962 B13R1.537 C=C(C)c1ccc(cc1)C(O)CN 271570a_100000694244_100020626992 [0,2,0,0,0,0|2,0,0]=4 8963 B13R1.537 C=C(C)c1ccc(cc1)C(O)CO 271570a_100000694244_200012355997 [0,2,0,0,0,0|2,0,0]=4 8964 B13R1.537 C=C(C)c1ccc(cc1)[C@@H](N)CC 271570a_100000694244_100025736560 [0,2,0,0,0,0|1,0,0]=3 8965 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 2230a_100000181356_200025704644 [0,2,0,0,0,0|2,0,0]=4 8966 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 34a_100000181356_200025704644 [0,2,0,0,0,0|2,0,0]=4 8967 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200000700246_200025704644 [0,2,0,0,0,0|2,0,0]=4 8968 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200025704644_200000700246 [0,2,0,0,0,0|2,0,0]=4 8969 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,2,0,0,0,0|1,0,1]=4 8970 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,2,0,0,0,0|1,0,1]=4 8971 B13R1.537 CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210202 [0,2,0,0,0,0|1,0,1]=4 8972 B13R1.537 CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210202 [0,2,0,0,0,0|0,1,1]=4 8973 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000210202 [0,2,0,0,0,0|2,0,0]=4 8974 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100000204670 [0,2,0,0,0,0|2,0,0]=4 8975 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100000210202 [0,2,0,0,0,0|2,0,0]=4 8976 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 38a_100000688768_100000204670 [0,2,0,0,0,0|2,0,0]=4 8977 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_100000181356_200000210301 [0,2,0,0,0,0|2,0,0]=4 8978 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_106832991635_200000700246 [0,2,0,0,0,0|2,0,0]=4 8979 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 269862a_106832991636_100000184595 [0,2,0,0,0,0|2,0,0]=4 8980 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 34a_100000181356_200000210301 [0,2,0,0,0,0|2,0,0]=4 8981 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 7a_106832991635_200000700246 [0,2,0,0,0,0|2,0,0]=4 8982 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000210301_200000700246 [0,2,0,0,0,0|2,0,0]=4 8983 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000700246_200000210301 [0,2,0,0,0,0|2,0,0]=4 8984 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [0,2,0,0,0,0|1,0,1]=4 8985 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [0,2,0,0,0,0|0,0,1]=3 8986 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [0,2,0,0,0,0|0,0,1]=3 8987 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [0,2,0,0,0,0|0,1,1]=4 8988 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [0,2,0,0,0,0|0,1,1]=4 8989 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [0,2,0,0,0,0|0,1,1]=4 8990 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [0,2,0,0,0,0|0,1,1]=4 8991 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [0,2,0,0,0,0|0,0,1]=3 8992 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [0,2,0,0,0,0|0,0,1]=3 8993 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [0,2,0,0,0,0|0,0,1]=3 8994 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [0,2,0,0,0,0|0,0,1]=3 8995 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [0,2,0,0,0,0|0,0,1]=3 8996 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [0,2,0,0,0,0|0,0,1]=3 8997 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [0,2,0,0,0,0|0,0,1]=3 8998 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,2,0,0,0,0|1,0,1]=4 8999 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,2,0,0,0,0|0,0,1]=3 9000 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 269982a_114948341033_100000204670 [0,2,0,0,0,0|1,0,0]=3 9001 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 34a_114948341033_100000210202 [0,2,0,0,0,0|1,0,0]=3 9002 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 38a_114948341033_100000204670 [0,2,0,0,0,0|1,0,0]=3 9003 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [0,2,0,0,0,0|1,0,1]=4 9004 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [0,2,0,0,0,0|1,0,1]=4 9005 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [0,2,0,0,0,0|1,0,1]=4 9006 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [0,2,0,0,0,0|1,0,1]=4 9007 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [0,2,0,0,0,0|1,0,1]=4 9008 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [0,2,0,0,0,0|1,0,1]=4 9009 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [0,2,0,0,0,0|1,0,1]=4 9010 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [0,2,0,0,0,0|1,0,1]=4 9011 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [0,2,0,0,0,0|1,0,1]=4 9012 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [0,2,0,0,0,0|1,0,1]=4 9013 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [0,2,0,0,0,0|1,0,1]=4 9014 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [0,2,0,0,0,0|1,0,1]=4 9015 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [0,2,0,0,0,0|1,0,1]=4 9016 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [0,2,0,0,0,0|1,0,1]=4 9017 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [0,2,0,0,0,0|1,0,1]=4 9018 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [0,2,0,0,0,0|1,0,1]=4 9019 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [0,2,0,0,0,0|1,0,1]=4 9020 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [0,2,0,0,0,0|1,0,1]=4 9021 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [0,2,0,0,0,0|1,0,1]=4 9022 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [0,2,0,0,0,0|1,0,1]=4 9023 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,2,0,0,0,0|1,0,1]=4 9024 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,2,0,0,0,0|1,0,1]=4 9025 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [0,2,0,0,0,0|1,0,0]=3 9026 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [0,2,0,0,0,0|1,0,0]=3 9027 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [0,2,0,0,0,0|1,0,0]=3 9028 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [0,2,0,0,0,0|1,0,0]=3 9029 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [0,2,0,0,0,0|1,0,0]=3 9030 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [0,2,0,0,0,0|1,0,0]=3 9031 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [0,2,0,0,0,0|1,0,0]=3 9032 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [0,2,0,0,0,0|1,0,0]=3 9033 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [0,2,0,0,0,0|1,0,0]=3 9034 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,2,0,0,0,0|1,0,0]=3 9035 B13R1.3088 CNC(C)c1cnc(c(c1)F)OC 269862a_106832991636_200009862442 [0,2,0,0,0,0|2,0,0]=4 9036 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,2,0,0,0,0|1,0,1]=4 9037 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,2,0,0,0,0|1,0,1]=4 9038 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,2,0,0,0,0|1,0,1]=4 9039 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,2,0,0,0,0|1,0,1]=4 9040 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,2,0,0,0,0|1,0,1]=4 9041 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,2,0,0,0,0|1,0,1]=4 9042 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,2,0,0,0,0|1,0,1]=4 9043 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,2,0,0,0,0|1,0,1]=4 9044 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,2,0,0,0,0|1,0,1]=4 9045 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,2,0,0,0,0|1,0,1]=4 9046 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,2,0,0,0,0|1,0,1]=4 9047 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,2,0,0,0,0|1,0,1]=4 9048 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,2,0,0,0,0|1,0,1]=4 9049 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,2,0,0,0,0|1,0,1]=4 9050 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,2,0,0,0,0|1,0,1]=4 9051 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,2,0,0,0,0|1,0,1]=4 9052 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,2,0,0,0,0|1,0,1]=4 9053 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,2,0,0,0,0|1,0,1]=4 9054 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,2,0,0,0,0|1,0,1]=4 9055 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,2,0,0,0,0|1,0,1]=4 9056 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,2,0,0,0,0|1,0,1]=4 9057 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,2,0,0,0,0|1,0,1]=4 9058 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,2,0,0,0,0|1,0,1]=4 9059 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,2,0,0,0,0|1,0,1]=4 9060 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|1,0,1]=4 9061 B13R1.3088 COc1ccc(cc1Br)C(=O)CF 1458a_100000187947_100015361967 [0,2,0,0,0,0|1,0,1]=4 9062 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,2,0,0,0,0|1,0,0]=3 9063 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,2,0,0,0,0|1,0,0]=3 9064 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,2,0,0,0,0|1,0,0]=3 9065 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,2,0,0,0,0|1,0,0]=3 9066 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [0,2,0,0,0,0|1,0,1]=4 9067 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [0,2,0,0,0,0|1,0,0]=3 9068 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [0,2,0,0,0,0|1,0,0]=3 9069 B13R1.3088 COc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200000210301 [0,2,0,0,0,0|1,0,1]=4 9070 B13R1.3088 COc1ccc(cc1Cl)C(=O)CF 1458a_100000188346_100015361967 [0,2,0,0,0,0|1,0,1]=4 9071 B13R1.3088 COc1ccc(cc1F)C(=O)CF 1458a_100000186160_100015361967 [0,2,0,0,0,0|1,0,1]=4 9072 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [0,2,0,0,0,0|1,0,0]=3 9073 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [0,2,0,0,0,0|1,0,0]=3 9074 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,2,0,0,0,0|1,0,0]=3 9075 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,2,0,0,0,0|1,0,0]=3 9076 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,2,0,0,0,0|1,0,0]=3 9077 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,2,0,0,0,0|1,0,0]=3 9078 B13R1.3088 COc1ccc(cc1I)C(=O)CF 1458a_100000188716_100015361967 [0,2,0,0,0,0|1,0,1]=4 9079 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,2,0,0,0,0|1,0,0]=3 9080 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,2,0,0,0,0|1,0,0]=3 9081 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,2,0,0,0,0|1,0,0]=3 9082 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,2,0,0,0,0|1,0,0]=3 9083 B13R1.3088 COc1ccc(cc1I)N(C)CF 269982a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 9084 B13R1.3088 COc1ccc(cc1I)N(C)CF 34a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 9085 B13R1.3088 COc1ccc(cc1I)N(C)CF 38a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,2,0,0,0,0|1,0,1]=4 9087 B13R1.3088 [13CH3]Oc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200025704644 [0,2,0,0,0,0|1,0,1]=4 9088 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 207a_100138425928_100011361452 [0,2,0,0,0,0|1,0,1]=4 9089 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 2230a_100015199678_100000210206 [0,2,0,0,0,0|1,0,1]=4 9090 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000140223 [0,2,0,0,0,0|1,0,1]=4 9091 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 34a_100015199678_100000210206 [0,2,0,0,0,0|1,0,1]=4 9092 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000140223 [0,2,0,0,0,0|1,0,1]=4 9093 B13R1.3 C#Cc1ccc(cc1)COC(C)C 34a_100000054647_100000210206 [0,2,0,0,0,0|1,0,1]=4 9094 B13R1.3 C#Cc1ccc(cc1)COC(C)C 34a_100000212225_100000140223 [0,2,0,0,0,0|1,0,1]=4 9095 B13R1.3 C#Cc1ccc(cc1)COC(C)C 7a_100000054647_100000210206 [0,2,0,0,0,0|1,0,1]=4 9096 B13R1.3 C#Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000140223 [0,2,0,0,0,0|1,0,1]=4 9097 B13R1.3 C#Cc1ccc(cc1)NCC(C)C 34a_100011215031_100000210624 [0,2,0,0,0,0|1,0,1]=4 9098 B13R1.3 C#Cc1ccc(cc1)NCC(C)O 34a_100011215031_100011218427 [0,2,0,0,0,0|1,0,1]=4 9099 B13R1.3 C#Cc1ccc(cc1)NC[C@@H](C)O 34a_100011215031_100009817552 [0,2,0,0,0,0|1,0,1]=4 9100 B13R1.3 C=C(C)CNc1ccc(cc1)CC 2230a_100000211069_100000748629 [0,2,0,0,0,0|1,0,1]=4 9101 B13R1.3 C=C(C)CNc1ccc(cc1)CC 34a_100000211069_100000748629 [0,2,0,0,0,0|1,0,1]=4 9102 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,2,0,0,0,0|0,0,1]=3 9103 B13R1.3 C=C(C)CNc1ccc(cc1)SC 34a_100000212337_100000748629 [0,2,0,0,0,0|0,1,1]=4 9104 B13R1.3 C=C(C)COc1ccc(cc1)CC 34a_100000211359_100000748629 [0,2,0,0,0,0|1,0,1]=4 9105 B13R1.3 C=C(C)COc1ccc(cc1)CC 7a_100000211359_100000748629 [0,2,0,0,0,0|1,0,1]=4 9106 B13R1.3 C=C(C)COc1ccc(cc1)NC 2230a_200015186533_200000210301 [0,2,0,0,0,0|1,0,1]=4 9107 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_100000182112_100000748629 [0,2,0,0,0,0|1,0,1]=4 9108 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_200015186533_200000210301 [0,2,0,0,0,0|1,0,1]=4 9109 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 2230a_200015186533_200025704644 [0,2,0,0,0,0|1,0,1]=4 9110 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 34a_200015186533_200025704644 [0,2,0,0,0,0|1,0,1]=4 9111 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,2,0,0,0,0|0,0,1]=3 9112 B13R1.3 C=C(C)COc1ccc(cc1)SC 34a_100000211864_100000748629 [0,2,0,0,0,0|0,1,1]=4 9113 B13R1.3 C=C(C)COc1ccc(cn1)OC 34a_100012002028_100000748629 [0,2,0,0,0,0|1,0,1]=4 9114 B13R1.3 C=C(C)COc1ccc(nc1)OC 34a_100011934560_100000748629 [0,2,0,0,0,0|1,0,1]=4 9115 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100000748629_100011215824 [0,2,0,0,0,0|1,0,1]=4 9116 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100011215824_100000211660 [0,2,0,0,0,0|1,0,1]=4 9117 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000743151_100000211660 [0,2,0,0,0,0|1,0,1]=4 9118 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000748629_100000743151 [0,2,0,0,0,0|1,0,1]=4 9119 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,2,0,0,0,0|0,0,1]=3 9120 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100000748629_100011263217 [0,2,0,0,0,0|0,1,1]=4 9121 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100011263217_100000211660 [0,2,0,0,0,0|0,1,1]=4 9122 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000748629_100000744180 [0,2,0,0,0,0|1,0,1]=4 9123 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000755202_100000211660 [0,2,0,0,0,0|1,0,1]=4 9124 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000047065_100000211660 [0,2,0,0,0,0|1,0,1]=4 9125 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000748629_100000047065 [0,2,0,0,0,0|1,0,1]=4 9126 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,2,0,0,0,0|0,0,2]=4 9127 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,2,0,0,0,0|0,0,2]=4 9128 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,2,0,0,0,0|0,0,2]=4 9129 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [0,2,0,0,0,0|1,0,1]=4 9130 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [0,2,0,0,0,0|1,0,1]=4 9131 B13R1.3 C=Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100000142037 [0,2,0,0,0,0|1,0,1]=4 9132 B13R1.3 C=Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100000142037 [0,2,0,0,0,0|1,0,1]=4 9133 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000034074 [0,2,0,0,0,0|1,0,1]=4 9134 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 271570a_100011290941_100000195760 [0,2,0,0,0,0|1,0,1]=4 9135 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000034074 [0,2,0,0,0,0|1,0,1]=4 9136 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 34a_200011934891_100000210206 [0,2,0,0,0,0|1,0,1]=4 9137 B13R1.3 C=Cc1ccc(cc1)COC(C)C 271570a_100011290941_100000758563 [0,2,0,0,0,0|1,0,1]=4 9138 B13R1.3 C=Cc1ccc(cc1)COC(C)C 34a_100000073583_100000210206 [0,2,0,0,0,0|1,0,1]=4 9139 B13R1.3 C=Cc1ccc(cc1)COC(C)C 34a_100000212225_100000034074 [0,2,0,0,0,0|1,0,1]=4 9140 B13R1.3 C=Cc1ccc(cc1)COC(C)C 7a_100000073583_100000210206 [0,2,0,0,0,0|1,0,1]=4 9141 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 271570a_100011290941_100000173087 [0,2,0,0,0,0|1,0,1]=4 9142 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 62a_100000034074_100000210206 [0,2,0,0,0,0|1,0,1]=4 9143 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000034074 [0,2,0,0,0,0|1,0,1]=4 9144 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 271570a_100011290941_200011231703 [0,2,0,0,0,0|1,0,1]=4 9145 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 34a_100011218248_100000210624 [0,2,0,0,0,0|1,0,1]=4 9146 B13R1.3 C=Cc1ccc(cc1)NCC(C)O 34a_100011218248_100011218427 [0,2,0,0,0,0|1,0,1]=4 9147 B13R1.3 C=Cc1ccc(cc1)NC[C@@H](C)O 34a_100011218248_100009817552 [0,2,0,0,0,0|1,0,1]=4 9148 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 271570a_100011290941_200000169949 [0,2,0,0,0,0|1,0,1]=4 9149 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34a_100000189437_100000210624 [0,2,0,0,0,0|1,0,1]=4 9150 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 7a_100000189437_100000210760 [0,2,0,0,0,0|1,0,1]=4 9151 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 34a_100000189437_100011218427 [0,2,0,0,0,0|1,0,1]=4 9152 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 7a_100000189437_100011218427 [0,2,0,0,0,0|1,0,1]=4 9153 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 34a_100000189437_100009817552 [0,2,0,0,0,0|1,0,1]=4 9154 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 7a_100000189437_100009817552 [0,2,0,0,0,0|1,0,1]=4 9155 B13R1.3 C=Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000748128 [0,2,0,0,0,0|1,0,1]=4 9156 B13R1.3 C=Cc1ccc(cc1)SCC(C)C 62a_100000748128_100000210760 [0,2,0,0,0,0|1,0,1]=4 9157 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100000748128_100011218427 [0,2,0,0,0,0|1,0,1]=4 9158 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000748128 [0,2,0,0,0,0|1,0,1]=4 9159 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100000748128_100009817552 [0,2,0,0,0,0|1,0,1]=4 9160 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000748128 [0,2,0,0,0,0|1,0,1]=4 9161 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,2,0,0,0,0|0,0,2]=4 9162 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [0,2,0,0,0,0|2,0,0]=4 9163 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [0,2,0,0,0,0|2,0,0]=4 9164 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,2,0,0,0,0|0,0,0]=2 9165 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,2,0,0,0,0|0,0,0]=2 9166 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,2,0,0,0,0|0,1,0]=3 9167 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,2,0,0,0,0|0,1,0]=3 9168 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,2,0,0,0,0|1,0,1]=4 9169 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,2,0,0,0,0|0,1,1]=4 9170 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,2,0,0,0,0|0,1,1]=4 9171 B13R1.3 CC(C)CNc1ccc(cc1)C#N 34a_100000185469_100000210624 [0,2,0,0,0,0|2,0,0]=4 9172 B13R1.3 CC(C)CNc1ccc(cc1)CO 2230a_100011215238_100000210760 [0,2,0,0,0,0|2,0,0]=4 9173 B13R1.3 CC(C)CNc1ccc(cc1)CO 34a_100011215238_100000210624 [0,2,0,0,0,0|2,0,0]=4 9174 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200011231703_200025704644 [0,2,0,0,0,0|0,1,0]=3 9175 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200025704644_200011231703 [0,2,0,0,0,0|0,1,0]=3 9176 B13R1.3 CC(C)COc1ccc(cc1)C#N 34a_100000210344_100000210624 [0,2,0,0,0,0|2,0,0]=4 9177 B13R1.3 CC(C)COc1ccc(cc1)C#N 7a_100000210344_100000210760 [0,2,0,0,0,0|2,0,0]=4 9178 B13R1.3 CC(C)COc1ccc(cc1)CN 34a_100000185549_100000210624 [0,2,0,0,0,0|2,0,0]=4 9179 B13R1.3 CC(C)COc1ccc(cc1)CO 34a_100000211755_100000210624 [0,2,0,0,0,0|2,0,0]=4 9180 B13R1.3 CC(C)COc1ccc(cc1)N[13CH3] 34a_200000243789_200025704644 [0,2,0,0,0,0|1,0,0]=3 9181 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200000169949_200025704644 [0,2,0,0,0,0|0,1,0]=3 9182 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000169949 [0,2,0,0,0,0|0,1,0]=3 9183 B13R1.3 CC(C)CSc1ccc(cc1)C#N 62a_100000210624_100000184291 [0,2,0,0,0,0|2,0,0]=4 9184 B13R1.3 CC(C)CSc1ccc(cc1)C=O 62a_100000188517_100000210760 [0,2,0,0,0,0|2,0,0]=4 9185 B13R1.3 CC(C)CSc1ccc(cc1)C=O 62a_100000210624_100000188517 [0,2,0,0,0,0|2,0,0]=4 9186 B13R1.3 CC(C)CSc1ccc(cc1)CF 62a_100000210624_100010268989 [0,2,0,0,0,0|2,0,0]=4 9187 B13R1.3 CC(C)CSc1ccc(cc1)CF 62a_100010268989_100000210760 [0,2,0,0,0,0|2,0,0]=4 9188 B13R1.3 CC(C)CSc1ccc(cc1)CN 62a_100000210624_100016989417 [0,2,0,0,0,0|2,0,0]=4 9189 B13R1.3 CC(C)CSc1ccc(cc1)CN 62a_100016989417_100000210760 [0,2,0,0,0,0|2,0,0]=4 9190 B13R1.3 CC(C)CSc1ccc(cc1)CO 62a_100000210624_100000690907 [0,2,0,0,0,0|2,0,0]=4 9191 B13R1.3 CC(C)CSc1ccc(cc1)CO 62a_100000690907_100000210760 [0,2,0,0,0,0|2,0,0]=4 9192 B13R1.3 CC(C)CSc1ccc(cc1)NN 62a_100000210624_100016988836 [0,2,0,0,0,0|2,0,0]=4 9193 B13R1.3 CC(C)CSc1ccc(cc1)NN 62a_100016988836_100000210760 [0,2,0,0,0,0|2,0,0]=4 9194 B13R1.3 CC(C)NCc1ccc(cc1)C#N 207a_100138425928_100000211122 [0,2,0,0,0,0|2,0,0]=4 9195 B13R1.3 CC(C)NCc1ccc(cc1)C#N 2230a_100138425928_100000184898 [0,2,0,0,0,0|2,0,0]=4 9196 B13R1.3 CC(C)NCc1ccc(cc1)C#N 34a_100015207190_100000210206 [0,2,0,0,0,0|2,0,0]=4 9197 B13R1.3 CC(C)NCc1ccc(cc1)C#N 34a_100138425928_100000184898 [0,2,0,0,0,0|2,0,0]=4 9198 B13R1.3 CC(C)NCc1ccc(cc1)C=O 2230a_100138425928_100009816848 [0,2,0,0,0,0|2,0,0]=4 9199 B13R1.3 CC(C)NCc1ccc(cc1)C=O 34a_100138425928_100009816848 [0,2,0,0,0,0|2,0,0]=4 9200 B13R1.3 CC(C)NCc1ccc(cc1)CO 207a_100138425928_100009832023 [0,2,0,0,0,0|2,0,0]=4 9201 B13R1.3 CC(C)NCc1ccc(cc1)CO 2230a_100015189231_100000210206 [0,2,0,0,0,0|2,0,0]=4 9202 B13R1.3 CC(C)NCc1ccc(cc1)CO 2230a_100138425928_100000067286 [0,2,0,0,0,0|2,0,0]=4 9203 B13R1.3 CC(C)NCc1ccc(cc1)CO 34a_100015189231_100000210206 [0,2,0,0,0,0|2,0,0]=4 9204 B13R1.3 CC(C)NCc1ccc(cc1)CO 34a_100138425928_100000067286 [0,2,0,0,0,0|2,0,0]=4 9205 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_100000195760_200025704644 [0,2,0,0,0,0|0,1,0]=3 9206 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_200025704644_100000195760 [0,2,0,0,0,0|0,1,0]=3 9207 B13R1.3 CC(C)NCc1ccc(nc1)S[13CH3] 62a_100016992178_200025704644 [0,2,0,0,0,0|1,1,0]=4 9208 B13R1.3 CC(C)NCc1ccc(nc1)S[13CH3] 62a_200025704644_100016992178 [0,2,0,0,0,0|1,1,0]=4 9209 B13R1.3 CC(C)OCc1ccc(cc1)C#N 34a_100000212225_100000184898 [0,2,0,0,0,0|2,0,0]=4 9210 B13R1.3 CC(C)OCc1ccc(cc1)C#N 34a_100000238739_100000210206 [0,2,0,0,0,0|2,0,0]=4 9211 B13R1.3 CC(C)OCc1ccc(cc1)C#N 7a_100000238739_100000210206 [0,2,0,0,0,0|2,0,0]=4 9212 B13R1.3 CC(C)OCc1ccc(cc1)C=O 34a_100000212225_100009816848 [0,2,0,0,0,0|2,0,0]=4 9213 B13R1.3 CC(C)OCc1ccc(cc1)CBr 34a_100012353999_100000210206 [0,2,0,0,0,0|2,0,0]=4 9214 B13R1.3 CC(C)OCc1ccc(cc1)CBr 7a_100012353999_100000210206 [0,2,0,0,0,0|2,0,0]=4 9215 B13R1.3 CC(C)OCc1ccc(cc1)CCl 34a_100000067286_100000210206 [0,2,0,0,0,0|2,0,0]=4 9216 B13R1.3 CC(C)OCc1ccc(cc1)CCl 7a_100000067286_100000210206 [0,2,0,0,0,0|2,0,0]=4 9217 B13R1.3 CC(C)OCc1ccc(cc1)CN 34a_100015189231_100000210206 [0,2,0,0,0,0|2,0,0]=4 9218 B13R1.3 CC(C)OCc1ccc(cc1)CO 34a_100000212225_100000067286 [0,2,0,0,0,0|2,0,0]=4 9219 B13R1.3 CC(C)OCc1ccc(cc1)S[13CH3] 62a_100000758563_200025704644 [0,2,0,0,0,0|0,1,0]=3 9220 B13R1.3 CC(C)OCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758563 [0,2,0,0,0,0|0,1,0]=3 9221 B13R1.3 CC(C)SCc1ccc(cc1)C#N 62a_100000210206_100000184898 [0,2,0,0,0,0|2,0,0]=4 9222 B13R1.3 CC(C)SCc1ccc(cc1)C=O 62a_100000210206_100009816848 [0,2,0,0,0,0|2,0,0]=4 9223 B13R1.3 CC(C)SCc1ccc(cc1)C=O 62a_100009816848_100000210206 [0,2,0,0,0,0|2,0,0]=4 9224 B13R1.3 CC(C)SCc1ccc(cc1)CO 62a_100000067286_100000210206 [0,2,0,0,0,0|2,0,0]=4 9225 B13R1.3 CC(C)SCc1ccc(cc1)CO 62a_100000210206_100000067286 [0,2,0,0,0,0|2,0,0]=4 9226 B13R1.3 CC(C)SCc1ccc(cc1)S[13CH3] 62a_100000173087_200025704644 [0,2,0,0,0,0|0,1,0]=3 9227 B13R1.3 CC(C)SCc1ccc(cc1)S[13CH3] 62a_200025704644_100000173087 [0,2,0,0,0,0|0,1,0]=3 9228 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,2,0,0,0,0|0,0,0]=2 9229 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,2,0,0,0,0|0,0,0]=2 9230 B13R1.3 CC(O)CNc1ccc(cc1)C#N 34a_100000185469_100011218427 [0,2,0,0,0,0|2,0,0]=4 9231 B13R1.3 CC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218427 [0,2,0,0,0,0|2,0,0]=4 9232 B13R1.3 CC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218427 [0,2,0,0,0,0|2,0,0]=4 9233 B13R1.3 CC(O)COc1ccc(cc1)C#N 34a_100000210344_100011218427 [0,2,0,0,0,0|2,0,0]=4 9234 B13R1.3 CC(O)COc1ccc(cc1)C#N 7a_100000210344_100011218427 [0,2,0,0,0,0|2,0,0]=4 9235 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [0,2,0,0,0,0|2,0,0]=4 9236 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [0,2,0,0,0,0|2,0,0]=4 9237 B13R1.3 CC(O)CSc1ccc(cc1)C#N 62a_100011218427_100000184291 [0,2,0,0,0,0|2,0,0]=4 9238 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100000188517_100011218427 [0,2,0,0,0,0|2,0,0]=4 9239 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100011218427_100000188517 [0,2,0,0,0,0|2,0,0]=4 9240 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100010268989_100011218427 [0,2,0,0,0,0|2,0,0]=4 9241 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100011218427_100010268989 [0,2,0,0,0,0|2,0,0]=4 9242 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100011218427_100016989417 [0,2,0,0,0,0|2,0,0]=4 9243 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218427 [0,2,0,0,0,0|2,0,0]=4 9244 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218427 [0,2,0,0,0,0|2,0,0]=4 9245 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100011218427_100000690907 [0,2,0,0,0,0|2,0,0]=4 9246 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100011218427_100016988836 [0,2,0,0,0,0|2,0,0]=4 9247 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100016988836_100011218427 [0,2,0,0,0,0|2,0,0]=4 9248 B13R1.3 CCc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011215824 [0,2,0,0,0,0|1,0,1]=4 9249 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [0,2,0,0,0,0|1,0,1]=4 9250 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,2,0,0,0,0|1,0,0]=3 9251 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,2,0,0,0,0|1,0,0]=3 9252 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,2,0,0,0,0|1,0,1]=4 9253 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,2,0,0,0,0|1,0,1]=4 9254 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,2,0,0,0,0|1,0,1]=4 9255 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,2,0,0,0,0|1,0,1]=4 9256 B13R1.3 CCc1ccc(cc1)CNC(C)C 207a_100138425928_100000211036 [0,2,0,0,0,0|1,0,0]=3 9257 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100000721222_100000210206 [0,2,0,0,0,0|1,0,0]=3 9258 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100138425928_100000747183 [0,2,0,0,0,0|1,0,0]=3 9259 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100000721222_100000210206 [0,2,0,0,0,0|1,0,0]=3 9260 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100138425928_100000747183 [0,2,0,0,0,0|1,0,0]=3 9261 B13R1.3 CCc1ccc(cc1)COC(C)C 34a_100000212225_100000747183 [0,2,0,0,0,0|1,0,0]=3 9262 B13R1.3 CCc1ccc(cc1)COC(C)C 34a_100000702245_100000210206 [0,2,0,0,0,0|1,0,0]=3 9263 B13R1.3 CCc1ccc(cc1)COC(C)C 7a_100000702245_100000210206 [0,2,0,0,0,0|1,0,0]=3 9264 B13R1.3 CCc1ccc(cc1)CSC(C)C 62a_100000210206_100000747183 [0,2,0,0,0,0|1,0,0]=3 9265 B13R1.3 CCc1ccc(cc1)CSC(C)C 62a_100000757233_100000210206 [0,2,0,0,0,0|1,0,0]=3 9266 B13R1.3 CCc1ccc(cc1)NCC(C)C 2230a_100000211069_100000210760 [0,2,0,0,0,0|1,0,0]=3 9267 B13R1.3 CCc1ccc(cc1)NCC(C)C 34a_100000211069_100000210624 [0,2,0,0,0,0|1,0,0]=3 9268 B13R1.3 CCc1ccc(cc1)NCC(C)O 2230a_100000211069_100011218427 [0,2,0,0,0,0|1,0,0]=3 9269 B13R1.3 CCc1ccc(cc1)NCC(C)O 34a_100000211069_100011218427 [0,2,0,0,0,0|1,0,0]=3 9270 B13R1.3 CCc1ccc(cc1)NCC(F)F 2230a_100000211069_100011934356 [0,2,0,0,0,0|2,0,0]=4 9271 B13R1.3 CCc1ccc(cc1)NCC(F)F 34a_100000211069_100011934356 [0,2,0,0,0,0|2,0,0]=4 9272 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 2230a_100000211069_100009817552 [0,2,0,0,0,0|1,0,0]=3 9273 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 34a_100000211069_100009817552 [0,2,0,0,0,0|1,0,0]=3 9274 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,2,0,0,0,0|1,0,1]=4 9275 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,2,0,0,0,0|1,0,1]=4 9276 B13R1.3 CCc1ccc(cc1)OCC(C)C 34a_100000211359_100000210624 [0,2,0,0,0,0|1,0,0]=3 9277 B13R1.3 CCc1ccc(cc1)OCC(C)C 7a_100000211359_100000210760 [0,2,0,0,0,0|1,0,0]=3 9278 B13R1.3 CCc1ccc(cc1)OCC(C)O 34a_100000211359_100011218427 [0,2,0,0,0,0|1,0,0]=3 9279 B13R1.3 CCc1ccc(cc1)OCC(C)O 7a_100000211359_100011218427 [0,2,0,0,0,0|1,0,0]=3 9280 B13R1.3 CCc1ccc(cc1)OCC(F)F 34a_100000211359_100011934356 [0,2,0,0,0,0|2,0,0]=4 9281 B13R1.3 CCc1ccc(cc1)OCC(F)F 7a_100000211359_100011934356 [0,2,0,0,0,0|2,0,0]=4 9282 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 34a_100000211359_100009817552 [0,2,0,0,0,0|1,0,0]=3 9283 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 7a_100000211359_100009817552 [0,2,0,0,0,0|1,0,0]=3 9284 B13R1.3 CCc1ccc(cc1)SCC(C)C 62a_100000210624_100011215824 [0,2,0,0,0,0|1,0,0]=3 9285 B13R1.3 CCc1ccc(cc1)SCC(C)C 62a_100011215824_100000210760 [0,2,0,0,0,0|1,0,0]=3 9286 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011215824_100011218427 [0,2,0,0,0,0|1,0,0]=3 9287 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011218427_100011215824 [0,2,0,0,0,0|1,0,0]=3 9288 B13R1.3 CCc1ccc(cc1)SCC(F)F 62a_100011215824_100011934356 [0,2,0,0,0,0|2,0,0]=4 9289 B13R1.3 CCc1ccc(cc1)SCC(F)F 62a_100011934356_100011215824 [0,2,0,0,0,0|2,0,0]=4 9290 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011215824 [0,2,0,0,0,0|1,0,0]=3 9291 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100011215824_100009817552 [0,2,0,0,0,0|1,0,0]=3 9292 B13R1.3 CCc1ccc(cn1)SCC(C)C 62a_100000210624_100009820025 [0,2,0,0,0,0|2,0,0]=4 9293 B13R1.3 CCc1ccc(cn1)SCC(C)C 62a_100009820025_100000210760 [0,2,0,0,0,0|2,0,0]=4 9294 B13R1.3 CCc1ccc(cn1)SCC(C)O 62a_100009820025_100011218427 [0,2,0,0,0,0|2,0,0]=4 9295 B13R1.3 CCc1ccc(cn1)SCC(C)O 62a_100011218427_100009820025 [0,2,0,0,0,0|2,0,0]=4 9296 B13R1.3 CCc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100009820025 [0,2,0,0,0,0|2,0,0]=4 9297 B13R1.3 CCc1ccc(cn1)SC[C@@H](C)O 62a_100009820025_100009817552 [0,2,0,0,0,0|2,0,0]=4 9298 B13R1.3 CCc1ccc(nc1)CNC(C)C 207a_100138425928_100000069529 [0,2,0,0,0,0|2,0,0]=4 9299 B13R1.3 CCc1ccc(nc1)CNC(C)C 2230a_100000069493_100000210206 [0,2,0,0,0,0|2,0,0]=4 9300 B13R1.3 CCc1ccc(nc1)CNC(C)C 34a_100000069493_100000210206 [0,2,0,0,0,0|2,0,0]=4 9301 B13R1.3 CCc1ccc(nc1)COC(C)C 34a_100000068455_100000210206 [0,2,0,0,0,0|2,0,0]=4 9302 B13R1.3 CCc1ccc(nc1)SCC(C)C 62a_100000210624_100009843584 [0,2,0,0,0,0|2,0,0]=4 9303 B13R1.3 CCc1ccc(nc1)SCC(C)C 62a_100009843584_100000210760 [0,2,0,0,0,0|2,0,0]=4 9304 B13R1.3 CCc1ccc(nc1)SCC(C)O 62a_100009843584_100011218427 [0,2,0,0,0,0|2,0,0]=4 9305 B13R1.3 CCc1ccc(nc1)SCC(C)O 62a_100011218427_100009843584 [0,2,0,0,0,0|2,0,0]=4 9306 B13R1.3 CCc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100009843584 [0,2,0,0,0,0|2,0,0]=4 9307 B13R1.3 CCc1ccc(nc1)SC[C@@H](C)O 62a_100009843584_100009817552 [0,2,0,0,0,0|2,0,0]=4 9308 B13R1.3 CN(C)CCc1ccc(cc1)C#N 2230a_100102631434_100012161189 [0,2,0,0,0,0|2,0,0]=4 9309 B13R1.3 CN(C)CCc1ccc(cc1)C#N 269982a_100102631434_100012161189 [0,2,0,0,0,0|2,0,0]=4 9310 B13R1.3 CNc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000219623 [0,2,0,0,0,0|1,0,1]=4 9311 B13R1.3 CNc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000219623 [0,2,0,0,0,0|1,0,1]=4 9312 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,2,0,0,0,0|1,0,1]=4 9313 B13R1.3 CNc1ccc(cc1)OCC(C)C 27a_100102657272_200000169949 [0,2,0,0,0,0|1,0,0]=3 9314 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_100000182112_100000210624 [0,2,0,0,0,0|1,0,0]=3 9315 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_200000243789_200000210301 [0,2,0,0,0,0|1,0,0]=3 9316 B13R1.3 CNc1ccc(cc1)OCC(C)O 34a_100000182112_100011218427 [0,2,0,0,0,0|1,0,0]=3 9317 B13R1.3 CNc1ccc(cc1)OCC(F)F 2230a_100000766895_200000210301 [0,2,0,0,0,0|2,0,0]=4 9318 B13R1.3 CNc1ccc(cc1)OCC(F)F 34a_100000182112_100011934356 [0,2,0,0,0,0|2,0,0]=4 9319 B13R1.3 CNc1ccc(cc1)OCC(F)F 34a_100000766895_200000210301 [0,2,0,0,0,0|2,0,0]=4 9320 B13R1.3 CNc1ccc(cc1)OC[C@@H](C)O 34a_100000182112_100009817552 [0,2,0,0,0,0|1,0,0]=3 9321 B13R1.3 CNc1ccc(cc1)SCC(C)C 62a_100000210624_100000743151 [0,2,0,0,0,0|1,0,0]=3 9322 B13R1.3 CNc1ccc(cc1)SCC(C)C 62a_100000743151_100000210760 [0,2,0,0,0,0|1,0,0]=3 9323 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100000743151_100011218427 [0,2,0,0,0,0|1,0,0]=3 9324 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100011218427_100000743151 [0,2,0,0,0,0|1,0,0]=3 9325 B13R1.3 CNc1ccc(cc1)SCC(F)F 62a_100000743151_100011934356 [0,2,0,0,0,0|2,0,0]=4 9326 B13R1.3 CNc1ccc(cc1)SCC(F)F 62a_100011934356_100000743151 [0,2,0,0,0,0|2,0,0]=4 9327 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100000743151_100009817552 [0,2,0,0,0,0|1,0,0]=3 9328 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000743151 [0,2,0,0,0,0|1,0,0]=3 9329 B13R1.3 CNc1ccc(cn1)SCC(C)C 62a_100000210624_100000741341 [0,2,0,0,0,0|2,0,0]=4 9330 B13R1.3 CNc1ccc(cn1)SCC(C)C 62a_100000741341_100000210760 [0,2,0,0,0,0|2,0,0]=4 9331 B13R1.3 CNc1ccc(cn1)SCC(C)O 62a_100000741341_100011218427 [0,2,0,0,0,0|2,0,0]=4 9332 B13R1.3 CNc1ccc(cn1)SCC(C)O 62a_100011218427_100000741341 [0,2,0,0,0,0|2,0,0]=4 9333 B13R1.3 CNc1ccc(cn1)SC[C@@H](C)O 62a_100000741341_100009817552 [0,2,0,0,0,0|2,0,0]=4 9334 B13R1.3 CNc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000741341 [0,2,0,0,0,0|2,0,0]=4 9335 B13R1.3 CNc1ccc(nc1)SCC(C)C 62a_100000210624_100000764248 [0,2,0,0,0,0|2,0,0]=4 9336 B13R1.3 CNc1ccc(nc1)SCC(C)C 62a_100000764248_100000210760 [0,2,0,0,0,0|2,0,0]=4 9337 B13R1.3 CNc1ccc(nc1)SCC(C)O 62a_100000764248_100011218427 [0,2,0,0,0,0|2,0,0]=4 9338 B13R1.3 CNc1ccc(nc1)SCC(C)O 62a_100011218427_100000764248 [0,2,0,0,0,0|2,0,0]=4 9339 B13R1.3 CNc1ccc(nc1)SC[C@@H](C)O 62a_100000764248_100009817552 [0,2,0,0,0,0|2,0,0]=4 9340 B13R1.3 CNc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000764248 [0,2,0,0,0,0|2,0,0]=4 9341 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,2,0,0,0,0|0,0,2]=4 9342 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,2,0,0,0,0|0,0,2]=4 9343 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,2,0,0,0,0|0,0,2]=4 9344 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,2,0,0,0,0|0,0,2]=4 9345 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,2,0,0,0,0|0,0,2]=4 9346 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,2,0,0,0,0|0,0,1]=3 9347 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,2,0,0,0,0|0,0,1]=3 9348 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,2,0,0,0,0|0,0,0]=2 9349 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,2,0,0,0,0|0,0,0]=2 9350 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,2,0,0,0,0|0,0,0]=2 9351 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,2,0,0,0,0|0,0,0]=2 9352 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,2,0,0,0,0|0,0,0]=2 9353 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,2,0,0,0,0|0,0,0]=2 9354 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,2,0,0,0,0|0,0,0]=2 9355 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100000225672_200000210301 [0,2,0,0,0,0|0,0,0]=2 9356 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713689 [0,2,0,0,0,0|0,0,0]=2 9357 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100000225672_200000210301 [0,2,0,0,0,0|0,0,0]=2 9358 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100102631434_100000184700 [0,2,0,0,0,0|0,0,0]=2 9359 B13R1.3 COc1ccc(cc1)CCN(C)C 270004a_100102631434_100011242372 [0,2,0,0,0,0|0,0,0]=2 9360 B13R1.3 COc1ccc(cc1)CCN(C)C 34a_100000225672_200000210301 [0,2,0,0,0,0|0,0,0]=2 9361 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 2230a_100000225672_200025704644 [0,2,0,0,0,0|0,0,0]=2 9362 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 269982a_100000225672_200025704644 [0,2,0,0,0,0|0,0,0]=2 9363 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 34a_100000225672_200025704644 [0,2,0,0,0,0|0,0,0]=2 9364 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,2,0,0,0,0|0,0,1]=3 9365 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,2,0,0,0,0|0,0,1]=3 9366 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,2,0,0,0,0|0,0,1]=3 9367 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,2,0,0,0,0|0,0,1]=3 9368 B13R1.3 COc1ccc(cc1)CNC(C)C 207a_100138425928_100000169835 [0,2,0,0,0,0|0,0,0]=2 9369 B13R1.3 COc1ccc(cc1)CNC(C)C 2230a_100138425928_100000742318 [0,2,0,0,0,0|0,0,0]=2 9370 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100000185587_100000210206 [0,2,0,0,0,0|0,0,0]=2 9371 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100138425928_100000742318 [0,2,0,0,0,0|0,0,0]=2 9372 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000173359_100000210206 [0,2,0,0,0,0|0,0,0]=2 9373 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000212225_100000742318 [0,2,0,0,0,0|0,0,0]=2 9374 B13R1.3 COc1ccc(cc1)CSC(C)C 62a_100000210206_100000742318 [0,2,0,0,0,0|0,0,0]=2 9375 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,2,0,0,0,0|1,0,1]=4 9376 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,2,0,0,0,0|1,0,1]=4 9377 B13R1.3 COc1ccc(cc1)NCC(C)C 34a_100000184247_100000210624 [0,2,0,0,0,0|0,0,0]=2 9378 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,2,0,0,0,0|0,0,0]=2 9379 B13R1.3 COc1ccc(cc1)NCC(F)F 34a_100000184247_100011934356 [0,2,0,0,0,0|1,0,0]=3 9380 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,2,0,0,0,0|0,0,0]=2 9381 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,2,0,0,0,0|2,0,0]=4 9382 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,2,0,0,0,0|1,0,1]=4 9383 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,2,0,0,0,0|0,0,1]=3 9384 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,2,0,0,0,0|1,0,1]=4 9385 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,2,0,0,0,0|0,0,1]=3 9386 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,2,0,0,0,0|1,0,1]=4 9387 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,2,0,0,0,0|0,0,0]=2 9388 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,2,0,0,0,0|0,0,0]=2 9389 B13R1.3 COc1ccc(cc1)OCC(F)F 34a_100000210503_100011934356 [0,2,0,0,0,0|1,0,0]=3 9390 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,2,0,0,0,0|0,0,0]=2 9391 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,2,0,0,0,0|2,0,0]=4 9392 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,2,0,0,0,0|0,0,1]=3 9393 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,2,0,0,0,0|1,0,1]=4 9394 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,2,0,0,0,0|0,0,1]=3 9395 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,2,0,0,0,0|1,0,1]=4 9396 B13R1.3 COc1ccc(cc1)SCC(C)C 62a_100000210624_100000171711 [0,2,0,0,0,0|0,0,0]=2 9397 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,2,0,0,0,0|0,0,0]=2 9398 B13R1.3 COc1ccc(cc1)SCC(F)F 62a_100011934356_100000171711 [0,2,0,0,0,0|1,0,0]=3 9399 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,2,0,0,0,0|0,0,0]=2 9400 B13R1.3 COc1ccc(cn1)C=CC(C)C 271570a_100016257149_100000047065 [0,2,0,0,0,0|1,0,1]=4 9401 B13R1.3 COc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000047065 [0,2,0,0,0,0|1,0,1]=4 9402 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,2,0,0,0,0|1,0,1]=4 9403 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,2,0,0,0,0|1,0,1]=4 9404 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,2,0,0,0,0|1,0,1]=4 9405 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,2,0,0,0,0|1,0,1]=4 9406 B13R1.3 COc1ccc(cn1)CNC(C)C 207a_100138425928_100000761633 [0,2,0,0,0,0|1,0,0]=3 9407 B13R1.3 COc1ccc(cn1)CNC(C)C 2230a_100000241975_100000210206 [0,2,0,0,0,0|1,0,0]=3 9408 B13R1.3 COc1ccc(cn1)CNC(C)C 2230a_100138425928_100020631284 [0,2,0,0,0,0|1,0,0]=3 9409 B13R1.3 COc1ccc(cn1)CNC(C)C 34a_100138425928_100020631284 [0,2,0,0,0,0|1,0,0]=3 9410 B13R1.3 COc1ccc(cn1)COC(C)C 34a_100000212225_100020631284 [0,2,0,0,0,0|1,0,0]=3 9411 B13R1.3 COc1ccc(cn1)COC(C)C 34a_100000763316_100000210206 [0,2,0,0,0,0|1,0,0]=3 9412 B13R1.3 COc1ccc(cn1)CSC(C)C 62a_100000210206_100020631284 [0,2,0,0,0,0|1,0,0]=3 9413 B13R1.3 COc1ccc(cn1)CSC(C)C 62a_100020631284_100000210206 [0,2,0,0,0,0|1,0,0]=3 9414 B13R1.3 COc1ccc(cn1)OCC(C)C 34a_100011934560_100000210624 [0,2,0,0,0,0|1,0,0]=3 9415 B13R1.3 COc1ccc(cn1)OCC(C)O 34a_100011934560_100011218427 [0,2,0,0,0,0|1,0,0]=3 9416 B13R1.3 COc1ccc(cn1)OCC(F)F 34a_100011934560_100011934356 [0,2,0,0,0,0|2,0,0]=4 9417 B13R1.3 COc1ccc(cn1)OC[C@@H](C)O 34a_100011934560_100009817552 [0,2,0,0,0,0|1,0,0]=3 9418 B13R1.3 COc1ccc(cn1)SCC(C)C 62a_100000047065_100000210760 [0,2,0,0,0,0|1,0,0]=3 9419 B13R1.3 COc1ccc(cn1)SCC(C)C 62a_100000210624_100000047065 [0,2,0,0,0,0|1,0,0]=3 9420 B13R1.3 COc1ccc(cn1)SCC(C)O 62a_100000047065_100011218427 [0,2,0,0,0,0|1,0,0]=3 9421 B13R1.3 COc1ccc(cn1)SCC(C)O 62a_100011218427_100000047065 [0,2,0,0,0,0|1,0,0]=3 9422 B13R1.3 COc1ccc(cn1)SCC(F)F 62a_100000047065_100011934356 [0,2,0,0,0,0|2,0,0]=4 9423 B13R1.3 COc1ccc(cn1)SCC(F)F 62a_100011934356_100000047065 [0,2,0,0,0,0|2,0,0]=4 9424 B13R1.3 COc1ccc(cn1)SC[C@@H](C)O 62a_100000047065_100009817552 [0,2,0,0,0,0|1,0,0]=3 9425 B13R1.3 COc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000047065 [0,2,0,0,0,0|1,0,0]=3 9426 B13R1.3 COc1ccc(nc1)C=CC(C)C 271570a_100016257149_100000755202 [0,2,0,0,0,0|1,0,1]=4 9427 B13R1.3 COc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000755202 [0,2,0,0,0,0|1,0,1]=4 9428 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,2,0,0,0,0|1,0,1]=4 9429 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,2,0,0,0,0|1,0,1]=4 9430 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,2,0,0,0,0|1,0,1]=4 9431 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,2,0,0,0,0|1,0,1]=4 9432 B13R1.3 COc1ccc(nc1)CNC(C)C 207a_100138425928_100000701244 [0,2,0,0,0,0|1,0,0]=3 9433 B13R1.3 COc1ccc(nc1)CNC(C)C 2230a_100138425928_200000757186 [0,2,0,0,0,0|1,0,0]=3 9434 B13R1.3 COc1ccc(nc1)CNC(C)C 34a_100000703904_100000210206 [0,2,0,0,0,0|1,0,0]=3 9435 B13R1.3 COc1ccc(nc1)CNC(C)C 34a_100138425928_200000757186 [0,2,0,0,0,0|1,0,0]=3 9436 B13R1.3 COc1ccc(nc1)COC(C)C 34a_100000212225_200000757186 [0,2,0,0,0,0|1,0,0]=3 9437 B13R1.3 COc1ccc(nc1)COC(C)C 34a_100011998694_100000210206 [0,2,0,0,0,0|1,0,0]=3 9438 B13R1.3 COc1ccc(nc1)CSC(C)C 62a_100000210206_200000757186 [0,2,0,0,0,0|1,0,0]=3 9439 B13R1.3 COc1ccc(nc1)CSC(C)C 62a_200000757186_100000210206 [0,2,0,0,0,0|1,0,0]=3 9440 B13R1.3 COc1ccc(nc1)OCC(C)C 34a_100012002028_100000210624 [0,2,0,0,0,0|1,0,0]=3 9441 B13R1.3 COc1ccc(nc1)OCC(C)O 34a_100012002028_100011218427 [0,2,0,0,0,0|1,0,0]=3 9442 B13R1.3 COc1ccc(nc1)OCC(F)F 34a_100012002028_100011934356 [0,2,0,0,0,0|2,0,0]=4 9443 B13R1.3 COc1ccc(nc1)OC[C@@H](C)O 34a_100012002028_100009817552 [0,2,0,0,0,0|1,0,0]=3 9444 B13R1.3 COc1ccc(nc1)SCC(C)C 62a_100000210624_100000744180 [0,2,0,0,0,0|1,0,0]=3 9445 B13R1.3 COc1ccc(nc1)SCC(C)C 62a_100000755202_100000210760 [0,2,0,0,0,0|1,0,0]=3 9446 B13R1.3 COc1ccc(nc1)SCC(C)O 62a_100000755202_100011218427 [0,2,0,0,0,0|1,0,0]=3 9447 B13R1.3 COc1ccc(nc1)SCC(C)O 62a_100011218427_100000744180 [0,2,0,0,0,0|1,0,0]=3 9448 B13R1.3 COc1ccc(nc1)SCC(F)F 62a_100000755202_100011934356 [0,2,0,0,0,0|2,0,0]=4 9449 B13R1.3 COc1ccc(nc1)SCC(F)F 62a_100011934356_100000744180 [0,2,0,0,0,0|2,0,0]=4 9450 B13R1.3 COc1ccc(nc1)SC[C@@H](C)O 62a_100000755202_100009817552 [0,2,0,0,0,0|1,0,0]=3 9451 B13R1.3 COc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000744180 [0,2,0,0,0,0|1,0,0]=3 9452 B13R1.3 COc1ccc(nn1)NCC(C)C 27a_100000210953_100010231723 [0,2,0,0,0,0|2,0,0]=4 9453 B13R1.3 COc1ccc(nn1)NCC(C)O 27a_100000210904_100010231723 [0,2,0,0,0,0|2,0,0]=4 9454 B13R1.3 COc1ccc(nn1)SCC(C)C 62a_100000210624_100009819040 [0,2,0,0,0,0|2,0,0]=4 9455 B13R1.3 COc1ccc(nn1)SCC(C)C 62a_100009819040_100000210760 [0,2,0,0,0,0|2,0,0]=4 9456 B13R1.3 COc1ccc(nn1)SCC(C)O 62a_100009819040_100011218427 [0,2,0,0,0,0|2,0,0]=4 9457 B13R1.3 COc1ccc(nn1)SCC(C)O 62a_100011218427_100009819040 [0,2,0,0,0,0|2,0,0]=4 9458 B13R1.3 COc1ccc(nn1)SC[C@@H](C)O 62a_100009817552_100009819040 [0,2,0,0,0,0|2,0,0]=4 9459 B13R1.3 COc1ccc(nn1)SC[C@@H](C)O 62a_100009819040_100009817552 [0,2,0,0,0,0|2,0,0]=4 9460 B13R1.3 COc1cnc(cn1)CNC(C)C 207a_100138425928_100000099869 [0,2,0,0,0,0|2,0,0]=4 9461 B13R1.3 COc1cnc(cn1)SCC(C)C 62a_100000210624_100011998698 [0,2,0,0,0,0|2,0,0]=4 9462 B13R1.3 COc1cnc(cn1)SCC(C)C 62a_100011998698_100000210760 [0,2,0,0,0,0|2,0,0]=4 9463 B13R1.3 COc1cnc(cn1)SCC(C)O 62a_100011218427_100011998698 [0,2,0,0,0,0|2,0,0]=4 9464 B13R1.3 COc1cnc(cn1)SCC(C)O 62a_100011998698_100011218427 [0,2,0,0,0,0|2,0,0]=4 9465 B13R1.3 COc1cnc(cn1)SC[C@@H](C)O 62a_100009817552_100011998698 [0,2,0,0,0,0|2,0,0]=4 9466 B13R1.3 COc1cnc(cn1)SC[C@@H](C)O 62a_100011998698_100009817552 [0,2,0,0,0,0|2,0,0]=4 9467 B13R1.3 COc1cnc(nc1)NCC(C)C 27a_100000210953_100000069167 [0,2,0,0,0,0|2,0,0]=4 9468 B13R1.3 COc1cnc(nc1)NCC(C)O 27a_100000210904_100000069167 [0,2,0,0,0,0|2,0,0]=4 9469 B13R1.3 COc1cnc(nc1)SCC(C)C 62a_100000069167_100000210760 [0,2,0,0,0,0|2,0,0]=4 9470 B13R1.3 COc1cnc(nc1)SCC(C)C 62a_100000210624_100000069167 [0,2,0,0,0,0|2,0,0]=4 9471 B13R1.3 COc1cnc(nc1)SCC(C)O 62a_100000069167_100011218427 [0,2,0,0,0,0|2,0,0]=4 9472 B13R1.3 COc1cnc(nc1)SCC(C)O 62a_100011218427_100000069167 [0,2,0,0,0,0|2,0,0]=4 9473 B13R1.3 COc1cnc(nc1)SC[C@@H](C)O 62a_100000069167_100009817552 [0,2,0,0,0,0|2,0,0]=4 9474 B13R1.3 COc1cnc(nc1)SC[C@@H](C)O 62a_100009817552_100000069167 [0,2,0,0,0,0|2,0,0]=4 9475 B13R1.3 COc1ncc(cn1)OCC(C)C 34a_100000099601_100000210624 [0,2,0,0,0,0|2,0,0]=4 9476 B13R1.3 COc1ncc(cn1)OCC(C)C 7a_100000099601_100000210760 [0,2,0,0,0,0|2,0,0]=4 9477 B13R1.3 COc1ncc(cn1)OCC(C)O 34a_100000099601_100011218427 [0,2,0,0,0,0|2,0,0]=4 9478 B13R1.3 COc1ncc(cn1)OCC(C)O 7a_100000099601_100011218427 [0,2,0,0,0,0|2,0,0]=4 9479 B13R1.3 COc1ncc(cn1)OC[C@@H](C)O 34a_100000099601_100009817552 [0,2,0,0,0,0|2,0,0]=4 9480 B13R1.3 COc1ncc(cn1)OC[C@@H](C)O 7a_100000099601_100009817552 [0,2,0,0,0,0|2,0,0]=4 9481 B13R1.3 COc1ncc(cn1)SCC(C)C 62a_100000210624_100000686852 [0,2,0,0,0,0|2,0,0]=4 9482 B13R1.3 COc1ncc(cn1)SCC(C)C 62a_100000686852_100000210760 [0,2,0,0,0,0|2,0,0]=4 9483 B13R1.3 COc1ncc(cn1)SCC(C)O 62a_100000686852_100011218427 [0,2,0,0,0,0|2,0,0]=4 9484 B13R1.3 COc1ncc(cn1)SCC(C)O 62a_100011218427_100000686852 [0,2,0,0,0,0|2,0,0]=4 9485 B13R1.3 COc1ncc(cn1)SC[C@@H](C)O 62a_100000686852_100009817552 [0,2,0,0,0,0|2,0,0]=4 9486 B13R1.3 COc1ncc(cn1)SC[C@@H](C)O 62a_100009817552_100000686852 [0,2,0,0,0,0|2,0,0]=4 9487 B13R1.3 CSc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011263217 [0,2,0,0,0,0|0,1,1]=4 9488 B13R1.3 CSc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011263217 [0,2,0,0,0,0|0,1,1]=4 9489 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,2,0,0,0,0|0,1,0]=3 9490 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,2,0,0,0,0|0,1,0]=3 9491 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,2,0,0,0,0|0,1,0]=3 9492 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,2,0,0,0,0|0,1,1]=4 9493 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,2,0,0,0,0|0,1,1]=4 9494 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,2,0,0,0,0|0,1,0]=3 9495 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,2,0,0,0,0|0,1,1]=4 9496 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,2,0,0,0,0|0,1,1]=4 9497 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,2,0,0,0,0|0,1,1]=4 9498 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,2,0,0,0,0|0,1,1]=4 9499 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,2,0,0,0,0|0,1,1]=4 9500 B13R1.3 CSc1ccc(cc1)CNC(C)C 207a_100138425928_100000211154 [0,2,0,0,0,0|0,1,0]=3 9501 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100000174980_100000210206 [0,2,0,0,0,0|0,1,0]=3 9502 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100138425928_100000181263 [0,2,0,0,0,0|0,1,0]=3 9503 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100000174980_100000210206 [0,2,0,0,0,0|0,1,0]=3 9504 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100138425928_100000181263 [0,2,0,0,0,0|0,1,0]=3 9505 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_100000195760_200000210301 [0,2,0,0,0,0|0,1,0]=3 9506 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_200000210301_100000195760 [0,2,0,0,0,0|0,1,0]=3 9507 B13R1.3 CSc1ccc(cc1)COC(C)C 34a_100000212225_100000181263 [0,2,0,0,0,0|0,1,0]=3 9508 B13R1.3 CSc1ccc(cc1)COC(C)C 34a_100011215404_100000210206 [0,2,0,0,0,0|0,1,0]=3 9509 B13R1.3 CSc1ccc(cc1)COC(C)C 62a_100000758563_200000210301 [0,2,0,0,0,0|0,1,0]=3 9510 B13R1.3 CSc1ccc(cc1)COC(C)C 62a_200000210301_100000758563 [0,2,0,0,0,0|0,1,0]=3 9511 B13R1.3 CSc1ccc(cc1)COC(C)C 7a_100011215404_100000210206 [0,2,0,0,0,0|0,1,0]=3 9512 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000173087_200000210301 [0,2,0,0,0,0|0,1,0]=3 9513 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000181263_100000210206 [0,2,0,0,0,0|0,1,0]=3 9514 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000210206_100000181263 [0,2,0,0,0,0|0,1,0]=3 9515 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_200000210301_100000173087 [0,2,0,0,0,0|0,1,0]=3 9516 B13R1.3 CSc1ccc(cc1)NCC(C)C 34a_100000212337_100000210624 [0,2,0,0,0,0|0,1,0]=3 9517 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200000210301_200011231703 [0,2,0,0,0,0|0,1,0]=3 9518 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200011231703_200000210301 [0,2,0,0,0,0|0,1,0]=3 9519 B13R1.3 CSc1ccc(cc1)NCC(C)O 34a_100000212337_100011218427 [0,2,0,0,0,0|0,1,0]=3 9520 B13R1.3 CSc1ccc(cc1)NCC(F)F 34a_100000212337_100011934356 [0,2,0,0,0,0|1,1,0]=4 9521 B13R1.3 CSc1ccc(cc1)NC[C@@H](C)O 34a_100000212337_100009817552 [0,2,0,0,0,0|0,1,0]=3 9522 B13R1.3 CSc1ccc(cc1)OCC(C)C 34a_100000211864_100000210624 [0,2,0,0,0,0|0,1,0]=3 9523 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000169949_200000210301 [0,2,0,0,0,0|0,1,0]=3 9524 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000210301_200000169949 [0,2,0,0,0,0|0,1,0]=3 9525 B13R1.3 CSc1ccc(cc1)OCC(C)O 34a_100000211864_100011218427 [0,2,0,0,0,0|0,1,0]=3 9526 B13R1.3 CSc1ccc(cc1)OCC(F)F 34a_100000211864_100011934356 [0,2,0,0,0,0|1,1,0]=4 9527 B13R1.3 CSc1ccc(cc1)OC[C@@H](C)O 34a_100000211864_100009817552 [0,2,0,0,0,0|0,1,0]=3 9528 B13R1.3 CSc1ccc(cc1)SCC(C)C 62a_100000210624_100011263217 [0,2,0,0,0,0|0,1,0]=3 9529 B13R1.3 CSc1ccc(cc1)SCC(C)C 62a_100011263217_100000210760 [0,2,0,0,0,0|0,1,0]=3 9530 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011218427_100011263217 [0,2,0,0,0,0|0,1,0]=3 9531 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011263217_100011218427 [0,2,0,0,0,0|0,1,0]=3 9532 B13R1.3 CSc1ccc(cc1)SCC(F)F 62a_100011263217_100011934356 [0,2,0,0,0,0|1,1,0]=4 9533 B13R1.3 CSc1ccc(cc1)SCC(F)F 62a_100011934356_100011263217 [0,2,0,0,0,0|1,1,0]=4 9534 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011263217 [0,2,0,0,0,0|0,1,0]=3 9535 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100011263217_100009817552 [0,2,0,0,0,0|0,1,0]=3 9536 B13R1.3 CSc1ccc(cn1)CNC(C)C 62a_100016992178_200000210301 [0,2,0,0,0,0|1,1,0]=4 9537 B13R1.3 CSc1ccc(cn1)CNC(C)C 62a_200000210301_100016992178 [0,2,0,0,0,0|1,1,0]=4 9538 B13R1.3 CSc1ccc(cn1)SCC(C)C 62a_100000210624_100011408404 [0,2,0,0,0,0|1,1,0]=4 9539 B13R1.3 CSc1ccc(cn1)SCC(C)C 62a_100011408404_100000210760 [0,2,0,0,0,0|1,1,0]=4 9540 B13R1.3 CSc1ccc(cn1)SCC(C)O 62a_100011218427_100011408404 [0,2,0,0,0,0|1,1,0]=4 9541 B13R1.3 CSc1ccc(cn1)SCC(C)O 62a_100011408404_100011218427 [0,2,0,0,0,0|1,1,0]=4 9542 B13R1.3 CSc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100011408404 [0,2,0,0,0,0|1,1,0]=4 9543 B13R1.3 CSc1ccc(cn1)SC[C@@H](C)O 62a_100011408404_100009817552 [0,2,0,0,0,0|1,1,0]=4 9544 B13R1.3 CSc1ccc(nc1)NCC(C)C 27a_100000210953_100009820866 [0,2,0,0,0,0|1,1,0]=4 9545 B13R1.3 CSc1ccc(nc1)NCC(C)O 27a_100000210904_100009820866 [0,2,0,0,0,0|1,1,0]=4 9546 B13R1.3 CSc1ccc(nc1)SCC(C)C 62a_100000210624_100009820866 [0,2,0,0,0,0|1,1,0]=4 9547 B13R1.3 CSc1ccc(nc1)SCC(C)C 62a_100009820866_100000210760 [0,2,0,0,0,0|1,1,0]=4 9548 B13R1.3 CSc1ccc(nc1)SCC(C)O 62a_100009820866_100011218427 [0,2,0,0,0,0|1,1,0]=4 9549 B13R1.3 CSc1ccc(nc1)SCC(C)O 62a_100011218427_100009820866 [0,2,0,0,0,0|1,1,0]=4 9550 B13R1.3 CSc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100009820866 [0,2,0,0,0,0|1,1,0]=4 9551 B13R1.3 CSc1ccc(nc1)SC[C@@H](C)O 62a_100009820866_100009817552 [0,2,0,0,0,0|1,1,0]=4 9552 B13R1.3 C[C@@H](O)CNc1ccc(cc1)C#N 34a_100000185469_100009817552 [0,2,0,0,0,0|2,0,0]=4 9553 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 2230a_100011215238_100009817552 [0,2,0,0,0,0|2,0,0]=4 9554 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 34a_100011215238_100009817552 [0,2,0,0,0,0|2,0,0]=4 9555 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 34a_100000210344_100009817552 [0,2,0,0,0,0|2,0,0]=4 9556 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 7a_100000210344_100009817552 [0,2,0,0,0,0|2,0,0]=4 9557 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [0,2,0,0,0,0|2,0,0]=4 9558 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [0,2,0,0,0,0|2,0,0]=4 9559 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C#N 62a_100009817552_100000184291 [0,2,0,0,0,0|2,0,0]=4 9560 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100000188517_100009817552 [0,2,0,0,0,0|2,0,0]=4 9561 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100009817552_100000188517 [0,2,0,0,0,0|2,0,0]=4 9562 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100009817552_100010268989 [0,2,0,0,0,0|2,0,0]=4 9563 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100010268989_100009817552 [0,2,0,0,0,0|2,0,0]=4 9564 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100009817552_100016989417 [0,2,0,0,0,0|2,0,0]=4 9565 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100016989417_100009817552 [0,2,0,0,0,0|2,0,0]=4 9566 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100000690907_100009817552 [0,2,0,0,0,0|2,0,0]=4 9567 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100009817552_100000690907 [0,2,0,0,0,0|2,0,0]=4 9568 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100009817552_100016988836 [0,2,0,0,0,0|2,0,0]=4 9569 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100016988836_100009817552 [0,2,0,0,0,0|2,0,0]=4 9570 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [0,2,0,0,0,0|2,0,0]=4 9571 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(F)F 2230a_100000766895_200025704644 [0,2,0,0,0,0|2,0,0]=4 9572 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(F)F 34a_100000766895_200025704644 [0,2,0,0,0,0|2,0,0]=4 9573 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,2,0,0,0,0|0,1,1]=4 9574 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,2,0,0,0,0|0,1,1]=4 9575 B13R1.74 C=C(C)c1ccc(cc1)CCC#N 271570a_100000694244_100011216407 [0,2,0,0,0,0|1,0,1]=4 9576 B13R1.74 C=C(C)c1ccc(cc1)CCC=O 271570a_100000694244_100011361538 [0,2,0,0,0,0|1,0,1]=4 9577 B13R1.74 C=C(C)c1ccc(cc1)CCCC 271570a_100000694244_100011215597 [0,2,0,0,0,0|1,0,0]=3 9578 B13R1.74 C=C(C)c1ccc(cc1)CCCC 271570a_100020621405_100000185454 [0,2,0,0,0,0|1,0,0]=3 9579 B13R1.74 C=C(C)c1ccc(cc1)CCCN 271570a_100000694244_100011297623 [0,2,0,0,0,0|1,0,0]=3 9580 B13R1.74 C=C(C)c1ccc(cc1)CCCO 271570a_100000694244_100011709247 [0,2,0,0,0,0|1,0,0]=3 9581 B13R1.74 C=C(C)c1ccc(cc1)CCNC 271570a_100000694244_100000752880 [0,2,0,0,0,0|1,0,0]=3 9582 B13R1.74 C=C(C)c1ccc(cc1)CCOC 271570a_100000694244_100000739703 [0,2,0,0,0,0|1,0,0]=3 9583 B13R1.74 C=C(C)c1ccc(cc1)CNCC 271570a_100000694244_100000187385 [0,2,0,0,0,0|1,0,0]=3 9584 B13R1.74 C=C(C)c1ccc(cc1)COCC 271570a_100000694244_100000758564 [0,2,0,0,0,0|1,0,0]=3 9585 B13R1.74 C=C(C)c1ccc(cc1)OCCC 271570a_100000694244_100000169948 [0,2,0,0,0,0|1,0,0]=3 9586 B13R1.74 C=C(C)c1ccc(cc1)OCCC 34a_100009880102_100000210303 [0,2,0,0,0,0|1,0,0]=3 9587 B13R1.74 C=C(C)c1ccc(cc1)OCCC 7a_100009880102_100000210303 [0,2,0,0,0,0|1,0,0]=3 9588 B13R1.74 C=C(C)c1ccc(cc1)OCCF 271570a_100000694244_100012347556 [0,2,0,0,0,0|2,0,0]=4 9589 B13R1.74 C=C(C)c1ccc(cc1)OCCF 34a_100009880102_100011217306 [0,2,0,0,0,0|2,0,0]=4 9590 B13R1.74 C=C(C)c1ccc(cc1)OCCF 7a_100009880102_100011217306 [0,2,0,0,0,0|2,0,0]=4 9591 B13R1.74 C=C(C)c1ccc(cc1)OCCN 271570a_100000694244_100000746992 [0,2,0,0,0,0|2,0,0]=4 9592 B13R1.74 C=C(C)c1ccc(cc1)OCCO 271570a_100000694244_100000686261 [0,2,0,0,0,0|2,0,0]=4 9593 B13R1.74 C=C(C)c1ccc(cc1)OCCO 34a_100009880102_100000211926 [0,2,0,0,0,0|2,0,0]=4 9594 B13R1.74 C=C(C)c1ccc(cc1)OCCO 7a_100009880102_100000211926 [0,2,0,0,0,0|2,0,0]=4 9595 B13R1.74 C=C(C)c1ccc(cc1)OCOC 271570a_100000694244_100012265687 [0,2,0,0,0,0|2,0,0]=4 9596 B13R1.74 C=C(C)c1ccc(cc1)OCSC 34a_100009880102_100011218213 [0,2,0,0,0,0|2,0,0]=4 9597 B13R1.74 C=C(C)c1ccc(cc1)SCCC 271570a_100000694244_200009811899 [0,2,0,0,0,0|1,0,0]=3 9598 B13R1.74 C=C(C)c1ccc(cc1)SCCC 62a_100000185454_100000210303 [0,2,0,0,0,0|1,0,0]=3 9599 B13R1.74 C=C(C)c1ccc(cc1)SCCC 62a_100000210303_100000185454 [0,2,0,0,0,0|1,0,0]=3 9600 B13R1.74 C=C(C)c1ccc(cc1)SCCF 62a_100000185454_100011217306 [0,2,0,0,0,0|2,0,0]=4 9601 B13R1.74 C=C(C)c1ccc(cc1)SCCF 62a_100011217306_100000185454 [0,2,0,0,0,0|2,0,0]=4 9602 B13R1.74 C=C(C)c1ccc(cc1)SCCN 271570a_100000694244_100000184645 [0,2,0,0,0,0|2,0,0]=4 9603 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000185454_100000211926 [0,2,0,0,0,0|2,0,0]=4 9604 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000211926_100000185454 [0,2,0,0,0,0|2,0,0]=4 9605 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000185454_100000766300 [0,2,0,0,0,0|2,0,0]=4 9606 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000766300_100000185454 [0,2,0,0,0,0|2,0,0]=4 9607 B13R1.74 C=C(C)c1ccc(cc1)SCSC 62a_100000185454_100011218213 [0,2,0,0,0,0|2,0,0]=4 9608 B13R1.74 C=C(C)c1ccc(cc1)SCSC 62a_100011218213_100000185454 [0,2,0,0,0,0|2,0,0]=4 9609 B13R1.74 C=C(C)c1ccc(cn1)COCC 271570a_100000694244_100011206209 [0,2,0,0,0,0|2,0,0]=4 9610 B13R1.74 C=C(C)c1ccc(cn1)OCCC 271570a_100000694244_100000719977 [0,2,0,0,0,0|2,0,0]=4 9611 B13R1.74 C=C(C)c1ccc(nc1)OCCC 271570a_100000694244_100011465619 [0,2,0,0,0,0|2,0,0]=4 9612 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200000038727_200025704644 [0,2,0,0,0,0|1,0,0]=3 9613 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200025704644_200000038727 [0,2,0,0,0,0|1,0,0]=3 9614 B13R1.74 CC(=O)c1ccc(cc1)COCF 7a_100000082505_100015361967 [0,2,0,0,0,0|2,0,0]=4 9615 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100000756337_100015361967 [0,2,0,0,0,0|2,0,0]=4 9616 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000756337 [0,2,0,0,0,0|2,0,0]=4 9617 B13R1.74 CC(=O)c1ccc(cc1)OCCF 34a_100000185113_100011217306 [0,2,0,0,0,0|2,0,0]=4 9618 B13R1.74 CC(=O)c1ccc(cc1)OCCF 7a_100000185113_100011217306 [0,2,0,0,0,0|2,0,0]=4 9619 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|2,0,0]=4 9620 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|2,0,0]=4 9621 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|2,0,0]=4 9622 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100000185465_100011217306 [0,2,0,0,0,0|2,0,0]=4 9623 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000185465 [0,2,0,0,0,0|2,0,0]=4 9624 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|2,0,0]=4 9625 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|2,0,0]=4 9626 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|2,0,0]=4 9627 B13R1.74 CC(C)c1ccc(cc1)CCN[13CH3] 2230a_100000181363_200025704644 [0,2,0,0,0,0|1,0,0]=3 9628 B13R1.74 CC(C)c1ccc(cc1)CCN[13CH3] 34a_100000181363_200025704644 [0,2,0,0,0,0|1,0,0]=3 9629 B13R1.74 CC(C)c1ccc(cc1)CNCF 34a_100000174979_100015361967 [0,2,0,0,0,0|2,0,0]=4 9630 B13R1.74 CC(C)c1ccc(cc1)COCF 34a_100000181325_100015361967 [0,2,0,0,0,0|2,0,0]=4 9631 B13R1.74 CC(C)c1ccc(cc1)COCF 7a_100000181325_100015361967 [0,2,0,0,0,0|2,0,0]=4 9632 B13R1.74 CC(C)c1ccc(cc1)CSCF 62a_100000181262_100015361967 [0,2,0,0,0,0|2,0,0]=4 9633 B13R1.74 CC(C)c1ccc(cc1)CSCF 62a_100015361967_100000181262 [0,2,0,0,0,0|2,0,0]=4 9634 B13R1.74 CC(C)c1ccc(cc1)NCCF 2230a_100000210773_100011217306 [0,2,0,0,0,0|2,0,0]=4 9635 B13R1.74 CC(C)c1ccc(cc1)NCCF 34a_100000210773_100011217306 [0,2,0,0,0,0|2,0,0]=4 9636 B13R1.74 CC(C)c1ccc(cc1)NCCF 7a_100000210773_100011217306 [0,2,0,0,0,0|2,0,0]=4 9637 B13R1.74 CC(C)c1ccc(cc1)NCCO 2230a_100000210773_100000211926 [0,2,0,0,0,0|2,0,0]=4 9638 B13R1.74 CC(C)c1ccc(cc1)NCCO 34a_100000210773_100000211926 [0,2,0,0,0,0|2,0,0]=4 9639 B13R1.74 CC(C)c1ccc(cc1)NCCO 7a_100000210773_100000211926 [0,2,0,0,0,0|2,0,0]=4 9640 B13R1.74 CC(C)c1ccc(cc1)OCCF 34a_100000181308_100011217306 [0,2,0,0,0,0|2,0,0]=4 9641 B13R1.74 CC(C)c1ccc(cc1)OCCF 7a_100000181308_100011217306 [0,2,0,0,0,0|2,0,0]=4 9642 B13R1.74 CC(C)c1ccc(cc1)OCCO 34a_100000181308_100000211926 [0,2,0,0,0,0|2,0,0]=4 9643 B13R1.74 CC(C)c1ccc(cc1)OCCO 7a_100000181308_100000211926 [0,2,0,0,0,0|2,0,0]=4 9644 B13R1.74 CC(C)c1ccc(cc1)SCCF 62a_100000750031_100011217306 [0,2,0,0,0,0|2,0,0]=4 9645 B13R1.74 CC(C)c1ccc(cc1)SCCF 62a_100011217306_100000750031 [0,2,0,0,0,0|2,0,0]=4 9646 B13R1.74 CC(C)c1ccc(cc1)SCCO 62a_100000211926_100000750031 [0,2,0,0,0,0|2,0,0]=4 9647 B13R1.74 CC(C)c1ccc(cc1)SCCO 62a_100000750031_100000211926 [0,2,0,0,0,0|2,0,0]=4 9648 B13R1.74 CC(O)c1ccc(cc1)CNCF 34a_200000048501_100015361967 [0,2,0,0,0,0|2,0,0]=4 9649 B13R1.74 CC(O)c1ccc(cc1)NCCF 2230a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 9650 B13R1.74 CC(O)c1ccc(cc1)NCCF 34a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 9651 B13R1.74 CC(O)c1ccc(cc1)NCCO 2230a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 9652 B13R1.74 CC(O)c1ccc(cc1)NCCO 34a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 9653 B13R1.74 CC(O)c1ccc(cc1)OCCF 34a_100000754508_100011217306 [0,2,0,0,0,0|2,0,0]=4 9654 B13R1.74 CC(O)c1ccc(cc1)OCCF 7a_100000754508_100011217306 [0,2,0,0,0,0|2,0,0]=4 9655 B13R1.74 CC(O)c1ccc(cc1)OCCO 34a_100000754508_100000211926 [0,2,0,0,0,0|2,0,0]=4 9656 B13R1.74 CC(O)c1ccc(cc1)OCCO 7a_100000754508_100000211926 [0,2,0,0,0,0|2,0,0]=4 9657 B13R1.74 CC(O)c1ccc(cc1)SCCF 62a_100000745893_100011217306 [0,2,0,0,0,0|2,0,0]=4 9658 B13R1.74 CC(O)c1ccc(cc1)SCCF 62a_100011217306_100000745893 [0,2,0,0,0,0|2,0,0]=4 9659 B13R1.74 CC(O)c1ccc(cc1)SCCO 62a_100000211926_100000745893 [0,2,0,0,0,0|2,0,0]=4 9660 B13R1.74 CC(O)c1ccc(cc1)SCCO 62a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 9661 B13R1.74 CCCCc1ccc(cc1)B(O)O 271570a_100020621405_100000754493 [0,2,0,0,0,0|2,0,0]=4 9662 B13R1.74 CCCCc1ccc(cc1)C(=O)C 1458a_100000186158_200000210301 [0,2,0,0,0,0|1,0,0]=3 9663 B13R1.74 CCCCc1ccc(cc1)C(=O)C 271570a_100020621405_100000185465 [0,2,0,0,0,0|1,0,0]=3 9664 B13R1.74 CCCCc1ccc(cc1)C(=O)N 271570a_100020621405_100000162191 [0,2,0,0,0,0|2,0,0]=4 9665 B13R1.74 CCCCc1ccc(cc1)C(=O)[13CH3] 1458a_100000186158_200025704644 [0,2,0,0,0,0|1,0,0]=3 9666 B13R1.74 CCCCc1ccc(cc1)C(C)C 271570a_100020621405_100000750031 [0,2,0,0,0,0|1,0,0]=3 9667 B13R1.74 CCCCc1ccc(cc1)C(C)O 271570a_100020621405_100000745893 [0,2,0,0,0,0|1,0,0]=3 9668 B13R1.74 CCCCc1ccc(cc1)C(F)F 271570a_100020621405_100010189923 [0,2,0,0,0,0|2,0,0]=4 9669 B13R1.74 CCCCc1ccc(cc1)N(C)C 271570a_100020621405_100000210421 [0,2,0,0,0,0|1,0,0]=3 9670 B13R1.74 CCCCc1ccc(cc1)S(=O)C 271570a_100020621405_100009816266 [0,2,0,0,0,0|0,1,0]=3 9671 B13R1.74 CCCCc1ccc(cc1)[C@@H](C)N 271570a_100020621405_100000720352 [0,2,0,0,0,0|1,0,0]=3 9672 B13R1.74 CCCCc1ccc(cc1)[C@H](C)N 271570a_100020621405_100000753911 [0,2,0,0,0,0|1,0,0]=3 9673 B13R1.74 CCCCc1ccc(cn1)C(=O)C 271570a_100020621405_100000684857 [0,2,0,0,0,0|2,0,0]=4 9674 B13R1.74 CCCCc1ccc(cn1)C(C)C 271570a_100020621405_200009815286 [0,2,0,0,0,0|2,0,0]=4 9675 B13R1.74 CCCCc1ccc(cn1)C(C)O 271570a_100020621405_200010274204 [0,2,0,0,0,0|2,0,0]=4 9676 B13R1.74 CCCCc1ccc(cn1)N(C)C 271570a_100020621405_100009992925 [0,2,0,0,0,0|2,0,0]=4 9677 B13R1.74 CCCCc1ccc(cn1)[C@H](C)N 271570a_100020621405_100015387476 [0,2,0,0,0,0|2,0,0]=4 9678 B13R1.74 CCCCc1ccc(nc1)C(=O)C 271570a_100020621405_100000686046 [0,2,0,0,0,0|2,0,0]=4 9679 B13R1.74 CCCCc1ccc(nc1)C(C)C 271570a_100020621405_100010255768 [0,2,0,0,0,0|2,0,0]=4 9680 B13R1.74 CCCCc1ccc(nc1)C(C)N 271570a_100020621405_100000723930 [0,2,0,0,0,0|2,0,0]=4 9681 B13R1.74 CCCCc1ccc(nc1)C(C)O 271570a_100020621405_100012353650 [0,2,0,0,0,0|2,0,0]=4 9682 B13R1.74 CCCCc1ccc(nc1)N(C)C 271570a_100020621405_100011465347 [0,2,0,0,0,0|2,0,0]=4 9683 B13R1.74 CCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210303 [0,2,0,0,0,0|2,0,0]=4 9684 B13R1.74 CCCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210303 [0,2,0,0,0,0|1,0,0]=3 9685 B13R1.74 CCCNc1ccc(cc1)C(C)C 34a_100000210773_100000210303 [0,2,0,0,0,0|1,0,0]=3 9686 B13R1.74 CCCNc1ccc(cc1)C(C)C 7a_100000210773_100000210303 [0,2,0,0,0,0|1,0,0]=3 9687 B13R1.74 CCCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210303 [0,2,0,0,0,0|1,0,0]=3 9688 B13R1.74 CCCNc1ccc(cc1)C(C)O 34a_100011216399_100000210303 [0,2,0,0,0,0|1,0,0]=3 9689 B13R1.74 CCCNc1ccc(cc1)C(F)F 34a_100020620101_100000210303 [0,2,0,0,0,0|2,0,0]=4 9690 B13R1.74 CCCNc1ccc(cc1)C(F)F 7a_100020620101_100000210303 [0,2,0,0,0,0|2,0,0]=4 9691 B13R1.74 CCCNc1ccc(cc1)N(C)C 34a_100016997997_100000210303 [0,2,0,0,0,0|1,0,0]=3 9692 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210303 [0,2,0,0,0,0|2,0,0]=4 9693 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210303 [0,2,0,0,0,0|2,0,0]=4 9694 B13R1.74 CCCOc1ccc(cc1)C(=O)C 1458a_100000182924_200000210301 [0,2,0,0,0,0|1,0,0]=3 9695 B13R1.74 CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210303 [0,2,0,0,0,0|1,0,0]=3 9696 B13R1.74 CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210303 [0,2,0,0,0,0|1,0,0]=3 9697 B13R1.74 CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210303 [0,2,0,0,0,0|2,0,0]=4 9698 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210303 [0,2,0,0,0,0|2,0,0]=4 9699 B13R1.74 CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182924_200025704644 [0,2,0,0,0,0|1,0,0]=3 9700 B13R1.74 CCCOc1ccc(cc1)C(C)C 34a_100000181308_100000210303 [0,2,0,0,0,0|1,0,0]=3 9701 B13R1.74 CCCOc1ccc(cc1)C(C)C 7a_100000181308_100000210303 [0,2,0,0,0,0|1,0,0]=3 9702 B13R1.74 CCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210303 [0,2,0,0,0,0|1,0,0]=3 9703 B13R1.74 CCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210303 [0,2,0,0,0,0|1,0,0]=3 9704 B13R1.74 CCCOc1ccc(cc1)N(C)C 34a_100000718910_100000210303 [0,2,0,0,0,0|1,0,0]=3 9705 B13R1.74 CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210303 [0,2,0,0,0,0|0,1,0]=3 9706 B13R1.74 CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210303 [0,2,0,0,0,0|0,1,0]=3 9707 B13R1.74 CCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210303 [0,2,0,0,0,0|1,0,0]=3 9708 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210303 [0,2,0,0,0,0|2,0,0]=4 9709 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210303 [0,2,0,0,0,0|2,0,0]=4 9710 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210303 [0,2,0,0,0,0|0,1,0]=3 9711 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210303 [0,2,0,0,0,0|0,1,0]=3 9712 B13R1.74 CCCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210303 [0,2,0,0,0,0|2,0,0]=4 9713 B13R1.74 CCCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210303 [0,2,0,0,0,0|2,0,0]=4 9714 B13R1.74 CCCSc1ccc(cc1)B(O)O 62a_100000210303_100000754493 [0,2,0,0,0,0|2,0,0]=4 9715 B13R1.74 CCCSc1ccc(cc1)B(O)O 62a_100000754493_100000210303 [0,2,0,0,0,0|2,0,0]=4 9716 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210303 [0,2,0,0,0,0|1,0,0]=3 9717 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000210303_100000185465 [0,2,0,0,0,0|1,0,0]=3 9718 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210303 [0,2,0,0,0,0|2,0,0]=4 9719 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000210303_100000162191 [0,2,0,0,0,0|2,0,0]=4 9720 B13R1.74 CCCSc1ccc(cc1)C(C)C 62a_100000210303_100000750031 [0,2,0,0,0,0|1,0,0]=3 9721 B13R1.74 CCCSc1ccc(cc1)C(C)C 62a_100000750031_100000210303 [0,2,0,0,0,0|1,0,0]=3 9722 B13R1.74 CCCSc1ccc(cc1)C(C)O 62a_100000210303_100000745893 [0,2,0,0,0,0|1,0,0]=3 9723 B13R1.74 CCCSc1ccc(cc1)C(C)O 62a_100000745893_100000210303 [0,2,0,0,0,0|1,0,0]=3 9724 B13R1.74 CCCSc1ccc(cc1)C(F)F 62a_100000210303_100000687661 [0,2,0,0,0,0|2,0,0]=4 9725 B13R1.74 CCCSc1ccc(cc1)C(F)F 62a_100000687661_100000210303 [0,2,0,0,0,0|2,0,0]=4 9726 B13R1.74 CCCSc1ccc(cc1)N(C)C 62a_100000210303_100000210421 [0,2,0,0,0,0|1,0,0]=3 9727 B13R1.74 CCCSc1ccc(cc1)N(C)C 62a_100000210421_100000210303 [0,2,0,0,0,0|1,0,0]=3 9728 B13R1.74 CCCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210303 [0,2,0,0,0,0|0,1,0]=3 9729 B13R1.74 CCCSc1ccc(cc1)[C@@H](C)N 62a_100000210303_100000720352 [0,2,0,0,0,0|1,0,0]=3 9730 B13R1.74 CCCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210303 [0,2,0,0,0,0|1,0,0]=3 9731 B13R1.74 CCCSc1ccc(cc1)[C@H](C)N 62a_100000210303_100000753911 [0,2,0,0,0,0|1,0,0]=3 9732 B13R1.74 CCCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210303 [0,2,0,0,0,0|1,0,0]=3 9733 B13R1.74 CCCSc1ccc(cn1)C(=O)C 62a_100000210303_100000684857 [0,2,0,0,0,0|2,0,0]=4 9734 B13R1.74 CCCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210303 [0,2,0,0,0,0|2,0,0]=4 9735 B13R1.74 CCCSc1ccc(cn1)C(C)C 62a_100000210303_200009815286 [0,2,0,0,0,0|2,0,0]=4 9736 B13R1.74 CCCSc1ccc(cn1)C(C)C 62a_200009815286_100000210303 [0,2,0,0,0,0|2,0,0]=4 9737 B13R1.74 CCCSc1ccc(cn1)C(C)O 62a_100000210303_200010274204 [0,2,0,0,0,0|2,0,0]=4 9738 B13R1.74 CCCSc1ccc(cn1)C(C)O 62a_200010274204_100000210303 [0,2,0,0,0,0|2,0,0]=4 9739 B13R1.74 CCCSc1ccc(cn1)N(C)C 62a_100000210303_100009992925 [0,2,0,0,0,0|2,0,0]=4 9740 B13R1.74 CCCSc1ccc(cn1)N(C)C 62a_100009992925_100000210303 [0,2,0,0,0,0|2,0,0]=4 9741 B13R1.74 CCCSc1ccc(cn1)[C@H](C)N 62a_100000210303_100015387476 [0,2,0,0,0,0|2,0,0]=4 9742 B13R1.74 CCCSc1ccc(cn1)[C@H](C)N 62a_100015387476_100000210303 [0,2,0,0,0,0|2,0,0]=4 9743 B13R1.74 CCCSc1ccc(nc1)C(=O)C 62a_100000210303_100000686046 [0,2,0,0,0,0|2,0,0]=4 9744 B13R1.74 CCCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210303 [0,2,0,0,0,0|2,0,0]=4 9745 B13R1.74 CCCSc1ccc(nc1)C(C)C 62a_100000210303_100010255768 [0,2,0,0,0,0|2,0,0]=4 9746 B13R1.74 CCCSc1ccc(nc1)C(C)C 62a_100010255768_100000210303 [0,2,0,0,0,0|2,0,0]=4 9747 B13R1.74 CCCSc1ccc(nc1)C(C)N 62a_100000210303_100000723930 [0,2,0,0,0,0|2,0,0]=4 9748 B13R1.74 CCCSc1ccc(nc1)C(C)N 62a_100000723930_100000210303 [0,2,0,0,0,0|2,0,0]=4 9749 B13R1.74 CCCSc1ccc(nc1)C(C)O 62a_100000210303_100012353650 [0,2,0,0,0,0|2,0,0]=4 9750 B13R1.74 CCCSc1ccc(nc1)C(C)O 62a_100012353650_100000210303 [0,2,0,0,0,0|2,0,0]=4 9751 B13R1.74 CCCSc1ccc(nc1)N(C)C 62a_100000210303_100011465347 [0,2,0,0,0,0|2,0,0]=4 9752 B13R1.74 CCCSc1ccc(nc1)N(C)C 62a_100011465347_100000210303 [0,2,0,0,0,0|2,0,0]=4 9753 B13R1.74 CCNCc1ccc(cc1)B(O)O 2230a_100015525214_100009813762 [0,2,0,0,0,0|2,0,0]=4 9754 B13R1.74 CCNCc1ccc(cc1)C(=O)C 2230a_100015525214_100000756337 [0,2,0,0,0,0|1,0,0]=3 9755 B13R1.74 CCNCc1ccc(cc1)C(=O)N 207a_100015525214_100000038677 [0,2,0,0,0,0|2,0,0]=4 9756 B13R1.74 CCNCc1ccc(cc1)C(=O)N 2230a_100015525214_100000231043 [0,2,0,0,0,0|2,0,0]=4 9757 B13R1.74 CCNCc1ccc(cc1)C(=O)N 270004a_100015525214_100000038677 [0,2,0,0,0,0|2,0,0]=4 9758 B13R1.74 CCNCc1ccc(cc1)C(=O)O 269956a_100000181780_100000210202 [0,2,0,0,0,0|2,0,0]=4 9759 B13R1.74 CCNCc1ccc(cc1)C(C)C 207a_100015525214_100000210693 [0,2,0,0,0,0|1,0,0]=3 9760 B13R1.74 CCNCc1ccc(cc1)C(C)C 2230a_100000174979_100000210202 [0,2,0,0,0,0|1,0,0]=3 9761 B13R1.74 CCNCc1ccc(cc1)C(C)C 2230a_100015525214_100000181262 [0,2,0,0,0,0|1,0,0]=3 9762 B13R1.74 CCNCc1ccc(cc1)C(C)C 270004a_100015525214_100000210693 [0,2,0,0,0,0|1,0,0]=3 9763 B13R1.74 CCNCc1ccc(cc1)C(C)C 34a_100000174979_100000210202 [0,2,0,0,0,0|1,0,0]=3 9764 B13R1.74 CCNCc1ccc(cc1)C(C)O 2230a_200000048501_100000210202 [0,2,0,0,0,0|1,0,0]=3 9765 B13R1.74 CCNCc1ccc(cc1)C(C)O 34a_200000048501_100000210202 [0,2,0,0,0,0|1,0,0]=3 9766 B13R1.74 CCNCc1ccc(cc1)C(F)F 2230a_100015525214_200012343607 [0,2,0,0,0,0|2,0,0]=4 9767 B13R1.74 CCNCc1ccc(cc1)C(F)F 2230a_100025706676_100000210202 [0,2,0,0,0,0|2,0,0]=4 9768 B13R1.74 CCNCc1ccc(cc1)C(F)F 34a_100025706676_100000210202 [0,2,0,0,0,0|2,0,0]=4 9769 B13R1.74 CCNCc1ccc(cc1)N(C)C 207a_100015525214_100000185837 [0,2,0,0,0,0|1,0,0]=3 9770 B13R1.74 CCNCc1ccc(cc1)N(C)C 270004a_100015525214_100000185837 [0,2,0,0,0,0|1,0,0]=3 9771 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 207a_100015525214_100000189386 [0,2,0,0,0,0|2,0,0]=4 9772 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210202 [0,2,0,0,0,0|2,0,0]=4 9773 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000181861 [0,2,0,0,0,0|2,0,0]=4 9774 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100015525214_100000189386 [0,2,0,0,0,0|2,0,0]=4 9775 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210202 [0,2,0,0,0,0|2,0,0]=4 9776 B13R1.74 CCNCc1ccc(nc1)N(C)C 207a_100015525214_100000693196 [0,2,0,0,0,0|2,0,0]=4 9777 B13R1.74 CCNCc1ccc(nc1)N(C)C 2230a_100000738136_100000210202 [0,2,0,0,0,0|2,0,0]=4 9778 B13R1.74 CCNCc1ccc(nc1)N(C)C 270004a_100015525214_100000693196 [0,2,0,0,0,0|2,0,0]=4 9779 B13R1.74 CCOCc1ccc(cc1)B(O)O 34a_100121572206_100009813762 [0,2,0,0,0,0|2,0,0]=4 9780 B13R1.74 CCOCc1ccc(cc1)C(=O)C 34a_100121572206_100000756337 [0,2,0,0,0,0|1,0,0]=3 9781 B13R1.74 CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210202 [0,2,0,0,0,0|1,0,0]=3 9782 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000210202 [0,2,0,0,0,0|2,0,0]=4 9783 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100121572206_100000231043 [0,2,0,0,0,0|2,0,0]=4 9784 B13R1.74 CCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000210202 [0,2,0,0,0,0|2,0,0]=4 9785 B13R1.74 CCOCc1ccc(cc1)C(C)C 34a_100000181325_100000210202 [0,2,0,0,0,0|1,0,0]=3 9786 B13R1.74 CCOCc1ccc(cc1)C(C)C 34a_100121572206_100000181262 [0,2,0,0,0,0|1,0,0]=3 9787 B13R1.74 CCOCc1ccc(cc1)C(C)C 7a_100000181325_100000210202 [0,2,0,0,0,0|1,0,0]=3 9788 B13R1.74 CCOCc1ccc(cc1)C(F)F 34a_100121572206_200012343607 [0,2,0,0,0,0|2,0,0]=4 9789 B13R1.74 CCOCc1ccc(cc1)N(C)C 34a_100000238745_100000210202 [0,2,0,0,0,0|1,0,0]=3 9790 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210202 [0,2,0,0,0,0|2,0,0]=4 9791 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000181861 [0,2,0,0,0,0|2,0,0]=4 9792 B13R1.74 CCSCc1ccc(cc1)B(O)O 62a_100000210202_100009813762 [0,2,0,0,0,0|2,0,0]=4 9793 B13R1.74 CCSCc1ccc(cc1)B(O)O 62a_100009813762_100000210202 [0,2,0,0,0,0|2,0,0]=4 9794 B13R1.74 CCSCc1ccc(cc1)C(=O)C 1458a_100000193729_200000210301 [0,2,0,0,0,0|1,0,0]=3 9795 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000210202_100000756337 [0,2,0,0,0,0|1,0,0]=3 9796 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000756337_100000210202 [0,2,0,0,0,0|1,0,0]=3 9797 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000210202_100000231043 [0,2,0,0,0,0|2,0,0]=4 9798 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000231043_100000210202 [0,2,0,0,0,0|2,0,0]=4 9799 B13R1.74 CCSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000193729_200025704644 [0,2,0,0,0,0|1,0,0]=3 9800 B13R1.74 CCSCc1ccc(cc1)C(C)C 62a_100000181262_100000210202 [0,2,0,0,0,0|1,0,0]=3 9801 B13R1.74 CCSCc1ccc(cc1)C(C)C 62a_100000210202_100000181262 [0,2,0,0,0,0|1,0,0]=3 9802 B13R1.74 CCSCc1ccc(cc1)C(F)F 62a_100000210202_200012343607 [0,2,0,0,0,0|2,0,0]=4 9803 B13R1.74 CCSCc1ccc(cc1)C(F)F 62a_200012343607_100000210202 [0,2,0,0,0,0|2,0,0]=4 9804 B13R1.74 CCSCc1ccc(cc1)[N+](=O)[O-] 62a_100000210202_100000184243 [0,2,0,0,0,0|2,0,0]=4 9805 B13R1.74 CN(C)c1ccc(cc1)CCN[13CH3] 34a_200103168616_200025704644 [0,2,0,0,0,0|1,0,0]=3 9806 B13R1.74 CN(C)c1ccc(cc1)CCO[13CH3] 34a_100011217799_200025704644 [0,2,0,0,0,0|1,0,0]=3 9807 B13R1.74 CN(C)c1ccc(cc1)COCF 34a_100000238745_100015361967 [0,2,0,0,0,0|2,0,0]=4 9808 B13R1.74 CN(C)c1ccc(cc1)NCCF 34a_100016997997_100011217306 [0,2,0,0,0,0|2,0,0]=4 9809 B13R1.74 CN(C)c1ccc(cc1)NCCO 34a_100016997997_100000211926 [0,2,0,0,0,0|2,0,0]=4 9810 B13R1.74 CN(C)c1ccc(cc1)OCCF 34a_100000718910_100011217306 [0,2,0,0,0,0|2,0,0]=4 9811 B13R1.74 CN(C)c1ccc(cc1)OCCO 34a_100000718910_100000211926 [0,2,0,0,0,0|2,0,0]=4 9812 B13R1.74 CN(C)c1ccc(cc1)SCCF 62a_100000210421_100011217306 [0,2,0,0,0,0|2,0,0]=4 9813 B13R1.74 CN(C)c1ccc(cc1)SCCF 62a_100011217306_100000210421 [0,2,0,0,0,0|2,0,0]=4 9814 B13R1.74 CN(C)c1ccc(cc1)SCCO 62a_100000210421_100000211926 [0,2,0,0,0,0|2,0,0]=4 9815 B13R1.74 CN(C)c1ccc(cc1)SCCO 62a_100000211926_100000210421 [0,2,0,0,0,0|2,0,0]=4 9816 B13R1.74 CNCCc1ccc(cc1)C(=O)C 2230a_106832991635_200000038727 [0,2,0,0,0,0|1,0,0]=3 9817 B13R1.74 CNCCc1ccc(cc1)C(=O)C 34a_100102657272_200000038727 [0,2,0,0,0,0|1,0,0]=3 9818 B13R1.74 CNCCc1ccc(cc1)C(=O)C 7a_106832991635_200000038727 [0,2,0,0,0,0|1,0,0]=3 9819 B13R1.74 CNCCc1ccc(cc1)C(=O)O 269956a_100000704756_200000210301 [0,2,0,0,0,0|2,0,0]=4 9820 B13R1.74 CNCCc1ccc(cc1)C(C)C 2230a_100000181363_200000210301 [0,2,0,0,0,0|1,0,0]=3 9821 B13R1.74 CNCCc1ccc(cc1)C(C)C 270004a_106832991635_100000694422 [0,2,0,0,0,0|1,0,0]=3 9822 B13R1.74 CNCCc1ccc(cc1)C(C)C 34a_100000181363_200000210301 [0,2,0,0,0,0|1,0,0]=3 9823 B13R1.74 CNCCc1ccc(cc1)N(C)C 34a_200103168616_200000210301 [0,2,0,0,0,0|1,0,0]=3 9824 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200000210301 [0,2,0,0,0,0|2,0,0]=4 9825 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000736421 [0,2,0,0,0,0|2,0,0]=4 9826 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200000210301 [0,2,0,0,0,0|2,0,0]=4 9827 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000736421 [0,2,0,0,0,0|2,0,0]=4 9828 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000736421 [0,2,0,0,0,0|2,0,0]=4 9829 B13R1.74 COCCc1ccc(cc1)C(=O)C 34a_100138415774_200000038727 [0,2,0,0,0,0|1,0,0]=3 9830 B13R1.74 COCCc1ccc(cc1)N(C)C 34a_100011217799_200000210301 [0,2,0,0,0,0|1,0,0]=3 9831 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200000210301 [0,2,0,0,0,0|2,0,0]=4 9832 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000736421 [0,2,0,0,0,0|2,0,0]=4 9833 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200000210301 [0,2,0,0,0,0|2,0,0]=4 9834 B13R1.74 COCNc1ccc(cc1)C(C)C 2230a_100000210773_100000766300 [0,2,0,0,0,0|2,0,0]=4 9835 B13R1.74 COCNc1ccc(cc1)C(C)O 2230a_100011216399_100000766300 [0,2,0,0,0,0|2,0,0]=4 9836 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [0,2,0,0,0,0|2,0,0]=4 9837 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [0,2,0,0,0,0|2,0,0]=4 9838 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000185465_100000766300 [0,2,0,0,0,0|2,0,0]=4 9839 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000766300_100000185465 [0,2,0,0,0,0|2,0,0]=4 9840 B13R1.74 COCSc1ccc(cc1)C(C)C 62a_100000750031_100000766300 [0,2,0,0,0,0|2,0,0]=4 9841 B13R1.74 COCSc1ccc(cc1)C(C)C 62a_100000766300_100000750031 [0,2,0,0,0,0|2,0,0]=4 9842 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000745893_100000766300 [0,2,0,0,0,0|2,0,0]=4 9843 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000766300_100000745893 [0,2,0,0,0,0|2,0,0]=4 9844 B13R1.74 COCSc1ccc(cc1)N(C)C 62a_100000210421_100000766300 [0,2,0,0,0,0|2,0,0]=4 9845 B13R1.74 COCSc1ccc(cc1)N(C)C 62a_100000766300_100000210421 [0,2,0,0,0,0|2,0,0]=4 9846 B13R1.74 COCSc1ccc(cc1)S(=O)C 62a_100009816266_100000766300 [0,2,0,0,0,0|1,1,0]=4 9847 B13R1.74 COCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000766300 [0,2,0,0,0,0|2,0,0]=4 9848 B13R1.74 COCSc1ccc(cc1)[C@@H](C)N 62a_100000766300_100000720352 [0,2,0,0,0,0|2,0,0]=4 9849 B13R1.74 COCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000766300 [0,2,0,0,0,0|2,0,0]=4 9850 B13R1.74 COCSc1ccc(cc1)[C@H](C)N 62a_100000766300_100000753911 [0,2,0,0,0,0|2,0,0]=4 9851 B13R1.74 CS(=O)c1ccc(cc1)OCCF 34a_200000064373_100011217306 [0,2,0,0,0,0|1,1,0]=4 9852 B13R1.74 CS(=O)c1ccc(cc1)OCCF 7a_200000064373_100011217306 [0,2,0,0,0,0|1,1,0]=4 9853 B13R1.74 CS(=O)c1ccc(cc1)OCCO 34a_200000064373_100000211926 [0,2,0,0,0,0|1,1,0]=4 9854 B13R1.74 CS(=O)c1ccc(cc1)OCCO 7a_200000064373_100000211926 [0,2,0,0,0,0|1,1,0]=4 9855 B13R1.74 CS(=O)c1ccc(cc1)SCCF 62a_100009816266_100011217306 [0,2,0,0,0,0|1,1,0]=4 9856 B13R1.74 CS(=O)c1ccc(cc1)SCCO 62a_100009816266_100000211926 [0,2,0,0,0,0|1,1,0]=4 9857 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000038727_200000210301 [0,2,0,0,0,0|1,0,0]=3 9858 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000210301_200000038727 [0,2,0,0,0,0|1,0,0]=3 9859 B13R1.74 CSCCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000736421 [0,2,0,0,0,0|2,0,0]=4 9860 B13R1.74 CSCNc1ccc(cc1)C(C)C 2230a_100000210773_100011218213 [0,2,0,0,0,0|2,0,0]=4 9861 B13R1.74 CSCNc1ccc(cc1)C(C)C 34a_100000210773_100011218213 [0,2,0,0,0,0|2,0,0]=4 9862 B13R1.74 CSCNc1ccc(cc1)C(C)O 2230a_100011216399_100011218213 [0,2,0,0,0,0|2,0,0]=4 9863 B13R1.74 CSCNc1ccc(cc1)C(C)O 34a_100011216399_100011218213 [0,2,0,0,0,0|2,0,0]=4 9864 B13R1.74 CSCNc1ccc(cc1)N(C)C 34a_100016997997_100011218213 [0,2,0,0,0,0|2,0,0]=4 9865 B13R1.74 CSCOc1ccc(cc1)C(=O)C 34a_100000185113_100011218213 [0,2,0,0,0,0|2,0,0]=4 9866 B13R1.74 CSCOc1ccc(cc1)C(C)C 34a_100000181308_100011218213 [0,2,0,0,0,0|2,0,0]=4 9867 B13R1.74 CSCOc1ccc(cc1)C(C)O 34a_100000754508_100011218213 [0,2,0,0,0,0|2,0,0]=4 9868 B13R1.74 CSCOc1ccc(cc1)N(C)C 34a_100000718910_100011218213 [0,2,0,0,0,0|2,0,0]=4 9869 B13R1.74 CSCOc1ccc(cc1)S(=O)C 34a_200000064373_100011218213 [0,2,0,0,0,0|1,1,0]=4 9870 B13R1.74 CSCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100011218213 [0,2,0,0,0,0|2,0,0]=4 9871 B13R1.74 CSCOc1ccc(cc1)[S+](C)C 34a_100010188728_100011218213 [0,2,0,0,0,0|1,1,0]=4 9872 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100000185465_100011218213 [0,2,0,0,0,0|2,0,0]=4 9873 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100011218213_100000185465 [0,2,0,0,0,0|2,0,0]=4 9874 B13R1.74 CSCSc1ccc(cc1)C(C)C 62a_100000750031_100011218213 [0,2,0,0,0,0|2,0,0]=4 9875 B13R1.74 CSCSc1ccc(cc1)C(C)C 62a_100011218213_100000750031 [0,2,0,0,0,0|2,0,0]=4 9876 B13R1.74 CSCSc1ccc(cc1)C(C)O 62a_100000745893_100011218213 [0,2,0,0,0,0|2,0,0]=4 9877 B13R1.74 CSCSc1ccc(cc1)C(C)O 62a_100011218213_100000745893 [0,2,0,0,0,0|2,0,0]=4 9878 B13R1.74 CSCSc1ccc(cc1)N(C)C 62a_100000210421_100011218213 [0,2,0,0,0,0|2,0,0]=4 9879 B13R1.74 CSCSc1ccc(cc1)N(C)C 62a_100011218213_100000210421 [0,2,0,0,0,0|2,0,0]=4 9880 B13R1.74 CSCSc1ccc(cc1)S(=O)C 62a_100009816266_100011218213 [0,2,0,0,0,0|1,1,0]=4 9881 B13R1.74 CSCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100011218213 [0,2,0,0,0,0|2,0,0]=4 9882 B13R1.74 CSCSc1ccc(cc1)[C@@H](C)N 62a_100011218213_100000720352 [0,2,0,0,0,0|2,0,0]=4 9883 B13R1.74 CSCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100011218213 [0,2,0,0,0,0|2,0,0]=4 9884 B13R1.74 CSCSc1ccc(cc1)[C@H](C)N 62a_100011218213_100000753911 [0,2,0,0,0,0|2,0,0]=4 9885 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCF 62a_100000720352_100011217306 [0,2,0,0,0,0|2,0,0]=4 9886 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCF 62a_100011217306_100000720352 [0,2,0,0,0,0|2,0,0]=4 9887 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCO 62a_100000211926_100000720352 [0,2,0,0,0,0|2,0,0]=4 9888 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCO 62a_100000720352_100000211926 [0,2,0,0,0,0|2,0,0]=4 9889 B13R1.74 C[C@H](N)c1ccc(cc1)OCCF 34a_100161106496_100011217306 [0,2,0,0,0,0|2,0,0]=4 9890 B13R1.74 C[C@H](N)c1ccc(cc1)OCCO 34a_100161106496_100000211926 [0,2,0,0,0,0|2,0,0]=4 9891 B13R1.74 C[C@H](N)c1ccc(cc1)SCCF 62a_100000753911_100011217306 [0,2,0,0,0,0|2,0,0]=4 9892 B13R1.74 C[C@H](N)c1ccc(cc1)SCCF 62a_100011217306_100000753911 [0,2,0,0,0,0|2,0,0]=4 9893 B13R1.74 C[C@H](N)c1ccc(cc1)SCCO 62a_100000211926_100000753911 [0,2,0,0,0,0|2,0,0]=4 9894 B13R1.74 C[C@H](N)c1ccc(cc1)SCCO 62a_100000753911_100000211926 [0,2,0,0,0,0|2,0,0]=4 9895 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 34a_100010188728_100011217306 [0,2,0,0,0,0|1,1,0]=4 9896 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 7a_100010188728_100011217306 [0,2,0,0,0,0|1,1,0]=4 9897 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 34a_100010188728_100000211926 [0,2,0,0,0,0|1,1,0]=4 9898 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 7a_100010188728_100000211926 [0,2,0,0,0,0|1,1,0]=4 9899 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|2,0,0]=4 9900 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|2,0,0]=4 9901 B13R1.74 [13CH3]NCCc1ccc(cc1)C(=O)O 269956a_100000704756_200025704644 [0,2,0,0,0,0|2,0,0]=4 9902 B13R1.74 [13CH3]NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200025704644 [0,2,0,0,0,0|2,0,0]=4 9903 B13R1.74 [13CH3]NCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200025704644 [0,2,0,0,0,0|2,0,0]=4 9904 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200025704644 [0,2,0,0,0,0|2,0,0]=4 9905 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200025704644 [0,2,0,0,0,0|2,0,0]=4 9906 B13R1.74 [13CH3]SCCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000736421 [0,2,0,0,0,0|2,0,0]=4 9907 B13R1.75 C#CCNc1ccc(cc1Br)OC 34a_100015195136_100000184674 [0,2,0,0,0,0|0,0,2]=4 9908 B13R1.75 C#CCNc1ccc(cc1C)OC 34a_100000750285_100000184674 [0,2,0,0,0,0|0,0,2]=4 9909 B13R1.75 C#CCNc1ccc(cc1Cl)OC 34a_100000747055_100000184674 [0,2,0,0,0,0|0,0,2]=4 9910 B13R1.75 C#CCNc1ccc(cc1F)OC 34a_100011299463_100000184674 [0,2,0,0,0,0|0,0,2]=4 9911 B13R1.75 C#CCNc1ccc(cc1I)OC 34a_100000049804_100000184674 [0,2,0,0,0,0|0,0,2]=4 9912 B13R1.75 C#CCNc1ccc(cc1O)OC 34a_100016989039_100000184674 [0,2,0,0,0,0|0,0,2]=4 9913 B13R1.75 C#CCOc1ccc(cc1Br)OC 34a_100000685887_100000184674 [0,2,0,0,0,0|0,0,2]=4 9914 B13R1.75 C#CCOc1ccc(cc1Br)OC 7a_100000685887_100000038162 [0,2,0,0,0,0|0,0,2]=4 9915 B13R1.75 C#CCOc1ccc(cc1C)OC 34a_100012002223_100000184674 [0,2,0,0,0,0|0,0,2]=4 9916 B13R1.75 C#CCOc1ccc(cc1C)OC 7a_100012002223_100000038162 [0,2,0,0,0,0|0,0,2]=4 9917 B13R1.75 C#CCOc1ccc(cc1Cl)OC 34a_100000038596_100000184674 [0,2,0,0,0,0|0,0,2]=4 9918 B13R1.75 C#CCOc1ccc(cc1Cl)OC 7a_100000038596_100000038162 [0,2,0,0,0,0|0,0,2]=4 9919 B13R1.75 C#CCOc1ccc(cc1F)OC 34a_100000036999_100000184674 [0,2,0,0,0,0|0,0,2]=4 9920 B13R1.75 C#CCOc1ccc(cc1F)OC 7a_100000036999_100000038162 [0,2,0,0,0,0|0,0,2]=4 9921 B13R1.75 C#CCOc1ccc(cc1N)OC 34a_100000188146_100000184674 [0,2,0,0,0,0|0,0,2]=4 9922 B13R1.75 C#CCSc1ccc(cc1Br)OC 62a_100000038162_100012349170 [0,2,0,0,0,0|0,0,2]=4 9923 B13R1.75 C#CCSc1ccc(cc1C)OC 62a_100000038162_100000759875 [0,2,0,0,0,0|0,0,2]=4 9924 B13R1.75 C#CCSc1ccc(cc1F)OC 62a_100000038162_100000753793 [0,2,0,0,0,0|0,0,2]=4 9925 B13R1.75 C#CCSc1ccc(cc1N)OC 62a_100000038162_100000748021 [0,2,0,0,0,0|0,0,2]=4 9926 B13R1.75 C#CCSc1ccc(cc1O)OC 62a_100000038162_100000719091 [0,2,0,0,0,0|0,0,2]=4 9927 B13R1.75 C=CCNc1ccc(cc1Br)OC 34a_100015195136_100015514636 [0,2,0,0,0,0|0,0,2]=4 9928 B13R1.75 C=CCNc1ccc(cc1C)OC 34a_100000750285_100015514636 [0,2,0,0,0,0|0,0,2]=4 9929 B13R1.75 C=CCNc1ccc(cc1Cl)OC 34a_100000747055_100015514636 [0,2,0,0,0,0|0,0,2]=4 9930 B13R1.75 C=CCNc1ccc(cc1F)OC 34a_100011299463_100015514636 [0,2,0,0,0,0|0,0,2]=4 9931 B13R1.75 C=CCNc1ccc(cc1I)OC 34a_100000049804_100015514636 [0,2,0,0,0,0|0,0,2]=4 9932 B13R1.75 C=CCNc1ccc(cc1O)OC 34a_100016989039_100015514636 [0,2,0,0,0,0|0,0,2]=4 9933 B13R1.75 C=CCOc1ccc(cc1Br)OC 34a_100000685887_100015514636 [0,2,0,0,0,0|0,0,2]=4 9934 B13R1.75 C=CCOc1ccc(cc1Br)OC 7a_100000685887_100015514636 [0,2,0,0,0,0|0,0,2]=4 9935 B13R1.75 C=CCOc1ccc(cc1C)OC 34a_100012002223_100015514636 [0,2,0,0,0,0|0,0,2]=4 9936 B13R1.75 C=CCOc1ccc(cc1C)OC 7a_100012002223_100015514636 [0,2,0,0,0,0|0,0,2]=4 9937 B13R1.75 C=CCOc1ccc(cc1Cl)OC 34a_100000038596_100015514636 [0,2,0,0,0,0|0,0,2]=4 9938 B13R1.75 C=CCOc1ccc(cc1Cl)OC 7a_100000038596_100015514636 [0,2,0,0,0,0|0,0,2]=4 9939 B13R1.75 C=CCOc1ccc(cc1F)OC 34a_100000036999_100015514636 [0,2,0,0,0,0|0,0,2]=4 9940 B13R1.75 C=CCOc1ccc(cc1F)OC 7a_100000036999_100015514636 [0,2,0,0,0,0|0,0,2]=4 9941 B13R1.75 C=CCOc1ccc(cc1N)OC 34a_100000188146_100015514636 [0,2,0,0,0,0|0,0,2]=4 9942 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100000210623_100012349170 [0,2,0,0,0,0|0,0,2]=4 9943 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100012349170_100000210623 [0,2,0,0,0,0|0,0,2]=4 9944 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000210623_100000759875 [0,2,0,0,0,0|0,0,2]=4 9945 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000759875_100000210623 [0,2,0,0,0,0|0,0,2]=4 9946 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000210623_100000753793 [0,2,0,0,0,0|0,0,2]=4 9947 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000753793_100000210623 [0,2,0,0,0,0|0,0,2]=4 9948 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000210623_100000748021 [0,2,0,0,0,0|0,0,2]=4 9949 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000748021_100000210623 [0,2,0,0,0,0|0,0,2]=4 9950 B13R1.75 C=CCSc1ccc(cc1O)OC 62a_100000210623_100000719091 [0,2,0,0,0,0|0,0,2]=4 9951 B13R1.75 CC=NNc1ccc(cc1C)OC 4a_115082355441_200000210099 [0,2,0,0,0,0|1,0,1]=4 9952 B13R1.75 CC=NNc1ccc(cc1F)OC 4a_100015191252_200000210099 [0,2,0,0,0,0|1,0,1]=4 9953 B13R1.75 CCCCc1ccc(cc1Br)C#N 271570a_100020621405_100012356348 [0,2,0,0,0,0|2,0,0]=4 9954 B13R1.75 CCCCc1ccc(cc1Br)CC 271570a_100020621405_200009997437 [0,2,0,0,0,0|1,0,0]=3 9955 B13R1.75 CCCCc1ccc(cc1Br)OC 271570a_100020621405_100012349170 [0,2,0,0,0,0|0,0,0]=2 9956 B13R1.75 CCCCc1ccc(cc1C)C#N 271570a_100020621405_100000212329 [0,2,0,0,0,0|2,0,0]=4 9957 B13R1.75 CCCCc1ccc(cc1C)C=O 271570a_100020621405_100000765772 [0,2,0,0,0,0|2,0,0]=4 9958 B13R1.75 CCCCc1ccc(cc1C)CN 271570a_100020621405_100015205234 [0,2,0,0,0,0|2,0,0]=4 9959 B13R1.75 CCCCc1ccc(cc1C)CO 271570a_100020621405_100000718852 [0,2,0,0,0,0|2,0,0]=4 9960 B13R1.75 CCCCc1ccc(cc1C)NC 271570a_100020621405_100102888905 [0,2,0,0,0,0|1,0,0]=3 9961 B13R1.75 CCCCc1ccc(cc1C)NN 271570a_100020621405_100000745493 [0,2,0,0,0,0|2,0,0]=4 9962 B13R1.75 CCCCc1ccc(cc1C)OC 271570a_100020621405_100000759875 [0,2,0,0,0,0|0,0,0]=2 9963 B13R1.75 CCCCc1ccc(cc1Cl)C#N 271570a_100020621405_100012349663 [0,2,0,0,0,0|2,0,0]=4 9964 B13R1.75 CCCCc1ccc(cc1Cl)CO 271570a_100020621405_100000718186 [0,2,0,0,0,0|2,0,0]=4 9965 B13R1.75 CCCCc1ccc(cc1F)C#N 271570a_100020621405_100011794375 [0,2,0,0,0,0|2,0,0]=4 9966 B13R1.75 CCCCc1ccc(cc1F)C=O 271570a_100020621405_100000686674 [0,2,0,0,0,0|2,0,0]=4 9967 B13R1.75 CCCCc1ccc(cc1F)CC 271570a_100020621405_200010339503 [0,2,0,0,0,0|1,0,0]=3 9968 B13R1.75 CCCCc1ccc(cc1F)CN 271570a_100020621405_100000755036 [0,2,0,0,0,0|2,0,0]=4 9969 B13R1.75 CCCCc1ccc(cc1F)CO 271570a_100020621405_100011533735 [0,2,0,0,0,0|2,0,0]=4 9970 B13R1.75 CCCCc1ccc(cc1F)NC 271570a_100020621405_100012285320 [0,2,0,0,0,0|1,0,0]=3 9971 B13R1.75 CCCCc1ccc(cc1F)NN 271570a_100020621405_100016992936 [0,2,0,0,0,0|2,0,0]=4 9972 B13R1.75 CCCCc1ccc(cc1F)OC 271570a_100020621405_100000753793 [0,2,0,0,0,0|0,0,0]=2 9973 B13R1.75 CCCCc1ccc(cc1F)SC 271570a_100020621405_100009816902 [0,2,0,0,0,0|0,1,0]=3 9974 B13R1.75 CCCCc1ccc(cc1N)C#N 271570a_100020621405_100012001879 [0,2,0,0,0,0|2,0,0]=4 9975 B13R1.75 CCCCc1ccc(cc1N)CO 271570a_100020621405_100012347568 [0,2,0,0,0,0|2,0,0]=4 9976 B13R1.75 CCCCc1ccc(cc1N)OC 271570a_100020621405_100000748021 [0,2,0,0,0,0|0,0,0]=2 9977 B13R1.75 CCCCc1ccc(cc1O)C#N 271570a_100020621405_100000724445 [0,2,0,0,0,0|2,0,0]=4 9978 B13R1.75 CCCCc1ccc(cc1O)C=O 271570a_100020621405_100000041418 [0,2,0,0,0,0|2,0,0]=4 9979 B13R1.75 CCCCc1ccc(cc1O)CO 271570a_100020621405_100000049605 [0,2,0,0,0,0|2,0,0]=4 9980 B13R1.75 CCCCc1ccc(cc1O)OC 271570a_100020621405_100000719091 [0,2,0,0,0,0|0,0,0]=2 9981 B13R1.75 CCCCc1ccc(nc1C)OC 271570a_100020621405_100000766551 [0,2,0,0,0,0|1,0,0]=3 9982 B13R1.75 CCCCc1ccc(nc1F)OC 271570a_100020621405_100010067559 [0,2,0,0,0,0|1,0,0]=3 9983 B13R1.75 CCCCc1ccc(nc1N)OC 271570a_100020621405_100010187629 [0,2,0,0,0,0|1,0,0]=3 9984 B13R1.75 CCCCc1cnc(cc1C)NC 271570a_100020621405_100012352278 [0,2,0,0,0,0|2,0,0]=4 9985 B13R1.75 CCCCc1cnc(cc1C)OC 271570a_100020621405_100011934368 [0,2,0,0,0,0|1,0,0]=3 9986 B13R1.75 CCCCc1cnc(cc1F)OC 271570a_100020621405_100010136277 [0,2,0,0,0,0|1,0,0]=3 9987 B13R1.75 CCCCc1cnc(cc1N)OC 271570a_100020621405_100010254562 [0,2,0,0,0,0|1,0,0]=3 9988 B13R1.75 CCCCc1cnc(cc1O)OC 271570a_100020621405_100010738159 [0,2,0,0,0,0|1,0,0]=3 9989 B13R1.75 CCCCc1cnc(nc1C)OC 271570a_100020621405_100010152497 [0,2,0,0,0,0|2,0,0]=4 9990 B13R1.75 CCCCc1cnc(nc1N)OC 271570a_100020621405_100010218985 [0,2,0,0,0,0|2,0,0]=4 9991 B13R1.75 CCCCc1ncc(cc1C)OC 271570a_100020621405_200009851512 [0,2,0,0,0,0|1,0,0]=3 9992 B13R1.75 CCCCc1ncc(cc1C)SC 271570a_100020621405_203440288091 [0,2,0,0,0,0|1,1,0]=4 9993 B13R1.75 CCCCc1ncc(cc1F)SC 271570a_100020621405_100010884644 [0,2,0,0,0,0|1,1,0]=4 9994 B13R1.75 CCCCc1ncc(cc1N)OC 271570a_100020621405_100010074831 [0,2,0,0,0,0|1,0,0]=3 9995 B13R1.75 CCCCc1ncc(nc1C)OC 271570a_100020621405_200010730098 [0,2,0,0,0,0|2,0,0]=4 9996 B13R1.75 CCCCc1ncc(nc1N)OC 271570a_100020621405_100009955223 [0,2,0,0,0,0|2,0,0]=4 9997 B13R1.75 CCCNc1ccc(cc1Br)C#N 34a_100000736769_100000210303 [0,2,0,0,0,0|2,0,0]=4 9998 B13R1.75 CCCNc1ccc(cc1Br)C#N 7a_100000736769_100000210303 [0,2,0,0,0,0|2,0,0]=4 9999 B13R1.75 CCCNc1ccc(cc1Br)CC 2230a_100012339725_100000210303 [0,2,0,0,0,0|1,0,0]=3 10000 B13R1.75 CCCNc1ccc(cc1Br)CC 34a_100012339725_100000210303 [0,2,0,0,0,0|1,0,0]=3 10001 B13R1.75 CCCNc1ccc(cc1Br)OC 34a_100015195136_100000210303 [0,2,0,0,0,0|0,0,0]=2 10002 B13R1.75 CCCNc1ccc(cc1C)C#N 34a_100011216260_100000210303 [0,2,0,0,0,0|2,0,0]=4 10003 B13R1.75 CCCNc1ccc(cc1C)C#N 7a_100011216260_100000210303 [0,2,0,0,0,0|2,0,0]=4 10004 B13R1.75 CCCNc1ccc(cc1C)CC 2230a_100011226020_100000210303 [0,2,0,0,0,0|1,0,0]=3 10005 B13R1.75 CCCNc1ccc(cc1C)CC 34a_100011226020_100000210303 [0,2,0,0,0,0|1,0,0]=3 10006 B13R1.75 CCCNc1ccc(cc1C)CC 7a_100011226020_100000210303 [0,2,0,0,0,0|1,0,0]=3 10007 B13R1.75 CCCNc1ccc(cc1C)CO 2230a_200011997030_100000210303 [0,2,0,0,0,0|2,0,0]=4 10008 B13R1.75 CCCNc1ccc(cc1C)CO 34a_200011997030_100000210303 [0,2,0,0,0,0|2,0,0]=4 10009 B13R1.75 CCCNc1ccc(cc1C)OC 34a_100000750285_100000210303 [0,2,0,0,0,0|0,0,0]=2 10010 B13R1.75 CCCNc1ccc(cc1Cl)C#N 34a_100000690208_100000210303 [0,2,0,0,0,0|2,0,0]=4 10011 B13R1.75 CCCNc1ccc(cc1Cl)C#N 7a_100000690208_100000210303 [0,2,0,0,0,0|2,0,0]=4 10012 B13R1.75 CCCNc1ccc(cc1Cl)OC 34a_100000747055_100000210303 [0,2,0,0,0,0|0,0,0]=2 10013 B13R1.75 CCCNc1ccc(cc1F)C#N 34a_100000760432_100000210303 [0,2,0,0,0,0|2,0,0]=4 10014 B13R1.75 CCCNc1ccc(cc1F)C#N 7a_100000760432_100000210303 [0,2,0,0,0,0|2,0,0]=4 10015 B13R1.75 CCCNc1ccc(cc1F)CC 2230a_100016177294_100000210303 [0,2,0,0,0,0|1,0,0]=3 10016 B13R1.75 CCCNc1ccc(cc1F)CC 34a_100016177294_100000210303 [0,2,0,0,0,0|1,0,0]=3 10017 B13R1.75 CCCNc1ccc(cc1F)CO 2230a_100011217239_100000210303 [0,2,0,0,0,0|2,0,0]=4 10018 B13R1.75 CCCNc1ccc(cc1F)CO 34a_100011217239_100000210303 [0,2,0,0,0,0|2,0,0]=4 10019 B13R1.75 CCCNc1ccc(cc1F)OC 34a_100011299463_100000210303 [0,2,0,0,0,0|0,0,0]=2 10020 B13R1.75 CCCNc1ccc(cc1F)SC 34a_100012056844_100000210303 [0,2,0,0,0,0|0,1,0]=3 10021 B13R1.75 CCCNc1ccc(cc1I)C#N 7a_100000067503_100000210303 [0,2,0,0,0,0|2,0,0]=4 10022 B13R1.75 CCCNc1ccc(cc1I)OC 34a_100000049804_100000210303 [0,2,0,0,0,0|0,0,0]=2 10023 B13R1.75 CCCNc1ccc(cc1O)C#N 34a_100011997735_100000210303 [0,2,0,0,0,0|2,0,0]=4 10024 B13R1.75 CCCNc1ccc(cc1O)CC 34a_100000124328_100000210303 [0,2,0,0,0,0|1,0,0]=3 10025 B13R1.75 CCCNc1ccc(cc1O)OC 34a_100016989039_100000210303 [0,2,0,0,0,0|0,0,0]=2 10026 B13R1.75 CCCOc1ccc(cc1Br)C#N 34a_100011216086_100000210303 [0,2,0,0,0,0|2,0,0]=4 10027 B13R1.75 CCCOc1ccc(cc1Br)C#N 7a_100011216086_100000210303 [0,2,0,0,0,0|2,0,0]=4 10028 B13R1.75 CCCOc1ccc(cc1Br)CC 34a_100012339963_100000210303 [0,2,0,0,0,0|1,0,0]=3 10029 B13R1.75 CCCOc1ccc(cc1Br)CC 7a_100012339963_100000210303 [0,2,0,0,0,0|1,0,0]=3 10030 B13R1.75 CCCOc1ccc(cc1Br)CO 34a_100011191544_100000210303 [0,2,0,0,0,0|2,0,0]=4 10031 B13R1.75 CCCOc1ccc(cc1Br)CO 7a_100011191544_100000210303 [0,2,0,0,0,0|2,0,0]=4 10032 B13R1.75 CCCOc1ccc(cc1Br)OC 34a_100000685887_100000210303 [0,2,0,0,0,0|0,0,0]=2 10033 B13R1.75 CCCOc1ccc(cc1Br)OC 7a_100000685887_100000210303 [0,2,0,0,0,0|0,0,0]=2 10034 B13R1.75 CCCOc1ccc(cc1C)C#N 34a_100000749339_100000210303 [0,2,0,0,0,0|2,0,0]=4 10035 B13R1.75 CCCOc1ccc(cc1C)C#N 7a_100000749339_100000210303 [0,2,0,0,0,0|2,0,0]=4 10036 B13R1.75 CCCOc1ccc(cc1C)CO 34a_100000075815_100000210303 [0,2,0,0,0,0|2,0,0]=4 10037 B13R1.75 CCCOc1ccc(cc1C)CO 7a_100000075815_100000210303 [0,2,0,0,0,0|2,0,0]=4 10038 B13R1.75 CCCOc1ccc(cc1C)OC 34a_100012002223_100000210303 [0,2,0,0,0,0|0,0,0]=2 10039 B13R1.75 CCCOc1ccc(cc1C)OC 7a_100012002223_100000210303 [0,2,0,0,0,0|0,0,0]=2 10040 B13R1.75 CCCOc1ccc(cc1Cl)C#N 34a_100000205955_100000210303 [0,2,0,0,0,0|2,0,0]=4 10041 B13R1.75 CCCOc1ccc(cc1Cl)C#N 7a_100000205955_100000210303 [0,2,0,0,0,0|2,0,0]=4 10042 B13R1.75 CCCOc1ccc(cc1Cl)NC 34a_100000742593_200000210301 [0,2,0,0,0,0|1,0,0]=3 10043 B13R1.75 CCCOc1ccc(cc1Cl)NC 7a_100000742593_200000210301 [0,2,0,0,0,0|1,0,0]=3 10044 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 34a_100000742593_200025704644 [0,2,0,0,0,0|1,0,0]=3 10045 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 7a_100000742593_200025704644 [0,2,0,0,0,0|1,0,0]=3 10046 B13R1.75 CCCOc1ccc(cc1Cl)OC 34a_100000038596_100000210303 [0,2,0,0,0,0|0,0,0]=2 10047 B13R1.75 CCCOc1ccc(cc1Cl)OC 7a_100000038596_100000210303 [0,2,0,0,0,0|0,0,0]=2 10048 B13R1.75 CCCOc1ccc(cc1F)C#N 34a_100000751310_100000210303 [0,2,0,0,0,0|2,0,0]=4 10049 B13R1.75 CCCOc1ccc(cc1F)C#N 7a_100000751310_100000210303 [0,2,0,0,0,0|2,0,0]=4 10050 B13R1.75 CCCOc1ccc(cc1F)CN 34a_100000758358_100000210303 [0,2,0,0,0,0|2,0,0]=4 10051 B13R1.75 CCCOc1ccc(cc1F)OC 34a_100000036999_100000210303 [0,2,0,0,0,0|0,0,0]=2 10052 B13R1.75 CCCOc1ccc(cc1F)OC 7a_100000036999_100000210303 [0,2,0,0,0,0|0,0,0]=2 10053 B13R1.75 CCCOc1ccc(cc1I)C#N 34a_100000725478_100000210303 [0,2,0,0,0,0|2,0,0]=4 10054 B13R1.75 CCCOc1ccc(cc1I)C#N 7a_100000725478_100000210303 [0,2,0,0,0,0|2,0,0]=4 10055 B13R1.75 CCCOc1ccc(cc1N)C#N 34a_100000766272_100000210303 [0,2,0,0,0,0|2,0,0]=4 10056 B13R1.75 CCCOc1ccc(cc1N)C#N 7a_100000766272_100000210303 [0,2,0,0,0,0|2,0,0]=4 10057 B13R1.75 CCCOc1ccc(cc1N)CC 34a_100000765835_100000210303 [0,2,0,0,0,0|1,0,0]=3 10058 B13R1.75 CCCOc1ccc(cc1N)CC 7a_100000765835_100000210303 [0,2,0,0,0,0|1,0,0]=3 10059 B13R1.75 CCCOc1ccc(cc1N)CO 34a_100000123545_100000210303 [0,2,0,0,0,0|2,0,0]=4 10060 B13R1.75 CCCOc1ccc(cc1N)OC 34a_100000188146_100000210303 [0,2,0,0,0,0|0,0,0]=2 10061 B13R1.75 CCCOc1ccc(cc1O)C=O 271570a_203496583355_100000173362 [0,2,0,0,0,0|2,0,0]=4 10062 B13R1.75 CCCOc1ccc(nc1C)OC 34a_200009873766_100000210303 [0,2,0,0,0,0|1,0,0]=3 10063 B13R1.75 CCCOc1ncc(cc1C)SC 62a_200000210301_200012348856 [0,2,0,0,0,0|1,1,0]=4 10064 B13R1.75 CCCOc1ncc(cc1C)SC 62a_200012348856_200000210301 [0,2,0,0,0,0|1,1,0]=4 10065 B13R1.75 CCCOc1ncc(cc1C)S[13CH3] 62a_200012348856_200025704644 [0,2,0,0,0,0|1,1,0]=4 10066 B13R1.75 CCCOc1ncc(cc1C)S[13CH3] 62a_200025704644_200012348856 [0,2,0,0,0,0|1,1,0]=4 10067 B13R1.75 CCCSc1ccc(cc1Br)C#N 62a_100000210303_100012356348 [0,2,0,0,0,0|2,0,0]=4 10068 B13R1.75 CCCSc1ccc(cc1Br)CC 62a_100000210303_200009997437 [0,2,0,0,0,0|1,0,0]=3 10069 B13R1.75 CCCSc1ccc(cc1Br)CC 62a_200009997437_100000210303 [0,2,0,0,0,0|1,0,0]=3 10070 B13R1.75 CCCSc1ccc(cc1Br)OC 62a_100000210303_100012349170 [0,2,0,0,0,0|0,0,0]=2 10071 B13R1.75 CCCSc1ccc(cc1Br)OC 62a_100012349170_100000210303 [0,2,0,0,0,0|0,0,0]=2 10072 B13R1.75 CCCSc1ccc(cc1C)C#N 62a_100000210303_100000212329 [0,2,0,0,0,0|2,0,0]=4 10073 B13R1.75 CCCSc1ccc(cc1C)C=O 62a_100000210303_100000765772 [0,2,0,0,0,0|2,0,0]=4 10074 B13R1.75 CCCSc1ccc(cc1C)C=O 62a_100000765772_100000210303 [0,2,0,0,0,0|2,0,0]=4 10075 B13R1.75 CCCSc1ccc(cc1C)CN 62a_100000210303_100015205234 [0,2,0,0,0,0|2,0,0]=4 10076 B13R1.75 CCCSc1ccc(cc1C)CN 62a_100015205234_100000210303 [0,2,0,0,0,0|2,0,0]=4 10077 B13R1.75 CCCSc1ccc(cc1C)CO 62a_100000210303_100000718852 [0,2,0,0,0,0|2,0,0]=4 10078 B13R1.75 CCCSc1ccc(cc1C)CO 62a_100000718852_100000210303 [0,2,0,0,0,0|2,0,0]=4 10079 B13R1.75 CCCSc1ccc(cc1C)NC 62a_100000210303_100102888905 [0,2,0,0,0,0|1,0,0]=3 10080 B13R1.75 CCCSc1ccc(cc1C)NC 62a_100102888905_100000210303 [0,2,0,0,0,0|1,0,0]=3 10081 B13R1.75 CCCSc1ccc(cc1C)NN 62a_100000210303_100000745493 [0,2,0,0,0,0|2,0,0]=4 10082 B13R1.75 CCCSc1ccc(cc1C)NN 62a_100000745493_100000210303 [0,2,0,0,0,0|2,0,0]=4 10083 B13R1.75 CCCSc1ccc(cc1C)OC 62a_100000210303_100000759875 [0,2,0,0,0,0|0,0,0]=2 10084 B13R1.75 CCCSc1ccc(cc1C)OC 62a_100000759875_100000210303 [0,2,0,0,0,0|0,0,0]=2 10085 B13R1.75 CCCSc1ccc(cc1Cl)C#N 62a_100000210303_100012349663 [0,2,0,0,0,0|2,0,0]=4 10086 B13R1.75 CCCSc1ccc(cc1Cl)CO 62a_100000210303_100000718186 [0,2,0,0,0,0|2,0,0]=4 10087 B13R1.75 CCCSc1ccc(cc1Cl)CO 62a_100000718186_100000210303 [0,2,0,0,0,0|2,0,0]=4 10088 B13R1.75 CCCSc1ccc(cc1F)C#N 62a_100000210303_100000050172 [0,2,0,0,0,0|2,0,0]=4 10089 B13R1.75 CCCSc1ccc(cc1F)C=O 62a_100000210303_100000686674 [0,2,0,0,0,0|2,0,0]=4 10090 B13R1.75 CCCSc1ccc(cc1F)C=O 62a_100000686674_100000210303 [0,2,0,0,0,0|2,0,0]=4 10091 B13R1.75 CCCSc1ccc(cc1F)CC 62a_100000210303_200010339503 [0,2,0,0,0,0|1,0,0]=3 10092 B13R1.75 CCCSc1ccc(cc1F)CC 62a_200010339503_100000210303 [0,2,0,0,0,0|1,0,0]=3 10093 B13R1.75 CCCSc1ccc(cc1F)CN 62a_100000210303_100000755036 [0,2,0,0,0,0|2,0,0]=4 10094 B13R1.75 CCCSc1ccc(cc1F)CN 62a_100000755036_100000210303 [0,2,0,0,0,0|2,0,0]=4 10095 B13R1.75 CCCSc1ccc(cc1F)CO 62a_100000210303_100011533735 [0,2,0,0,0,0|2,0,0]=4 10096 B13R1.75 CCCSc1ccc(cc1F)CO 62a_100011533735_100000210303 [0,2,0,0,0,0|2,0,0]=4 10097 B13R1.75 CCCSc1ccc(cc1F)NC 62a_100000210303_100012285320 [0,2,0,0,0,0|1,0,0]=3 10098 B13R1.75 CCCSc1ccc(cc1F)NC 62a_100012285320_100000210303 [0,2,0,0,0,0|1,0,0]=3 10099 B13R1.75 CCCSc1ccc(cc1F)NN 62a_100000210303_100016992936 [0,2,0,0,0,0|2,0,0]=4 10100 B13R1.75 CCCSc1ccc(cc1F)NN 62a_100016992936_100000210303 [0,2,0,0,0,0|2,0,0]=4 10101 B13R1.75 CCCSc1ccc(cc1F)OC 62a_100000210303_100000753793 [0,2,0,0,0,0|0,0,0]=2 10102 B13R1.75 CCCSc1ccc(cc1F)OC 62a_100000753793_100000210303 [0,2,0,0,0,0|0,0,0]=2 10103 B13R1.75 CCCSc1ccc(cc1F)SC 62a_100000210303_100009816902 [0,2,0,0,0,0|0,1,0]=3 10104 B13R1.75 CCCSc1ccc(cc1F)SC 62a_100009816902_100000210303 [0,2,0,0,0,0|0,1,0]=3 10105 B13R1.75 CCCSc1ccc(cc1N)C#N 62a_100000210303_100012001879 [0,2,0,0,0,0|2,0,0]=4 10106 B13R1.75 CCCSc1ccc(cc1N)CO 62a_100000210303_100012347568 [0,2,0,0,0,0|2,0,0]=4 10107 B13R1.75 CCCSc1ccc(cc1N)CO 62a_100012347568_100000210303 [0,2,0,0,0,0|2,0,0]=4 10108 B13R1.75 CCCSc1ccc(cc1N)OC 62a_100000210303_100000748021 [0,2,0,0,0,0|0,0,0]=2 10109 B13R1.75 CCCSc1ccc(cc1N)OC 62a_100000748021_100000210303 [0,2,0,0,0,0|0,0,0]=2 10110 B13R1.75 CCCSc1ccc(cc1O)C#N 62a_100000210303_100009877741 [0,2,0,0,0,0|2,0,0]=4 10111 B13R1.75 CCCSc1ccc(cc1O)C=O 62a_100000041418_100000210303 [0,2,0,0,0,0|2,0,0]=4 10112 B13R1.75 CCCSc1ccc(cc1O)C=O 62a_100000210303_100000041418 [0,2,0,0,0,0|2,0,0]=4 10113 B13R1.75 CCCSc1ccc(cc1O)CO 62a_100000049605_100000210303 [0,2,0,0,0,0|2,0,0]=4 10114 B13R1.75 CCCSc1ccc(cc1O)CO 62a_100000210303_100000049605 [0,2,0,0,0,0|2,0,0]=4 10115 B13R1.75 CCCSc1ccc(cc1O)OC 62a_100000210303_100000719091 [0,2,0,0,0,0|0,0,0]=2 10116 B13R1.75 CCCSc1ccc(nc1C)OC 62a_100000210303_100000766551 [0,2,0,0,0,0|1,0,0]=3 10117 B13R1.75 CCCSc1ccc(nc1C)OC 62a_100000766551_100000210303 [0,2,0,0,0,0|1,0,0]=3 10118 B13R1.75 CCCSc1ccc(nc1F)OC 62a_100000210303_100010067559 [0,2,0,0,0,0|1,0,0]=3 10119 B13R1.75 CCCSc1ccc(nc1F)OC 62a_100010067559_100000210303 [0,2,0,0,0,0|1,0,0]=3 10120 B13R1.75 CCCSc1ccc(nc1N)OC 62a_100010187629_100000210303 [0,2,0,0,0,0|1,0,0]=3 10121 B13R1.75 CCCSc1cnc(cc1C)NC 62a_100000210303_100012352278 [0,2,0,0,0,0|2,0,0]=4 10122 B13R1.75 CCCSc1cnc(cc1C)NC 62a_100012352278_100000210303 [0,2,0,0,0,0|2,0,0]=4 10123 B13R1.75 CCCSc1cnc(cc1C)OC 62a_100000210303_100011934368 [0,2,0,0,0,0|1,0,0]=3 10124 B13R1.75 CCCSc1cnc(cc1C)OC 62a_100011934368_100000210303 [0,2,0,0,0,0|1,0,0]=3 10125 B13R1.75 CCCSc1cnc(cc1F)OC 62a_100000210303_100010136277 [0,2,0,0,0,0|1,0,0]=3 10126 B13R1.75 CCCSc1cnc(cc1F)OC 62a_100010136277_100000210303 [0,2,0,0,0,0|1,0,0]=3 10127 B13R1.75 CCCSc1cnc(cc1N)OC 62a_100000210303_100010254562 [0,2,0,0,0,0|1,0,0]=3 10128 B13R1.75 CCCSc1cnc(cc1N)OC 62a_100010254562_100000210303 [0,2,0,0,0,0|1,0,0]=3 10129 B13R1.75 CCCSc1cnc(cc1O)OC 62a_100000210303_100010738159 [0,2,0,0,0,0|1,0,0]=3 10130 B13R1.75 CCCSc1cnc(cc1O)OC 62a_100010738159_100000210303 [0,2,0,0,0,0|1,0,0]=3 10131 B13R1.75 CCCSc1cnc(nc1C)OC 62a_100000210303_100010152497 [0,2,0,0,0,0|2,0,0]=4 10132 B13R1.75 CCCSc1cnc(nc1C)OC 62a_100010152497_100000210303 [0,2,0,0,0,0|2,0,0]=4 10133 B13R1.75 CCCSc1cnc(nc1N)OC 62a_100000210303_100010218985 [0,2,0,0,0,0|2,0,0]=4 10134 B13R1.75 CCCSc1cnc(nc1N)OC 62a_100010218985_100000210303 [0,2,0,0,0,0|2,0,0]=4 10135 B13R1.75 CCCSc1ncc(cc1C)OC 62a_100000210303_200009851512 [0,2,0,0,0,0|1,0,0]=3 10136 B13R1.75 CCCSc1ncc(cc1C)SC 62a_100000210303_203440288091 [0,2,0,0,0,0|1,1,0]=4 10137 B13R1.75 CCCSc1ncc(cc1C)SC 62a_203440288091_100000210303 [0,2,0,0,0,0|1,1,0]=4 10138 B13R1.75 CCCSc1ncc(cc1F)SC 62a_100000210303_100010884644 [0,2,0,0,0,0|1,1,0]=4 10139 B13R1.75 CCCSc1ncc(cc1F)SC 62a_100010884644_100000210303 [0,2,0,0,0,0|1,1,0]=4 10140 B13R1.75 CCCSc1ncc(cc1N)OC 62a_100000210303_100010074831 [0,2,0,0,0,0|1,0,0]=3 10141 B13R1.75 CCCSc1ncc(cc1N)OC 62a_100010074831_100000210303 [0,2,0,0,0,0|1,0,0]=3 10142 B13R1.75 CCCSc1ncc(nc1C)OC 62a_100000210303_200010730098 [0,2,0,0,0,0|2,0,0]=4 10143 B13R1.75 CCCSc1ncc(nc1C)OC 62a_200010730098_100000210303 [0,2,0,0,0,0|2,0,0]=4 10144 B13R1.75 CCCSc1ncc(nc1N)OC 62a_100000210303_100009955223 [0,2,0,0,0,0|2,0,0]=4 10145 B13R1.75 CCCSc1ncc(nc1N)OC 62a_100009955223_100000210303 [0,2,0,0,0,0|2,0,0]=4 10146 B13R1.75 CCNCc1ccc(cc1Br)C#N 207a_100015525214_100012355658 [0,2,0,0,0,0|2,0,0]=4 10147 B13R1.75 CCNCc1ccc(cc1Br)C#N 2230a_100015525214_100000694769 [0,2,0,0,0,0|2,0,0]=4 10148 B13R1.75 CCNCc1ccc(cc1Br)C#N 270004a_100015525214_100012355658 [0,2,0,0,0,0|2,0,0]=4 10149 B13R1.75 CCNCc1ccc(cc1Br)C#N 34a_114948178924_100000210202 [0,2,0,0,0,0|2,0,0]=4 10150 B13R1.75 CCNCc1ccc(cc1Br)OC 207a_100015525214_100000723261 [0,2,0,0,0,0|0,0,0]=2 10151 B13R1.75 CCNCc1ccc(cc1Br)OC 2230a_100015525214_100011982828 [0,2,0,0,0,0|0,0,0]=2 10152 B13R1.75 CCNCc1ccc(cc1Br)OC 270004a_100015525214_100000723261 [0,2,0,0,0,0|0,0,0]=2 10153 B13R1.75 CCNCc1ccc(cc1C)C#N 207a_100015525214_100012187669 [0,2,0,0,0,0|2,0,0]=4 10154 B13R1.75 CCNCc1ccc(cc1C)C#N 270004a_100015525214_100012187669 [0,2,0,0,0,0|2,0,0]=4 10155 B13R1.75 CCNCc1ccc(cc1C)CO 207a_100015525214_100015695768 [0,2,0,0,0,0|2,0,0]=4 10156 B13R1.75 CCNCc1ccc(cc1C)CO 270004a_100015525214_100015695768 [0,2,0,0,0,0|2,0,0]=4 10157 B13R1.75 CCNCc1ccc(cc1C)OC 207a_100015525214_100011214997 [0,2,0,0,0,0|0,0,0]=2 10158 B13R1.75 CCNCc1ccc(cc1C)OC 270004a_100015525214_100011214997 [0,2,0,0,0,0|0,0,0]=2 10159 B13R1.75 CCNCc1ccc(cc1Cl)C#N 207a_100015525214_100012001878 [0,2,0,0,0,0|2,0,0]=4 10160 B13R1.75 CCNCc1ccc(cc1Cl)C#N 2230a_100015525214_100000709902 [0,2,0,0,0,0|2,0,0]=4 10161 B13R1.75 CCNCc1ccc(cc1Cl)C#N 270004a_100015525214_100012001878 [0,2,0,0,0,0|2,0,0]=4 10162 B13R1.75 CCNCc1ccc(cc1Cl)OC 207a_100015525214_100000235372 [0,2,0,0,0,0|0,0,0]=2 10163 B13R1.75 CCNCc1ccc(cc1Cl)OC 2230a_100015525214_200011830453 [0,2,0,0,0,0|0,0,0]=2 10164 B13R1.75 CCNCc1ccc(cc1Cl)OC 270004a_100015525214_100000235372 [0,2,0,0,0,0|0,0,0]=2 10165 B13R1.75 CCNCc1ccc(cc1Cl)OC 34a_100138410423_100000210202 [0,2,0,0,0,0|0,0,0]=2 10166 B13R1.75 CCNCc1ccc(cc1F)C#N 207a_100015525214_100000688119 [0,2,0,0,0,0|2,0,0]=4 10167 B13R1.75 CCNCc1ccc(cc1F)C#N 2230a_100015525214_100000239720 [0,2,0,0,0,0|2,0,0]=4 10168 B13R1.75 CCNCc1ccc(cc1F)C#N 270004a_100015525214_100000688119 [0,2,0,0,0,0|2,0,0]=4 10169 B13R1.75 CCNCc1ccc(cc1F)C#N 34a_100000749714_100000210202 [0,2,0,0,0,0|2,0,0]=4 10170 B13R1.75 CCNCc1ccc(cc1F)CC 207a_100015525214_100011156597 [0,2,0,0,0,0|1,0,0]=3 10171 B13R1.75 CCNCc1ccc(cc1F)CC 270004a_100015525214_100011156597 [0,2,0,0,0,0|1,0,0]=3 10172 B13R1.75 CCNCc1ccc(cc1F)OC 207a_100015525214_100011216087 [0,2,0,0,0,0|0,0,0]=2 10173 B13R1.75 CCNCc1ccc(cc1F)OC 2230a_100015525214_100011260761 [0,2,0,0,0,0|0,0,0]=2 10174 B13R1.75 CCNCc1ccc(cc1F)OC 270004a_100015525214_100011216087 [0,2,0,0,0,0|0,0,0]=2 10175 B13R1.75 CCNCc1ccc(cc1F)OC 34a_100000687396_100000210202 [0,2,0,0,0,0|0,0,0]=2 10176 B13R1.75 CCNCc1ccc(cc1I)C#N 2230a_100015525214_100010079267 [0,2,0,0,0,0|2,0,0]=4 10177 B13R1.75 CCNCc1ccc(cc1I)OC 207a_100015525214_100010159643 [0,2,0,0,0,0|0,0,0]=2 10178 B13R1.75 CCNCc1ccc(cc1I)OC 270004a_100015525214_100010159643 [0,2,0,0,0,0|0,0,0]=2 10179 B13R1.75 CCNCc1ccc(nc1C)OC 207a_100015525214_100000101190 [0,2,0,0,0,0|1,0,0]=3 10180 B13R1.75 CCNCc1ccc(nc1C)OC 270004a_100015525214_100000101190 [0,2,0,0,0,0|1,0,0]=3 10181 B13R1.75 CCNCc1ccc(nc1Cl)OC 207a_100015525214_200012001695 [0,2,0,0,0,0|1,0,0]=3 10182 B13R1.75 CCNCc1cnc(cc1C)OC 207a_100015525214_100000085380 [0,2,0,0,0,0|1,0,0]=3 10183 B13R1.75 CCNCc1cnc(cc1C)OC 270004a_100015525214_100000085380 [0,2,0,0,0,0|1,0,0]=3 10184 B13R1.75 CCNCc1ncc(cc1Br)OC 207a_100015525214_200010135874 [0,2,0,0,0,0|1,0,0]=3 10185 B13R1.75 CCNCc1ncc(cc1Br)OC 270004a_100015525214_200010135874 [0,2,0,0,0,0|1,0,0]=3 10186 B13R1.75 CCNCc1ncc(cc1C)OC 2230a_200009843444_100000210202 [0,2,0,0,0,0|1,0,0]=3 10187 B13R1.75 CCNCc1ncc(cc1C)OC 34a_200009843444_100000210202 [0,2,0,0,0,0|1,0,0]=3 10188 B13R1.75 CCOCc1ccc(cc1Br)C#N 34a_100010214422_100000210202 [0,2,0,0,0,0|2,0,0]=4 10189 B13R1.75 CCOCc1ccc(cc1Br)C#N 34a_100121572206_100000694769 [0,2,0,0,0,0|2,0,0]=4 10190 B13R1.75 CCOCc1ccc(cc1Br)C#N 7a_100010214422_100000210202 [0,2,0,0,0,0|2,0,0]=4 10191 B13R1.75 CCOCc1ccc(cc1Br)OC 34a_100011982768_100000210202 [0,2,0,0,0,0|0,0,0]=2 10192 B13R1.75 CCOCc1ccc(cc1Br)OC 34a_100121572206_100011982828 [0,2,0,0,0,0|0,0,0]=2 10193 B13R1.75 CCOCc1ccc(cc1Br)OC 7a_100011982768_100000210202 [0,2,0,0,0,0|0,0,0]=2 10194 B13R1.75 CCOCc1ccc(cc1Cl)C#N 34a_100121572206_100000709902 [0,2,0,0,0,0|2,0,0]=4 10195 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100011982767_100000210202 [0,2,0,0,0,0|0,0,0]=2 10196 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100121572206_200011830453 [0,2,0,0,0,0|0,0,0]=2 10197 B13R1.75 CCOCc1ccc(cc1Cl)OC 7a_100011982767_100000210202 [0,2,0,0,0,0|0,0,0]=2 10198 B13R1.75 CCOCc1ccc(cc1F)C#N 34a_100000752871_100000210202 [0,2,0,0,0,0|2,0,0]=4 10199 B13R1.75 CCOCc1ccc(cc1F)C#N 34a_100121572206_100000239720 [0,2,0,0,0,0|2,0,0]=4 10200 B13R1.75 CCOCc1ccc(cc1F)C#N 7a_100000752871_100000210202 [0,2,0,0,0,0|2,0,0]=4 10201 B13R1.75 CCOCc1ccc(cc1F)OC 34a_100011830421_100000210202 [0,2,0,0,0,0|0,0,0]=2 10202 B13R1.75 CCOCc1ccc(cc1F)OC 34a_100121572206_100011260761 [0,2,0,0,0,0|0,0,0]=2 10203 B13R1.75 CCOCc1ccc(cc1F)OC 7a_100011830421_100000210202 [0,2,0,0,0,0|0,0,0]=2 10204 B13R1.75 CCOCc1ccc(cc1I)C#N 34a_100121572206_100010079267 [0,2,0,0,0,0|2,0,0]=4 10205 B13R1.75 CCOCc1ccc(cc1N)OC 34a_100011998734_100000210202 [0,2,0,0,0,0|0,0,0]=2 10206 B13R1.75 CCOCc1ccc(nc1Cl)OC 34a_100009885603_100000210202 [0,2,0,0,0,0|1,0,0]=3 10207 B13R1.75 CCSCc1ccc(cc1Br)C#N 62a_100000210202_100000694769 [0,2,0,0,0,0|2,0,0]=4 10208 B13R1.75 CCSCc1ccc(cc1Br)C#N 62a_100000694769_100000210202 [0,2,0,0,0,0|2,0,0]=4 10209 B13R1.75 CCSCc1ccc(cc1Br)OC 62a_100000210202_100011982828 [0,2,0,0,0,0|0,0,0]=2 10210 B13R1.75 CCSCc1ccc(cc1Br)OC 62a_100011982828_100000210202 [0,2,0,0,0,0|0,0,0]=2 10211 B13R1.75 CCSCc1ccc(cc1Cl)C#N 62a_100000210202_100000709902 [0,2,0,0,0,0|2,0,0]=4 10212 B13R1.75 CCSCc1ccc(cc1Cl)OC 62a_100000210202_200011830453 [0,2,0,0,0,0|0,0,0]=2 10213 B13R1.75 CCSCc1ccc(cc1Cl)OC 62a_200011830453_100000210202 [0,2,0,0,0,0|0,0,0]=2 10214 B13R1.75 CCSCc1ccc(cc1F)C#N 62a_100000210202_100000239720 [0,2,0,0,0,0|2,0,0]=4 10215 B13R1.75 CCSCc1ccc(cc1F)OC 62a_100000210202_100011260761 [0,2,0,0,0,0|0,0,0]=2 10216 B13R1.75 CCSCc1ccc(cc1F)OC 62a_100011260761_100000210202 [0,2,0,0,0,0|0,0,0]=2 10217 B13R1.75 CCSCc1ccc(cc1I)C#N 62a_100000210202_100010079267 [0,2,0,0,0,0|2,0,0]=4 10218 B13R1.75 CCSCc1ccc(cc1I)C#N 62a_100010079267_100000210202 [0,2,0,0,0,0|2,0,0]=4 10219 B13R1.75 CCc1ccc(c(c1)Br)NCCF 2230a_100012339725_100011217306 [0,2,0,0,0,0|2,0,0]=4 10220 B13R1.75 CCc1ccc(c(c1)Br)NCCF 34a_100012339725_100011217306 [0,2,0,0,0,0|2,0,0]=4 10221 B13R1.75 CCc1ccc(c(c1)Br)NCCO 2230a_100012339725_100000211926 [0,2,0,0,0,0|2,0,0]=4 10222 B13R1.75 CCc1ccc(c(c1)Br)NCCO 34a_100012339725_100000211926 [0,2,0,0,0,0|2,0,0]=4 10223 B13R1.75 CCc1ccc(c(c1)Br)NCOC 2230a_100012339725_100000766300 [0,2,0,0,0,0|2,0,0]=4 10224 B13R1.75 CCc1ccc(c(c1)Br)NCSC 2230a_100012339725_100011218213 [0,2,0,0,0,0|2,0,0]=4 10225 B13R1.75 CCc1ccc(c(c1)Br)NCSC 34a_100012339725_100011218213 [0,2,0,0,0,0|2,0,0]=4 10226 B13R1.75 CCc1ccc(c(c1)Br)OCCF 34a_100012339963_100011217306 [0,2,0,0,0,0|2,0,0]=4 10227 B13R1.75 CCc1ccc(c(c1)Br)OCCF 7a_100012339963_100011217306 [0,2,0,0,0,0|2,0,0]=4 10228 B13R1.75 CCc1ccc(c(c1)Br)OCCO 34a_100012339963_100000211926 [0,2,0,0,0,0|2,0,0]=4 10229 B13R1.75 CCc1ccc(c(c1)Br)OCCO 7a_100012339963_100000211926 [0,2,0,0,0,0|2,0,0]=4 10230 B13R1.75 CCc1ccc(c(c1)Br)OCSC 34a_100012339963_100011218213 [0,2,0,0,0,0|2,0,0]=4 10231 B13R1.75 CCc1ccc(c(c1)Br)SCCF 62a_100011217306_200009997437 [0,2,0,0,0,0|2,0,0]=4 10232 B13R1.75 CCc1ccc(c(c1)Br)SCCF 62a_200009997437_100011217306 [0,2,0,0,0,0|2,0,0]=4 10233 B13R1.75 CCc1ccc(c(c1)Br)SCCO 62a_100000211926_200009997437 [0,2,0,0,0,0|2,0,0]=4 10234 B13R1.75 CCc1ccc(c(c1)Br)SCCO 62a_200009997437_100000211926 [0,2,0,0,0,0|2,0,0]=4 10235 B13R1.75 CCc1ccc(c(c1)Br)SCOC 62a_100000766300_200009997437 [0,2,0,0,0,0|2,0,0]=4 10236 B13R1.75 CCc1ccc(c(c1)Br)SCOC 62a_200009997437_100000766300 [0,2,0,0,0,0|2,0,0]=4 10237 B13R1.75 CCc1ccc(c(c1)Br)SCSC 62a_100011218213_200009997437 [0,2,0,0,0,0|2,0,0]=4 10238 B13R1.75 CCc1ccc(c(c1)Br)SCSC 62a_200009997437_100011218213 [0,2,0,0,0,0|2,0,0]=4 10239 B13R1.75 CCc1ccc(c(c1)C)NCCF 2230a_100011226020_100011217306 [0,2,0,0,0,0|2,0,0]=4 10240 B13R1.75 CCc1ccc(c(c1)C)NCCF 34a_100011226020_100011217306 [0,2,0,0,0,0|2,0,0]=4 10241 B13R1.75 CCc1ccc(c(c1)C)NCCF 7a_100011226020_100011217306 [0,2,0,0,0,0|2,0,0]=4 10242 B13R1.75 CCc1ccc(c(c1)C)NCCO 2230a_100011226020_100000211926 [0,2,0,0,0,0|2,0,0]=4 10243 B13R1.75 CCc1ccc(c(c1)C)NCCO 34a_100011226020_100000211926 [0,2,0,0,0,0|2,0,0]=4 10244 B13R1.75 CCc1ccc(c(c1)C)NCCO 7a_100011226020_100000211926 [0,2,0,0,0,0|2,0,0]=4 10245 B13R1.75 CCc1ccc(c(c1)C)NCOC 2230a_100011226020_100000766300 [0,2,0,0,0,0|2,0,0]=4 10246 B13R1.75 CCc1ccc(c(c1)C)NCSC 2230a_100011226020_100011218213 [0,2,0,0,0,0|2,0,0]=4 10247 B13R1.75 CCc1ccc(c(c1)C)NCSC 34a_100011226020_100011218213 [0,2,0,0,0,0|2,0,0]=4 10248 B13R1.75 CCc1ccc(c(c1)F)NCCF 2230a_100016177294_100011217306 [0,2,0,0,0,0|2,0,0]=4 10249 B13R1.75 CCc1ccc(c(c1)F)NCCF 34a_100016177294_100011217306 [0,2,0,0,0,0|2,0,0]=4 10250 B13R1.75 CCc1ccc(c(c1)F)NCCO 2230a_100016177294_100000211926 [0,2,0,0,0,0|2,0,0]=4 10251 B13R1.75 CCc1ccc(c(c1)F)NCCO 34a_100016177294_100000211926 [0,2,0,0,0,0|2,0,0]=4 10252 B13R1.75 CCc1ccc(c(c1)F)NCOC 2230a_100016177294_100000766300 [0,2,0,0,0,0|2,0,0]=4 10253 B13R1.75 CCc1ccc(c(c1)F)NCSC 2230a_100016177294_100011218213 [0,2,0,0,0,0|2,0,0]=4 10254 B13R1.75 CCc1ccc(c(c1)F)NCSC 34a_100016177294_100011218213 [0,2,0,0,0,0|2,0,0]=4 10255 B13R1.75 CCc1ccc(c(c1)F)SCCF 62a_100011217306_200010339503 [0,2,0,0,0,0|2,0,0]=4 10256 B13R1.75 CCc1ccc(c(c1)F)SCCF 62a_200010339503_100011217306 [0,2,0,0,0,0|2,0,0]=4 10257 B13R1.75 CCc1ccc(c(c1)F)SCCO 62a_100000211926_200010339503 [0,2,0,0,0,0|2,0,0]=4 10258 B13R1.75 CCc1ccc(c(c1)F)SCCO 62a_200010339503_100000211926 [0,2,0,0,0,0|2,0,0]=4 10259 B13R1.75 CCc1ccc(c(c1)F)SCOC 62a_100000766300_200010339503 [0,2,0,0,0,0|2,0,0]=4 10260 B13R1.75 CCc1ccc(c(c1)F)SCOC 62a_200010339503_100000766300 [0,2,0,0,0,0|2,0,0]=4 10261 B13R1.75 CCc1ccc(c(c1)F)SCSC 62a_100011218213_200010339503 [0,2,0,0,0,0|2,0,0]=4 10262 B13R1.75 CCc1ccc(c(c1)F)SCSC 62a_200010339503_100011218213 [0,2,0,0,0,0|2,0,0]=4 10263 B13R1.75 CCc1ccc(c(c1)N)OCCF 34a_100000765835_100011217306 [0,2,0,0,0,0|2,0,0]=4 10264 B13R1.75 CCc1ccc(c(c1)N)OCCF 7a_100000765835_100011217306 [0,2,0,0,0,0|2,0,0]=4 10265 B13R1.75 CCc1ccc(c(c1)N)OCCO 34a_100000765835_100000211926 [0,2,0,0,0,0|2,0,0]=4 10266 B13R1.75 CCc1ccc(c(c1)N)OCCO 7a_100000765835_100000211926 [0,2,0,0,0,0|2,0,0]=4 10267 B13R1.75 CCc1ccc(c(c1)N)OCSC 34a_100000765835_100011218213 [0,2,0,0,0,0|2,0,0]=4 10268 B13R1.75 CCc1ccc(c(c1)O)NCCF 34a_100000124328_100011217306 [0,2,0,0,0,0|2,0,0]=4 10269 B13R1.75 CCc1ccc(c(c1)O)NCCO 34a_100000124328_100000211926 [0,2,0,0,0,0|2,0,0]=4 10270 B13R1.75 CCc1ccc(c(c1)O)NCSC 34a_100000124328_100011218213 [0,2,0,0,0,0|2,0,0]=4 10271 B13R1.75 CNc1ccc(c(c1)C)SCCF 62a_100011217306_100102888905 [0,2,0,0,0,0|2,0,0]=4 10272 B13R1.75 CNc1ccc(c(c1)C)SCCF 62a_100102888905_100011217306 [0,2,0,0,0,0|2,0,0]=4 10273 B13R1.75 CNc1ccc(c(c1)C)SCCO 62a_100000211926_100102888905 [0,2,0,0,0,0|2,0,0]=4 10274 B13R1.75 CNc1ccc(c(c1)C)SCCO 62a_100102888905_100000211926 [0,2,0,0,0,0|2,0,0]=4 10275 B13R1.75 CNc1ccc(c(c1)C)SCOC 62a_100000766300_100102888905 [0,2,0,0,0,0|2,0,0]=4 10276 B13R1.75 CNc1ccc(c(c1)C)SCOC 62a_100102888905_100000766300 [0,2,0,0,0,0|2,0,0]=4 10277 B13R1.75 CNc1ccc(c(c1)C)SCSC 62a_100011218213_100102888905 [0,2,0,0,0,0|2,0,0]=4 10278 B13R1.75 CNc1ccc(c(c1)C)SCSC 62a_100102888905_100011218213 [0,2,0,0,0,0|2,0,0]=4 10279 B13R1.75 CNc1ccc(c(c1)F)SCCF 62a_100011217306_100012285320 [0,2,0,0,0,0|2,0,0]=4 10280 B13R1.75 CNc1ccc(c(c1)F)SCCF 62a_100012285320_100011217306 [0,2,0,0,0,0|2,0,0]=4 10281 B13R1.75 CNc1ccc(c(c1)F)SCCO 62a_100000211926_100012285320 [0,2,0,0,0,0|2,0,0]=4 10282 B13R1.75 CNc1ccc(c(c1)F)SCCO 62a_100012285320_100000211926 [0,2,0,0,0,0|2,0,0]=4 10283 B13R1.75 CNc1ccc(c(c1)F)SCOC 62a_100000766300_100012285320 [0,2,0,0,0,0|2,0,0]=4 10284 B13R1.75 CNc1ccc(c(c1)F)SCOC 62a_100012285320_100000766300 [0,2,0,0,0,0|2,0,0]=4 10285 B13R1.75 CNc1ccc(c(c1)F)SCSC 62a_100011218213_100012285320 [0,2,0,0,0,0|2,0,0]=4 10286 B13R1.75 CNc1ccc(c(c1)F)SCSC 62a_100012285320_100011218213 [0,2,0,0,0,0|2,0,0]=4 10287 B13R1.75 CNc1ccn(c(=O)c1)CCOC 27a_100102657272_200015743058 [0,2,0,0,0,0|2,0,0]=4 10288 B13R1.75 COCCn1ccc(cc1=O)SC 62a_200000210301_200015743058 [0,2,0,0,0,0|1,1,0]=4 10289 B13R1.75 COCCn1ccc(cc1=O)SC 62a_200015743058_200000210301 [0,2,0,0,0,0|1,1,0]=4 10290 B13R1.75 COCCn1ccc(cc1=O)S[13CH3] 62a_200015743058_200025704644 [0,2,0,0,0,0|1,1,0]=4 10291 B13R1.75 COCCn1ccc(cc1=O)S[13CH3] 62a_200025704644_200015743058 [0,2,0,0,0,0|1,1,0]=4 10292 B13R1.75 COCOc1ccc(cc1F)SC 62a_100009812708_200000210301 [0,2,0,0,0,0|1,1,0]=4 10293 B13R1.75 COCOc1ccc(cc1F)SC 62a_200000210301_100009812708 [0,2,0,0,0,0|1,1,0]=4 10294 B13R1.75 COCOc1ccc(cc1F)S[13CH3] 62a_100009812708_200025704644 [0,2,0,0,0,0|1,1,0]=4 10295 B13R1.75 COCOc1ccc(cc1F)S[13CH3] 62a_200025704644_100009812708 [0,2,0,0,0,0|1,1,0]=4 10296 B13R1.75 COCOc1ccc(cc1O)OC 271570a_203496583355_200013022666 [0,2,0,0,0,0|1,0,0]=3 10297 B13R1.75 COCSc1ccc(cc1Br)OC 62a_100000766300_100012349170 [0,2,0,0,0,0|1,0,0]=3 10298 B13R1.75 COCSc1ccc(cc1Br)OC 62a_100012349170_100000766300 [0,2,0,0,0,0|1,0,0]=3 10299 B13R1.75 COCSc1ccc(cc1C)OC 62a_100000759875_100000766300 [0,2,0,0,0,0|1,0,0]=3 10300 B13R1.75 COCSc1ccc(cc1C)OC 62a_100000766300_100000759875 [0,2,0,0,0,0|1,0,0]=3 10301 B13R1.75 COCSc1ccc(cc1F)OC 62a_100000753793_100000766300 [0,2,0,0,0,0|1,0,0]=3 10302 B13R1.75 COCSc1ccc(cc1F)OC 62a_100000766300_100000753793 [0,2,0,0,0,0|1,0,0]=3 10303 B13R1.75 COCSc1ccc(cc1F)SC 62a_100000766300_100009816902 [0,2,0,0,0,0|1,1,0]=4 10304 B13R1.75 COCSc1ccc(cc1F)SC 62a_100009816902_100000766300 [0,2,0,0,0,0|1,1,0]=4 10305 B13R1.75 COCSc1ccc(cc1N)OC 62a_100000748021_100000766300 [0,2,0,0,0,0|1,0,0]=3 10306 B13R1.75 COCSc1ccc(cc1N)OC 62a_100000766300_100000748021 [0,2,0,0,0,0|1,0,0]=3 10307 B13R1.75 COCSc1ccc(cc1O)OC 62a_100000766300_100000719091 [0,2,0,0,0,0|1,0,0]=3 10308 B13R1.75 COCSc1ccc(nc1C)OC 62a_100000766300_100000766551 [0,2,0,0,0,0|2,0,0]=4 10309 B13R1.75 COCSc1ccc(nc1C)OC 62a_100000766551_100000766300 [0,2,0,0,0,0|2,0,0]=4 10310 B13R1.75 COCSc1ccc(nc1F)OC 62a_100000766300_100010067559 [0,2,0,0,0,0|2,0,0]=4 10311 B13R1.75 COCSc1ccc(nc1F)OC 62a_100010067559_100000766300 [0,2,0,0,0,0|2,0,0]=4 10312 B13R1.75 COCSc1ccc(nc1N)OC 62a_100010187629_100000766300 [0,2,0,0,0,0|2,0,0]=4 10313 B13R1.75 COCSc1cnc(cc1C)OC 62a_100000766300_100011934368 [0,2,0,0,0,0|2,0,0]=4 10314 B13R1.75 COCSc1cnc(cc1C)OC 62a_100011934368_100000766300 [0,2,0,0,0,0|2,0,0]=4 10315 B13R1.75 COCSc1cnc(cc1F)OC 62a_100000766300_100010136277 [0,2,0,0,0,0|2,0,0]=4 10316 B13R1.75 COCSc1cnc(cc1F)OC 62a_100010136277_100000766300 [0,2,0,0,0,0|2,0,0]=4 10317 B13R1.75 COCSc1cnc(cc1N)OC 62a_100000766300_100010254562 [0,2,0,0,0,0|2,0,0]=4 10318 B13R1.75 COCSc1cnc(cc1N)OC 62a_100010254562_100000766300 [0,2,0,0,0,0|2,0,0]=4 10319 B13R1.75 COCSc1cnc(cc1O)OC 62a_100000766300_100010738159 [0,2,0,0,0,0|2,0,0]=4 10320 B13R1.75 COCSc1cnc(cc1O)OC 62a_100010738159_100000766300 [0,2,0,0,0,0|2,0,0]=4 10321 B13R1.75 COCSc1ncc(cc1C)OC 62a_100000766300_200009851512 [0,2,0,0,0,0|2,0,0]=4 10322 B13R1.75 COCSc1ncc(cc1N)OC 62a_100000766300_100010074831 [0,2,0,0,0,0|2,0,0]=4 10323 B13R1.75 COCSc1ncc(cc1N)OC 62a_100010074831_100000766300 [0,2,0,0,0,0|2,0,0]=4 10324 B13R1.75 COc1cc(c(cn1)SCCF)C 62a_100011217306_100011934368 [0,2,0,0,0,0|2,0,0]=4 10325 B13R1.75 COc1cc(c(cn1)SCCF)C 62a_100011934368_100011217306 [0,2,0,0,0,0|2,0,0]=4 10326 B13R1.75 COc1cc(c(cn1)SCCF)F 62a_100010136277_100011217306 [0,2,0,0,0,0|2,0,0]=4 10327 B13R1.75 COc1cc(c(cn1)SCCF)F 62a_100011217306_100010136277 [0,2,0,0,0,0|2,0,0]=4 10328 B13R1.75 COc1cc(c(cn1)SCCF)N 62a_100010254562_100011217306 [0,2,0,0,0,0|2,0,0]=4 10329 B13R1.75 COc1cc(c(cn1)SCCF)N 62a_100011217306_100010254562 [0,2,0,0,0,0|2,0,0]=4 10330 B13R1.75 COc1cc(c(cn1)SCCF)O 62a_100010738159_100011217306 [0,2,0,0,0,0|2,0,0]=4 10331 B13R1.75 COc1cc(c(cn1)SCCF)O 62a_100011217306_100010738159 [0,2,0,0,0,0|2,0,0]=4 10332 B13R1.75 COc1cc(c(cn1)SCCO)C 62a_100000211926_100011934368 [0,2,0,0,0,0|2,0,0]=4 10333 B13R1.75 COc1cc(c(cn1)SCCO)C 62a_100011934368_100000211926 [0,2,0,0,0,0|2,0,0]=4 10334 B13R1.75 COc1cc(c(cn1)SCCO)F 62a_100000211926_100010136277 [0,2,0,0,0,0|2,0,0]=4 10335 B13R1.75 COc1cc(c(cn1)SCCO)F 62a_100010136277_100000211926 [0,2,0,0,0,0|2,0,0]=4 10336 B13R1.75 COc1cc(c(cn1)SCCO)N 62a_100000211926_100010254562 [0,2,0,0,0,0|2,0,0]=4 10337 B13R1.75 COc1cc(c(cn1)SCCO)N 62a_100010254562_100000211926 [0,2,0,0,0,0|2,0,0]=4 10338 B13R1.75 COc1cc(c(cn1)SCCO)O 62a_100000211926_100010738159 [0,2,0,0,0,0|2,0,0]=4 10339 B13R1.75 COc1cc(c(cn1)SCCO)O 62a_100010738159_100000211926 [0,2,0,0,0,0|2,0,0]=4 10340 B13R1.75 COc1cc(c(cn1)SCSC)C 62a_100011218213_100011934368 [0,2,0,0,0,0|2,0,0]=4 10341 B13R1.75 COc1cc(c(cn1)SCSC)C 62a_100011934368_100011218213 [0,2,0,0,0,0|2,0,0]=4 10342 B13R1.75 COc1cc(c(cn1)SCSC)F 62a_100010136277_100011218213 [0,2,0,0,0,0|2,0,0]=4 10343 B13R1.75 COc1cc(c(cn1)SCSC)F 62a_100011218213_100010136277 [0,2,0,0,0,0|2,0,0]=4 10344 B13R1.75 COc1cc(c(cn1)SCSC)N 62a_100010254562_100011218213 [0,2,0,0,0,0|2,0,0]=4 10345 B13R1.75 COc1cc(c(cn1)SCSC)N 62a_100011218213_100010254562 [0,2,0,0,0,0|2,0,0]=4 10346 B13R1.75 COc1cc(c(cn1)SCSC)O 62a_100010738159_100011218213 [0,2,0,0,0,0|2,0,0]=4 10347 B13R1.75 COc1cc(c(cn1)SCSC)O 62a_100011218213_100010738159 [0,2,0,0,0,0|2,0,0]=4 10348 B13R1.75 COc1ccc(c(c1)Br)COCF 34a_100011982768_100015361967 [0,2,0,0,0,0|1,0,0]=3 10349 B13R1.75 COc1ccc(c(c1)Br)COCF 7a_100011982768_100015361967 [0,2,0,0,0,0|1,0,0]=3 10350 B13R1.75 COc1ccc(c(c1)Br)CSCF 62a_100011982828_100015361967 [0,2,0,0,0,0|1,0,0]=3 10351 B13R1.75 COc1ccc(c(c1)Br)CSCF 62a_100015361967_100011982828 [0,2,0,0,0,0|1,0,0]=3 10352 B13R1.75 COc1ccc(c(c1)Br)NCC=O 34a_100015195136_200009817547 [0,2,0,0,0,0|1,0,1]=4 10353 B13R1.75 COc1ccc(c(c1)Br)NCCF 34a_100015195136_100011217306 [0,2,0,0,0,0|1,0,0]=3 10354 B13R1.75 COc1ccc(c(c1)Br)NCCO 34a_100015195136_100000211926 [0,2,0,0,0,0|1,0,0]=3 10355 B13R1.75 COc1ccc(c(c1)Br)NCSC 34a_100015195136_100011218213 [0,2,0,0,0,0|1,0,0]=3 10356 B13R1.75 COc1ccc(c(c1)Br)OCC#N 7a_100000685887_100011215382 [0,2,0,0,0,0|1,0,1]=4 10357 B13R1.75 COc1ccc(c(c1)Br)OCC=O 34a_100000685887_200009817547 [0,2,0,0,0,0|1,0,1]=4 10358 B13R1.75 COc1ccc(c(c1)Br)OCC=O 7a_100000685887_200015260668 [0,2,0,0,0,0|1,0,1]=4 10359 B13R1.75 COc1ccc(c(c1)Br)OCCF 34a_100000685887_100011217306 [0,2,0,0,0,0|1,0,0]=3 10360 B13R1.75 COc1ccc(c(c1)Br)OCCF 7a_100000685887_100011217306 [0,2,0,0,0,0|1,0,0]=3 10361 B13R1.75 COc1ccc(c(c1)Br)OCCO 34a_100000685887_100000211926 [0,2,0,0,0,0|1,0,0]=3 10362 B13R1.75 COc1ccc(c(c1)Br)OCCO 7a_100000685887_100000211926 [0,2,0,0,0,0|1,0,0]=3 10363 B13R1.75 COc1ccc(c(c1)Br)OCSC 34a_100000685887_100011218213 [0,2,0,0,0,0|1,0,0]=3 10364 B13R1.75 COc1ccc(c(c1)Br)SCC#N 62a_100011215382_100012349170 [0,2,0,0,0,0|1,0,1]=4 10365 B13R1.75 COc1ccc(c(c1)Br)SCC#N 62a_100012349170_100011215382 [0,2,0,0,0,0|1,0,1]=4 10366 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_100012349170_200015260668 [0,2,0,0,0,0|1,0,1]=4 10367 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_200015260668_100012349170 [0,2,0,0,0,0|1,0,1]=4 10368 B13R1.75 COc1ccc(c(c1)Br)SCCF 62a_100011217306_100012349170 [0,2,0,0,0,0|1,0,0]=3 10369 B13R1.75 COc1ccc(c(c1)Br)SCCF 62a_100012349170_100011217306 [0,2,0,0,0,0|1,0,0]=3 10370 B13R1.75 COc1ccc(c(c1)Br)SCCO 62a_100000211926_100012349170 [0,2,0,0,0,0|1,0,0]=3 10371 B13R1.75 COc1ccc(c(c1)Br)SCCO 62a_100012349170_100000211926 [0,2,0,0,0,0|1,0,0]=3 10372 B13R1.75 COc1ccc(c(c1)Br)SCSC 62a_100011218213_100012349170 [0,2,0,0,0,0|1,0,0]=3 10373 B13R1.75 COc1ccc(c(c1)Br)SCSC 62a_100012349170_100011218213 [0,2,0,0,0,0|1,0,0]=3 10374 B13R1.75 COc1ccc(c(c1)C)NCC=O 34a_100000750285_200009817547 [0,2,0,0,0,0|1,0,1]=4 10375 B13R1.75 COc1ccc(c(c1)C)NCCF 34a_100000750285_100011217306 [0,2,0,0,0,0|1,0,0]=3 10376 B13R1.75 COc1ccc(c(c1)C)NCCO 34a_100000750285_100000211926 [0,2,0,0,0,0|1,0,0]=3 10377 B13R1.75 COc1ccc(c(c1)C)NCSC 34a_100000750285_100011218213 [0,2,0,0,0,0|1,0,0]=3 10378 B13R1.75 COc1ccc(c(c1)C)OCC#N 7a_100012002223_100011215382 [0,2,0,0,0,0|1,0,1]=4 10379 B13R1.75 COc1ccc(c(c1)C)OCC=O 34a_100012002223_200009817547 [0,2,0,0,0,0|1,0,1]=4 10380 B13R1.75 COc1ccc(c(c1)C)OCC=O 7a_100012002223_200015260668 [0,2,0,0,0,0|1,0,1]=4 10381 B13R1.75 COc1ccc(c(c1)C)OCCF 34a_100012002223_100011217306 [0,2,0,0,0,0|1,0,0]=3 10382 B13R1.75 COc1ccc(c(c1)C)OCCF 7a_100012002223_100011217306 [0,2,0,0,0,0|1,0,0]=3 10383 B13R1.75 COc1ccc(c(c1)C)OCCO 34a_100012002223_100000211926 [0,2,0,0,0,0|1,0,0]=3 10384 B13R1.75 COc1ccc(c(c1)C)OCCO 7a_100012002223_100000211926 [0,2,0,0,0,0|1,0,0]=3 10385 B13R1.75 COc1ccc(c(c1)C)OCSC 34a_100012002223_100011218213 [0,2,0,0,0,0|1,0,0]=3 10386 B13R1.75 COc1ccc(c(c1)C)SCC#N 62a_100000759875_100011215382 [0,2,0,0,0,0|1,0,1]=4 10387 B13R1.75 COc1ccc(c(c1)C)SCC#N 62a_100011215382_100000759875 [0,2,0,0,0,0|1,0,1]=4 10388 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_100000759875_200015260668 [0,2,0,0,0,0|1,0,1]=4 10389 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_200015260668_100000759875 [0,2,0,0,0,0|1,0,1]=4 10390 B13R1.75 COc1ccc(c(c1)C)SCCF 62a_100000759875_100011217306 [0,2,0,0,0,0|1,0,0]=3 10391 B13R1.75 COc1ccc(c(c1)C)SCCF 62a_100011217306_100000759875 [0,2,0,0,0,0|1,0,0]=3 10392 B13R1.75 COc1ccc(c(c1)C)SCCO 62a_100000211926_100000759875 [0,2,0,0,0,0|1,0,0]=3 10393 B13R1.75 COc1ccc(c(c1)C)SCCO 62a_100000759875_100000211926 [0,2,0,0,0,0|1,0,0]=3 10394 B13R1.75 COc1ccc(c(c1)C)SCSC 62a_100000759875_100011218213 [0,2,0,0,0,0|1,0,0]=3 10395 B13R1.75 COc1ccc(c(c1)C)SCSC 62a_100011218213_100000759875 [0,2,0,0,0,0|1,0,0]=3 10396 B13R1.75 COc1ccc(c(c1)Cl)CNCF 34a_100138410423_100015361967 [0,2,0,0,0,0|1,0,0]=3 10397 B13R1.75 COc1ccc(c(c1)Cl)COCF 34a_100011982767_100015361967 [0,2,0,0,0,0|1,0,0]=3 10398 B13R1.75 COc1ccc(c(c1)Cl)COCF 7a_100011982767_100015361967 [0,2,0,0,0,0|1,0,0]=3 10399 B13R1.75 COc1ccc(c(c1)Cl)CSCF 62a_100015361967_200011830453 [0,2,0,0,0,0|1,0,0]=3 10400 B13R1.75 COc1ccc(c(c1)Cl)CSCF 62a_200011830453_100015361967 [0,2,0,0,0,0|1,0,0]=3 10401 B13R1.75 COc1ccc(c(c1)Cl)NCC=O 34a_100000747055_200009817547 [0,2,0,0,0,0|1,0,1]=4 10402 B13R1.75 COc1ccc(c(c1)Cl)NCCF 34a_100000747055_100011217306 [0,2,0,0,0,0|1,0,0]=3 10403 B13R1.75 COc1ccc(c(c1)Cl)NCCO 34a_100000747055_100000211926 [0,2,0,0,0,0|1,0,0]=3 10404 B13R1.75 COc1ccc(c(c1)Cl)NCSC 34a_100000747055_100011218213 [0,2,0,0,0,0|1,0,0]=3 10405 B13R1.75 COc1ccc(c(c1)Cl)OCC#N 7a_100000038596_100011215382 [0,2,0,0,0,0|1,0,1]=4 10406 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 34a_100000038596_200009817547 [0,2,0,0,0,0|1,0,1]=4 10407 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 7a_100000038596_200015260668 [0,2,0,0,0,0|1,0,1]=4 10408 B13R1.75 COc1ccc(c(c1)Cl)OCCF 34a_100000038596_100011217306 [0,2,0,0,0,0|1,0,0]=3 10409 B13R1.75 COc1ccc(c(c1)Cl)OCCF 7a_100000038596_100011217306 [0,2,0,0,0,0|1,0,0]=3 10410 B13R1.75 COc1ccc(c(c1)Cl)OCCO 34a_100000038596_100000211926 [0,2,0,0,0,0|1,0,0]=3 10411 B13R1.75 COc1ccc(c(c1)Cl)OCCO 7a_100000038596_100000211926 [0,2,0,0,0,0|1,0,0]=3 10412 B13R1.75 COc1ccc(c(c1)Cl)OCSC 34a_100000038596_100011218213 [0,2,0,0,0,0|1,0,0]=3 10413 B13R1.75 COc1ccc(c(c1)F)CNCF 34a_100000687396_100015361967 [0,2,0,0,0,0|1,0,0]=3 10414 B13R1.75 COc1ccc(c(c1)F)COCF 34a_100011830421_100015361967 [0,2,0,0,0,0|1,0,0]=3 10415 B13R1.75 COc1ccc(c(c1)F)COCF 7a_100011830421_100015361967 [0,2,0,0,0,0|1,0,0]=3 10416 B13R1.75 COc1ccc(c(c1)F)CSCF 62a_100011260761_100015361967 [0,2,0,0,0,0|1,0,0]=3 10417 B13R1.75 COc1ccc(c(c1)F)CSCF 62a_100015361967_100011260761 [0,2,0,0,0,0|1,0,0]=3 10418 B13R1.75 COc1ccc(c(c1)F)NCC=O 34a_100011299463_200009817547 [0,2,0,0,0,0|1,0,1]=4 10419 B13R1.75 COc1ccc(c(c1)F)NCCF 34a_100011299463_100011217306 [0,2,0,0,0,0|1,0,0]=3 10420 B13R1.75 COc1ccc(c(c1)F)NCCO 34a_100011299463_100000211926 [0,2,0,0,0,0|1,0,0]=3 10421 B13R1.75 COc1ccc(c(c1)F)NCSC 34a_100011299463_100011218213 [0,2,0,0,0,0|1,0,0]=3 10422 B13R1.75 COc1ccc(c(c1)F)OCC#N 7a_100000036999_100011215382 [0,2,0,0,0,0|1,0,1]=4 10423 B13R1.75 COc1ccc(c(c1)F)OCC=O 34a_100000036999_200009817547 [0,2,0,0,0,0|1,0,1]=4 10424 B13R1.75 COc1ccc(c(c1)F)OCC=O 7a_100000036999_200015260668 [0,2,0,0,0,0|1,0,1]=4 10425 B13R1.75 COc1ccc(c(c1)F)OCCF 34a_100000036999_100011217306 [0,2,0,0,0,0|1,0,0]=3 10426 B13R1.75 COc1ccc(c(c1)F)OCCF 7a_100000036999_100011217306 [0,2,0,0,0,0|1,0,0]=3 10427 B13R1.75 COc1ccc(c(c1)F)OCCO 34a_100000036999_100000211926 [0,2,0,0,0,0|1,0,0]=3 10428 B13R1.75 COc1ccc(c(c1)F)OCCO 7a_100000036999_100000211926 [0,2,0,0,0,0|1,0,0]=3 10429 B13R1.75 COc1ccc(c(c1)F)OCSC 34a_100000036999_100011218213 [0,2,0,0,0,0|1,0,0]=3 10430 B13R1.75 COc1ccc(c(c1)F)SCC#N 62a_100000753793_100011215382 [0,2,0,0,0,0|1,0,1]=4 10431 B13R1.75 COc1ccc(c(c1)F)SCC#N 62a_100011215382_100000753793 [0,2,0,0,0,0|1,0,1]=4 10432 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_100000753793_200015260668 [0,2,0,0,0,0|1,0,1]=4 10433 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_200015260668_100000753793 [0,2,0,0,0,0|1,0,1]=4 10434 B13R1.75 COc1ccc(c(c1)F)SCCF 62a_100000753793_100011217306 [0,2,0,0,0,0|1,0,0]=3 10435 B13R1.75 COc1ccc(c(c1)F)SCCF 62a_100011217306_100000753793 [0,2,0,0,0,0|1,0,0]=3 10436 B13R1.75 COc1ccc(c(c1)F)SCCO 62a_100000211926_100000753793 [0,2,0,0,0,0|1,0,0]=3 10437 B13R1.75 COc1ccc(c(c1)F)SCCO 62a_100000753793_100000211926 [0,2,0,0,0,0|1,0,0]=3 10438 B13R1.75 COc1ccc(c(c1)F)SCSC 62a_100000753793_100011218213 [0,2,0,0,0,0|1,0,0]=3 10439 B13R1.75 COc1ccc(c(c1)F)SCSC 62a_100011218213_100000753793 [0,2,0,0,0,0|1,0,0]=3 10440 B13R1.75 COc1ccc(c(c1)I)NCC=O 34a_100000049804_200009817547 [0,2,0,0,0,0|1,0,1]=4 10441 B13R1.75 COc1ccc(c(c1)I)NCCF 34a_100000049804_100011217306 [0,2,0,0,0,0|1,0,0]=3 10442 B13R1.75 COc1ccc(c(c1)I)NCCO 34a_100000049804_100000211926 [0,2,0,0,0,0|1,0,0]=3 10443 B13R1.75 COc1ccc(c(c1)I)NCSC 34a_100000049804_100011218213 [0,2,0,0,0,0|1,0,0]=3 10444 B13R1.75 COc1ccc(c(c1)N)COCF 34a_100011998734_100015361967 [0,2,0,0,0,0|1,0,0]=3 10445 B13R1.75 COc1ccc(c(c1)N)OCC=O 34a_100000188146_200009817547 [0,2,0,0,0,0|1,0,1]=4 10446 B13R1.75 COc1ccc(c(c1)N)OCCF 34a_100000188146_100011217306 [0,2,0,0,0,0|1,0,0]=3 10447 B13R1.75 COc1ccc(c(c1)N)OCCO 34a_100000188146_100000211926 [0,2,0,0,0,0|1,0,0]=3 10448 B13R1.75 COc1ccc(c(c1)N)OCSC 34a_100000188146_100011218213 [0,2,0,0,0,0|1,0,0]=3 10449 B13R1.75 COc1ccc(c(c1)N)SCC#N 62a_100000748021_100011215382 [0,2,0,0,0,0|1,0,1]=4 10450 B13R1.75 COc1ccc(c(c1)N)SCC#N 62a_100011215382_100000748021 [0,2,0,0,0,0|1,0,1]=4 10451 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_100000748021_200015260668 [0,2,0,0,0,0|1,0,1]=4 10452 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_200015260668_100000748021 [0,2,0,0,0,0|1,0,1]=4 10453 B13R1.75 COc1ccc(c(c1)N)SCCF 62a_100000748021_100011217306 [0,2,0,0,0,0|1,0,0]=3 10454 B13R1.75 COc1ccc(c(c1)N)SCCF 62a_100011217306_100000748021 [0,2,0,0,0,0|1,0,0]=3 10455 B13R1.75 COc1ccc(c(c1)N)SCCO 62a_100000211926_100000748021 [0,2,0,0,0,0|1,0,0]=3 10456 B13R1.75 COc1ccc(c(c1)N)SCCO 62a_100000748021_100000211926 [0,2,0,0,0,0|1,0,0]=3 10457 B13R1.75 COc1ccc(c(c1)N)SCSC 62a_100000748021_100011218213 [0,2,0,0,0,0|1,0,0]=3 10458 B13R1.75 COc1ccc(c(c1)N)SCSC 62a_100011218213_100000748021 [0,2,0,0,0,0|1,0,0]=3 10459 B13R1.75 COc1ccc(c(c1)O)NCC=O 34a_100016989039_200009817547 [0,2,0,0,0,0|1,0,1]=4 10460 B13R1.75 COc1ccc(c(c1)O)NCCF 34a_100016989039_100011217306 [0,2,0,0,0,0|1,0,0]=3 10461 B13R1.75 COc1ccc(c(c1)O)NCCO 34a_100016989039_100000211926 [0,2,0,0,0,0|1,0,0]=3 10462 B13R1.75 COc1ccc(c(c1)O)NCSC 34a_100016989039_100011218213 [0,2,0,0,0,0|1,0,0]=3 10463 B13R1.75 COc1ccc(c(c1)O)OCC#N 271570a_203496583355_100012356953 [0,2,0,0,0,0|1,0,1]=4 10464 B13R1.75 COc1ccc(c(c1)O)SCC#N 62a_100011215382_100000719091 [0,2,0,0,0,0|1,0,1]=4 10465 B13R1.75 COc1ccc(c(c1)O)SCC=O 62a_200015260668_100000719091 [0,2,0,0,0,0|1,0,1]=4 10466 B13R1.75 COc1ccc(c(c1)O)SCCF 62a_100011217306_100000719091 [0,2,0,0,0,0|1,0,0]=3 10467 B13R1.75 COc1ccc(c(c1)O)SCCO 62a_100000211926_100000719091 [0,2,0,0,0,0|1,0,0]=3 10468 B13R1.75 COc1ccc(c(c1)O)SCSC 62a_100011218213_100000719091 [0,2,0,0,0,0|1,0,0]=3 10469 B13R1.75 COc1ccc(c(n1)C)OCCF 34a_200009873766_100011217306 [0,2,0,0,0,0|2,0,0]=4 10470 B13R1.75 COc1ccc(c(n1)C)OCCO 34a_200009873766_100000211926 [0,2,0,0,0,0|2,0,0]=4 10471 B13R1.75 COc1ccc(c(n1)C)OCSC 34a_200009873766_100011218213 [0,2,0,0,0,0|2,0,0]=4 10472 B13R1.75 COc1ccc(c(n1)C)SCCF 62a_100000766551_100011217306 [0,2,0,0,0,0|2,0,0]=4 10473 B13R1.75 COc1ccc(c(n1)C)SCCF 62a_100011217306_100000766551 [0,2,0,0,0,0|2,0,0]=4 10474 B13R1.75 COc1ccc(c(n1)C)SCCO 62a_100000211926_100000766551 [0,2,0,0,0,0|2,0,0]=4 10475 B13R1.75 COc1ccc(c(n1)C)SCCO 62a_100000766551_100000211926 [0,2,0,0,0,0|2,0,0]=4 10476 B13R1.75 COc1ccc(c(n1)C)SCSC 62a_100000766551_100011218213 [0,2,0,0,0,0|2,0,0]=4 10477 B13R1.75 COc1ccc(c(n1)C)SCSC 62a_100011218213_100000766551 [0,2,0,0,0,0|2,0,0]=4 10478 B13R1.75 COc1ccc(c(n1)Cl)COCF 34a_100009885603_100015361967 [0,2,0,0,0,0|2,0,0]=4 10479 B13R1.75 COc1ccc(c(n1)F)SCCF 62a_100010067559_100011217306 [0,2,0,0,0,0|2,0,0]=4 10480 B13R1.75 COc1ccc(c(n1)F)SCCF 62a_100011217306_100010067559 [0,2,0,0,0,0|2,0,0]=4 10481 B13R1.75 COc1ccc(c(n1)F)SCCO 62a_100000211926_100010067559 [0,2,0,0,0,0|2,0,0]=4 10482 B13R1.75 COc1ccc(c(n1)F)SCCO 62a_100010067559_100000211926 [0,2,0,0,0,0|2,0,0]=4 10483 B13R1.75 COc1ccc(c(n1)F)SCSC 62a_100010067559_100011218213 [0,2,0,0,0,0|2,0,0]=4 10484 B13R1.75 COc1ccc(c(n1)F)SCSC 62a_100011218213_100010067559 [0,2,0,0,0,0|2,0,0]=4 10485 B13R1.75 COc1ccc(c(n1)N)SCCF 62a_100010187629_100011217306 [0,2,0,0,0,0|2,0,0]=4 10486 B13R1.75 COc1ccc(c(n1)N)SCCO 62a_100010187629_100000211926 [0,2,0,0,0,0|2,0,0]=4 10487 B13R1.75 COc1ccc(c(n1)N)SCSC 62a_100010187629_100011218213 [0,2,0,0,0,0|2,0,0]=4 10488 B13R1.75 COc1cnc(c(c1)C)CNCF 34a_200009843444_100015361967 [0,2,0,0,0,0|2,0,0]=4 10489 B13R1.75 COc1cnc(c(c1)C)SCCF 62a_100011217306_200009851512 [0,2,0,0,0,0|2,0,0]=4 10490 B13R1.75 COc1cnc(c(c1)C)SCCO 62a_100000211926_200009851512 [0,2,0,0,0,0|2,0,0]=4 10491 B13R1.75 COc1cnc(c(c1)C)SCSC 62a_100011218213_200009851512 [0,2,0,0,0,0|2,0,0]=4 10492 B13R1.75 COc1cnc(c(c1)N)SCCF 62a_100010074831_100011217306 [0,2,0,0,0,0|2,0,0]=4 10493 B13R1.75 COc1cnc(c(c1)N)SCCF 62a_100011217306_100010074831 [0,2,0,0,0,0|2,0,0]=4 10494 B13R1.75 COc1cnc(c(c1)N)SCCO 62a_100000211926_100010074831 [0,2,0,0,0,0|2,0,0]=4 10495 B13R1.75 COc1cnc(c(c1)N)SCCO 62a_100010074831_100000211926 [0,2,0,0,0,0|2,0,0]=4 10496 B13R1.75 COc1cnc(c(c1)N)SCSC 62a_100010074831_100011218213 [0,2,0,0,0,0|2,0,0]=4 10497 B13R1.75 COc1cnc(c(c1)N)SCSC 62a_100011218213_100010074831 [0,2,0,0,0,0|2,0,0]=4 10498 B13R1.75 CSCNc1ccc(cc1F)SC 34a_100012056844_100011218213 [0,2,0,0,0,0|1,1,0]=4 10499 B13R1.75 CSCSc1ccc(cc1F)SC 62a_100009816902_100011218213 [0,2,0,0,0,0|1,1,0]=4 10500 B13R1.75 CSCSc1ccc(cc1F)SC 62a_100011218213_100009816902 [0,2,0,0,0,0|1,1,0]=4 10501 B13R1.75 CSc1ccc(c(c1)F)NCCF 34a_100012056844_100011217306 [0,2,0,0,0,0|1,1,0]=4 10502 B13R1.75 CSc1ccc(c(c1)F)NCCO 34a_100012056844_100000211926 [0,2,0,0,0,0|1,1,0]=4 10503 B13R1.75 CSc1ccc(c(c1)F)SCCF 62a_100009816902_100011217306 [0,2,0,0,0,0|1,1,0]=4 10504 B13R1.75 CSc1ccc(c(c1)F)SCCF 62a_100011217306_100009816902 [0,2,0,0,0,0|1,1,0]=4 10505 B13R1.75 CSc1ccc(c(c1)F)SCCO 62a_100000211926_100009816902 [0,2,0,0,0,0|1,1,0]=4 10506 B13R1.75 CSc1ccc(c(c1)F)SCCO 62a_100009816902_100000211926 [0,2,0,0,0,0|1,1,0]=4 10507 B13R1.77 C#CCNc1ccc(cc1)CCC 2230a_100000211780_100000038162 [0,2,0,0,0,0|1,0,0]=3 10508 B13R1.77 C#CCNc1ccc(cc1)CCC 34a_100000211780_100000184674 [0,2,0,0,0,0|1,0,0]=3 10509 B13R1.77 C#CCNc1ccc(cc1)CCO 2230a_100011204434_100000038162 [0,2,0,0,0,0|2,0,0]=4 10510 B13R1.77 C#CCNc1ccc(cc1)CCO 34a_100011204434_100000184674 [0,2,0,0,0,0|2,0,0]=4 10511 B13R1.77 C#CCNc1ccc(cc1)COC 34a_100000694113_100000184674 [0,2,0,0,0,0|0,0,2]=4 10512 B13R1.77 C#CCNc1ccc(cc1)CSC 2230a_106726388226_100000038162 [0,2,0,0,0,0|2,0,0]=4 10513 B13R1.77 C#CCNc1ccc(cc1)CSC 34a_106726388226_100000184674 [0,2,0,0,0,0|2,0,0]=4 10514 B13R1.77 C#CCNc1ccc(cc1)CSC 7a_106726388226_100000038162 [0,2,0,0,0,0|2,0,0]=4 10515 B13R1.77 C#CCNc1ccc(cc1)OCC 2230a_100000739623_100000038162 [0,2,0,0,0,0|0,0,2]=4 10516 B13R1.77 C#CCNc1ccc(cc1)OCC 34a_100000739623_100000184674 [0,2,0,0,0,0|0,0,2]=4 10517 B13R1.77 C#CCNc1ccc(cc1)SCC 34a_100015187087_100000184674 [0,2,0,0,0,0|2,0,0]=4 10518 B13R1.77 C#CCOc1ccc(cc1)CC#N 34a_100000198970_100000184674 [0,2,0,0,0,0|1,0,1]=4 10519 B13R1.77 C#CCOc1ccc(cc1)CC#N 7a_100000198970_100000038162 [0,2,0,0,0,0|1,0,1]=4 10520 B13R1.77 C#CCOc1ccc(cc1)CC=C 34a_100000078792_100000184674 [0,2,0,0,0,0|0,0,2]=4 10521 B13R1.77 C#CCOc1ccc(cc1)CC=C 7a_100000078792_100000038162 [0,2,0,0,0,0|0,0,2]=4 10522 B13R1.77 C#CCOc1ccc(cc1)CCBr 34a_100009816426_100000184674 [0,2,0,0,0,0|1,0,0]=3 10523 B13R1.77 C#CCOc1ccc(cc1)CCBr 7a_100009816426_100000038162 [0,2,0,0,0,0|1,0,0]=3 10524 B13R1.77 C#CCOc1ccc(cc1)CCC 34a_100000749406_100000184674 [0,2,0,0,0,0|0,0,0]=2 10525 B13R1.77 C#CCOc1ccc(cc1)CCC 7a_100000749406_100000038162 [0,2,0,0,0,0|0,0,0]=2 10526 B13R1.77 C#CCOc1ccc(cc1)CCN 34a_100000743037_100000184674 [0,2,0,0,0,0|1,0,0]=3 10527 B13R1.77 C#CCOc1ccc(cc1)CCO 34a_100011215338_100000184674 [0,2,0,0,0,0|1,0,0]=3 10528 B13R1.77 C#CCOc1ccc(cc1)CCO 7a_100011215338_100000038162 [0,2,0,0,0,0|1,0,0]=3 10529 B13R1.77 C#CCOc1ccc(cc1)CNC 207a_100102657272_100000172624 [0,2,0,0,0,0|1,0,0]=3 10530 B13R1.77 C#CCOc1ccc(cc1)CNC 270004a_106832991635_100000172624 [0,2,0,0,0,0|1,0,0]=3 10531 B13R1.77 C#CCOc1ccc(cc1)CNC 34a_100000207500_100000184674 [0,2,0,0,0,0|1,0,0]=3 10532 B13R1.77 C#CCOc1ccc(cc1)COC 34a_200011995677_100000184674 [0,2,0,0,0,0|1,0,0]=3 10533 B13R1.77 C#CCOc1ccc(cc1)COC 7a_200011995677_100000038162 [0,2,0,0,0,0|1,0,0]=3 10534 B13R1.77 C#CCOc1ccc(cc1)NCC 2230a_100000753246_100000210202 [0,2,0,0,0,0|1,0,0]=3 10535 B13R1.77 C#CCOc1ccc(cc1)NCC 34a_100000753246_100000210202 [0,2,0,0,0,0|1,0,0]=3 10536 B13R1.77 C#CCOc1ccc(cc1)NCC 34a_100011337800_100000184674 [0,2,0,0,0,0|1,0,0]=3 10537 B13R1.77 C#CCOc1ccc(cc1)NCC 7a_100011337800_100000038162 [0,2,0,0,0,0|1,0,0]=3 10538 B13R1.77 C#CCOc1ccc(cc1)NCF 34a_100000753246_100015361967 [0,2,0,0,0,0|2,0,0]=4 10539 B13R1.77 C#CCOc1ccc(cc1)OCC 34a_100000185467_100000184674 [0,2,0,0,0,0|1,0,0]=3 10540 B13R1.77 C#CCSc1ccc(cc1)CCC 62a_100000038162_100000750032 [0,2,0,0,0,0|0,1,0]=3 10541 B13R1.77 C#CCSc1ccc(cc1)CCN 62a_100000038162_100000755846 [0,2,0,0,0,0|1,1,0]=4 10542 B13R1.77 C#CCSc1ccc(cc1)CCO 62a_100000038162_100000766406 [0,2,0,0,0,0|1,1,0]=4 10543 B13R1.77 C#CCSc1ccc(cc1)CNC 62a_100000038162_100000180866 [0,2,0,0,0,0|1,1,0]=4 10544 B13R1.77 C#CCSc1ccc(cc1)COC 62a_100000038162_100011493685 [0,2,0,0,0,0|0,0,2]=4 10545 B13R1.77 C#CCSc1ccc(cc1)NCC 62a_100000038162_100000219632 [0,2,0,0,0,0|1,1,0]=4 10546 B13R1.77 C#CCSc1ccc(cc1)OCC 62a_100000038162_100000171712 [0,2,0,0,0,0|0,0,2]=4 10547 B13R1.77 C#CCSc1ccc(cc1)SCC 62a_100000038162_200009811893 [0,2,0,0,0,0|1,1,0]=4 10548 B13R1.77 C/C=C/c1ccc(cc1)CCCC 271570a_100020621405_100016259036 [0,2,0,0,0,0|1,0,0]=3 10549 B13R1.77 C/C=C/c1ccc(cc1)SCCC 62a_100000210303_100016259036 [0,2,0,0,0,0|1,0,0]=3 10550 B13R1.77 C/C=C/c1ccc(cc1)SCCC 62a_100016259036_100000210303 [0,2,0,0,0,0|1,0,0]=3 10551 B13R1.77 C/C=C/c1ccc(cc1)SCCF 62a_100011217306_100016259036 [0,2,0,0,0,0|2,0,0]=4 10552 B13R1.77 C/C=C/c1ccc(cc1)SCCF 62a_100016259036_100011217306 [0,2,0,0,0,0|2,0,0]=4 10553 B13R1.77 C/C=C/c1ccc(cc1)SCCO 62a_100000211926_100016259036 [0,2,0,0,0,0|2,0,0]=4 10554 B13R1.77 C/C=C/c1ccc(cc1)SCCO 62a_100016259036_100000211926 [0,2,0,0,0,0|2,0,0]=4 10555 B13R1.77 C/C=C/c1ccc(cc1)SCOC 62a_100000766300_100016259036 [0,2,0,0,0,0|0,0,2]=4 10556 B13R1.77 C/C=C/c1ccc(cc1)SCOC 62a_100016259036_100000766300 [0,2,0,0,0,0|0,0,2]=4 10557 B13R1.77 C/C=C/c1ccc(cc1)SCSC 62a_100011218213_100016259036 [0,2,0,0,0,0|2,0,0]=4 10558 B13R1.77 C/C=C/c1ccc(cc1)SCSC 62a_100016259036_100011218213 [0,2,0,0,0,0|2,0,0]=4 10559 B13R1.77 C=C=Cc1ccc(cc1)CCCC 271570a_100015277604_100011215597 [0,2,0,0,0,0|1,0,1]=4 10560 B13R1.77 C=C=Cc1ccc(cc1)CCCN 271570a_100015277604_100011297623 [0,2,0,0,0,0|1,0,1]=4 10561 B13R1.77 C=C=Cc1ccc(cc1)CCCO 271570a_100015277604_100011709247 [0,2,0,0,0,0|1,0,1]=4 10562 B13R1.77 C=C=Cc1ccc(cc1)CCNC 271570a_100015277604_100000752880 [0,2,0,0,0,0|1,0,1]=4 10563 B13R1.77 C=C=Cc1ccc(cc1)CCOC 271570a_100015277604_100000739703 [0,2,0,0,0,0|1,0,1]=4 10564 B13R1.77 C=C=Cc1ccc(cc1)CNCC 271570a_100015277604_100000187385 [0,2,0,0,0,0|1,0,1]=4 10565 B13R1.77 C=C=Cc1ccc(cc1)COCC 271570a_100015277604_100000758564 [0,2,0,0,0,0|1,0,1]=4 10566 B13R1.77 C=C=Cc1ccc(cc1)OCCC 271570a_100015277604_100000169948 [0,2,0,0,0,0|1,0,1]=4 10567 B13R1.77 C=C=Cc1ccc(cc1)SCCC 271570a_100015277604_200009811899 [0,2,0,0,0,0|1,0,1]=4 10568 B13R1.77 C=CCNc1ccc(cc1)CCC 2230a_100000211780_100000210623 [0,2,0,0,0,0|1,0,0]=3 10569 B13R1.77 C=CCNc1ccc(cc1)CCC 34a_100000211780_100015514636 [0,2,0,0,0,0|1,0,0]=3 10570 B13R1.77 C=CCNc1ccc(cc1)CCO 2230a_100011204434_100000210623 [0,2,0,0,0,0|2,0,0]=4 10571 B13R1.77 C=CCNc1ccc(cc1)CCO 34a_100011204434_100015514636 [0,2,0,0,0,0|2,0,0]=4 10572 B13R1.77 C=CCNc1ccc(cc1)COC 34a_100000694113_100015514636 [0,2,0,0,0,0|0,0,2]=4 10573 B13R1.77 C=CCNc1ccc(cc1)CSC 2230a_106726388226_100000210623 [0,2,0,0,0,0|2,0,0]=4 10574 B13R1.77 C=CCNc1ccc(cc1)CSC 34a_106726388226_100015514636 [0,2,0,0,0,0|2,0,0]=4 10575 B13R1.77 C=CCNc1ccc(cc1)CSC 7a_106726388226_100015514636 [0,2,0,0,0,0|2,0,0]=4 10576 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,2,0,0,0,0|0,0,2]=4 10577 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,2,0,0,0,0|0,0,2]=4 10578 B13R1.77 C=CCNc1ccc(cc1)SCC 34a_100015187087_100015514636 [0,2,0,0,0,0|2,0,0]=4 10579 B13R1.77 C=CCOc1ccc(cc1)C=CC 271570a_100016259895_100000172055 [0,2,0,0,0,0|0,0,2]=4 10580 B13R1.77 C=CCOc1ccc(cc1)CC#N 34a_100000198970_100015514636 [0,2,0,0,0,0|1,0,1]=4 10581 B13R1.77 C=CCOc1ccc(cc1)CC#N 7a_100000198970_100015514636 [0,2,0,0,0,0|1,0,1]=4 10582 B13R1.77 C=CCOc1ccc(cc1)CC=C 34a_100000078792_100015514636 [0,2,0,0,0,0|0,0,2]=4 10583 B13R1.77 C=CCOc1ccc(cc1)CC=C 7a_100000078792_100015514636 [0,2,0,0,0,0|0,0,2]=4 10584 B13R1.77 C=CCOc1ccc(cc1)CCBr 34a_100009816426_100015514636 [0,2,0,0,0,0|1,0,0]=3 10585 B13R1.77 C=CCOc1ccc(cc1)CCBr 7a_100009816426_100015514636 [0,2,0,0,0,0|1,0,0]=3 10586 B13R1.77 C=CCOc1ccc(cc1)CCC 34a_100000749406_100015514636 [0,2,0,0,0,0|0,0,0]=2 10587 B13R1.77 C=CCOc1ccc(cc1)CCC 7a_100000749406_100015514636 [0,2,0,0,0,0|0,0,0]=2 10588 B13R1.77 C=CCOc1ccc(cc1)CCN 34a_100000743037_100015514636 [0,2,0,0,0,0|1,0,0]=3 10589 B13R1.77 C=CCOc1ccc(cc1)CCO 34a_100011215338_100015514636 [0,2,0,0,0,0|1,0,0]=3 10590 B13R1.77 C=CCOc1ccc(cc1)CCO 7a_100011215338_100015514636 [0,2,0,0,0,0|1,0,0]=3 10591 B13R1.77 C=CCOc1ccc(cc1)CNC 207a_100102657272_100000172049 [0,2,0,0,0,0|1,0,0]=3 10592 B13R1.77 C=CCOc1ccc(cc1)CNC 270004a_106832991635_100000172049 [0,2,0,0,0,0|1,0,0]=3 10593 B13R1.77 C=CCOc1ccc(cc1)CNC 34a_100000207500_100015514636 [0,2,0,0,0,0|1,0,0]=3 10594 B13R1.77 C=CCOc1ccc(cc1)COC 34a_200011995677_100015514636 [0,2,0,0,0,0|1,0,0]=3 10595 B13R1.77 C=CCOc1ccc(cc1)COC 7a_200011995677_100015514636 [0,2,0,0,0,0|1,0,0]=3 10596 B13R1.77 C=CCOc1ccc(cc1)NCC 34a_100011337800_100015514636 [0,2,0,0,0,0|1,0,0]=3 10597 B13R1.77 C=CCOc1ccc(cc1)NCC 7a_100011337800_100015514636 [0,2,0,0,0,0|1,0,0]=3 10598 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,2,0,0,0,0|1,0,0]=3 10599 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000172055_100000210202 [0,2,0,0,0,0|1,0,0]=3 10600 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000210202_100000172055 [0,2,0,0,0,0|1,0,0]=3 10601 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100000172055_100015361967 [0,2,0,0,0,0|2,0,0]=4 10602 B13R1.77 C=CCOc1ccc(cc1)SCF 62a_100015361967_100000172055 [0,2,0,0,0,0|2,0,0]=4 10603 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000210623_100000750032 [0,2,0,0,0,0|0,1,0]=3 10604 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000750032_100000210623 [0,2,0,0,0,0|0,1,0]=3 10605 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000210623_100000755846 [0,2,0,0,0,0|1,1,0]=4 10606 B13R1.77 C=CCSc1ccc(cc1)CCN 62a_100000755846_100000210623 [0,2,0,0,0,0|1,1,0]=4 10607 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000210623_100000766406 [0,2,0,0,0,0|1,1,0]=4 10608 B13R1.77 C=CCSc1ccc(cc1)CCO 62a_100000766406_100000210623 [0,2,0,0,0,0|1,1,0]=4 10609 B13R1.77 C=CCSc1ccc(cc1)CNC 62a_100000180866_100000210623 [0,2,0,0,0,0|1,1,0]=4 10610 B13R1.77 C=CCSc1ccc(cc1)CNC 62a_100000210623_100000180866 [0,2,0,0,0,0|1,1,0]=4 10611 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100000210623_100011493685 [0,2,0,0,0,0|0,0,2]=4 10612 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100011493685_100000210623 [0,2,0,0,0,0|0,0,2]=4 10613 B13R1.77 C=CCSc1ccc(cc1)NCC 62a_100000210623_100000219632 [0,2,0,0,0,0|1,1,0]=4 10614 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,2,0,0,0,0|0,0,2]=4 10615 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_100000210623_200009811893 [0,2,0,0,0,0|1,1,0]=4 10616 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_200009811893_100000210623 [0,2,0,0,0,0|1,1,0]=4 10617 B13R1.77 C=CCc1ccc(cc1)OCC#N 7a_100000078792_100011215382 [0,2,0,0,0,0|0,0,2]=4 10618 B13R1.77 C=CCc1ccc(cc1)OCC=O 34a_100000078792_200009817547 [0,2,0,0,0,0|0,0,2]=4 10619 B13R1.77 C=CCc1ccc(cc1)OCC=O 7a_100000078792_200015260668 [0,2,0,0,0,0|0,0,2]=4 10620 B13R1.77 C=CCc1ccc(cc1)OCCC 34a_100000078792_100000210303 [0,2,0,0,0,0|0,0,2]=4 10621 B13R1.77 C=CCc1ccc(cc1)OCCC 7a_100000078792_100000210303 [0,2,0,0,0,0|0,0,2]=4 10622 B13R1.77 C=CCc1ccc(cc1)OCCF 34a_100000078792_100011217306 [0,2,0,0,0,0|0,0,2]=4 10623 B13R1.77 C=CCc1ccc(cc1)OCCF 7a_100000078792_100011217306 [0,2,0,0,0,0|0,0,2]=4 10624 B13R1.77 C=CCc1ccc(cc1)OCCO 34a_100000078792_100000211926 [0,2,0,0,0,0|0,0,2]=4 10625 B13R1.77 C=CCc1ccc(cc1)OCCO 7a_100000078792_100000211926 [0,2,0,0,0,0|0,0,2]=4 10626 B13R1.77 C=CCc1ccc(cc1)OCSC 34a_100000078792_100011218213 [0,2,0,0,0,0|0,0,2]=4 10627 B13R1.77 C=COc1ccc(cc1)SCCC 62a_100000210303_100000704263 [0,2,0,0,0,0|0,0,1]=3 10628 B13R1.77 C=COc1ccc(cc1)SCCC 62a_100000704263_100000210303 [0,2,0,0,0,0|0,0,1]=3 10629 B13R1.77 C=COc1ccc(cc1)SCCF 62a_100000704263_100011217306 [0,2,0,0,0,0|1,0,1]=4 10630 B13R1.77 C=COc1ccc(cc1)SCCF 62a_100011217306_100000704263 [0,2,0,0,0,0|1,0,1]=4 10631 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000211926_100000704263 [0,2,0,0,0,0|1,0,1]=4 10632 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000704263_100000211926 [0,2,0,0,0,0|1,0,1]=4 10633 B13R1.77 C=COc1ccc(cc1)SCOC 62a_100000704263_100000766300 [0,2,0,0,0,0|1,0,1]=4 10634 B13R1.77 C=COc1ccc(cc1)SCOC 62a_100000766300_100000704263 [0,2,0,0,0,0|1,0,1]=4 10635 B13R1.77 C=COc1ccc(cc1)SCSC 62a_100000704263_100011218213 [0,2,0,0,0,0|1,0,1]=4 10636 B13R1.77 C=COc1ccc(cc1)SCSC 62a_100011218213_100000704263 [0,2,0,0,0,0|1,0,1]=4 10637 B13R1.77 CC=Cc1ccc(cc1)C=COC 271570a_100016259895_100020630460 [0,2,0,0,0,0|0,0,2]=4 10638 B13R1.77 CC=Cc1ccc(cc1)CCC#N 271570a_100016259895_100011216407 [0,2,0,0,0,0|1,0,1]=4 10639 B13R1.77 CC=Cc1ccc(cc1)CCC=O 271570a_100016259895_100011361538 [0,2,0,0,0,0|1,0,1]=4 10640 B13R1.77 CC=Cc1ccc(cc1)CCCC 271570a_100016259895_100011215597 [0,2,0,0,0,0|1,0,0]=3 10641 B13R1.77 CC=Cc1ccc(cc1)CCCN 271570a_100016259895_100011297623 [0,2,0,0,0,0|1,0,0]=3 10642 B13R1.77 CC=Cc1ccc(cc1)CCCO 271570a_100016259895_100011709247 [0,2,0,0,0,0|1,0,0]=3 10643 B13R1.77 CC=Cc1ccc(cc1)CCNC 271570a_100016259895_100000752880 [0,2,0,0,0,0|1,0,0]=3 10644 B13R1.77 CC=Cc1ccc(cc1)CCOC 271570a_100016259895_100000739703 [0,2,0,0,0,0|1,0,0]=3 10645 B13R1.77 CC=Cc1ccc(cc1)CNCC 271570a_100016259895_100000187385 [0,2,0,0,0,0|1,0,0]=3 10646 B13R1.77 CC=Cc1ccc(cc1)COCC 271570a_100016259895_100000758564 [0,2,0,0,0,0|1,0,0]=3 10647 B13R1.77 CC=Cc1ccc(cc1)OCC#N 271570a_100016259895_200000169425 [0,2,0,0,0,0|0,0,2]=4 10648 B13R1.77 CC=Cc1ccc(cc1)OCCC 271570a_100016259895_100000169948 [0,2,0,0,0,0|1,0,0]=3 10649 B13R1.77 CC=Cc1ccc(cc1)OCCF 271570a_100016259895_100012347556 [0,2,0,0,0,0|0,0,2]=4 10650 B13R1.77 CC=Cc1ccc(cc1)OCCN 271570a_100016259895_100000746992 [0,2,0,0,0,0|0,0,2]=4 10651 B13R1.77 CC=Cc1ccc(cc1)OCCO 271570a_100016259895_100000686261 [0,2,0,0,0,0|0,0,2]=4 10652 B13R1.77 CC=Cc1ccc(cc1)OCOC 271570a_100016259895_100012265687 [0,2,0,0,0,0|0,0,2]=4 10653 B13R1.77 CC=Cc1ccc(cc1)SCCC 271570a_100016259895_200009811899 [0,2,0,0,0,0|1,0,0]=3 10654 B13R1.77 CC=Cc1ccc(cc1)SCCN 271570a_100016259895_100000184645 [0,2,0,0,0,0|2,0,0]=4 10655 B13R1.77 CC=Cc1ccc(cn1)COCC 271570a_100016259895_100011206209 [0,2,0,0,0,0|2,0,0]=4 10656 B13R1.77 CC=Cc1ccc(cn1)OCCC 271570a_100016259895_100000719977 [0,2,0,0,0,0|2,0,0]=4 10657 B13R1.77 CC=Cc1ccc(nc1)OCCC 271570a_100016259895_100011465619 [0,2,0,0,0,0|2,0,0]=4 10658 B13R1.77 CC=NNc1ccc(cc1)CCC 4a_100015306804_200000210099 [0,2,0,0,0,0|1,0,0]=3 10659 B13R1.77 CC=NNc1ccc(cc1)OCC 4a_100000738955_200000210099 [0,2,0,0,0,0|1,0,1]=4 10660 B13R1.77 CCCCc1ccc(cc1)/C=C/Br 271570a_100020621405_200016255901 [0,2,0,0,0,0|1,0,1]=4 10661 B13R1.77 CCCCc1ccc(cc1)CC#N 271570a_100020621405_100011217881 [0,2,0,0,0,0|1,0,1]=4 10662 B13R1.77 CCCCc1ccc(cc1)CC=O 271570a_100020621405_100011361690 [0,2,0,0,0,0|1,0,1]=4 10663 B13R1.77 CCCCc1ccc(cc1)CCC 271570a_100020621405_100000750032 [0,2,0,0,0,0|1,0,0]=3 10664 B13R1.77 CCCCc1ccc(cc1)CCN 271570a_100020621405_100000755846 [0,2,0,0,0,0|1,0,0]=3 10665 B13R1.77 CCCCc1ccc(cc1)CCO 271570a_100020621405_100000766406 [0,2,0,0,0,0|1,0,0]=3 10666 B13R1.77 CCCCc1ccc(cc1)CNC 207a_100102657272_100011219593 [0,2,0,0,0,0|1,0,0]=3 10667 B13R1.77 CCCCc1ccc(cc1)CNC 2230a_100011216224_200000210301 [0,2,0,0,0,0|1,0,0]=3 10668 B13R1.77 CCCCc1ccc(cc1)CNC 2230a_106832991635_100011934885 [0,2,0,0,0,0|1,0,0]=3 10669 B13R1.77 CCCCc1ccc(cc1)CNC 26a_100102657272_100011216022 [0,2,0,0,0,0|1,0,0]=3 10670 B13R1.77 CCCCc1ccc(cc1)CNC 270004a_106832991635_100011219593 [0,2,0,0,0,0|1,0,0]=3 10671 B13R1.77 CCCCc1ccc(cc1)CNC 271570a_100020621405_100000180866 [0,2,0,0,0,0|1,0,0]=3 10672 B13R1.77 CCCCc1ccc(cc1)CNC 34a_100011216224_200000210301 [0,2,0,0,0,0|1,0,0]=3 10673 B13R1.77 CCCCc1ccc(cc1)CNC 34a_100102657272_100011934885 [0,2,0,0,0,0|1,0,0]=3 10674 B13R1.77 CCCCc1ccc(cc1)CNC 7a_106832991635_100011934885 [0,2,0,0,0,0|1,0,0]=3 10675 B13R1.77 CCCCc1ccc(cc1)CNN 271570a_100020621405_100016993955 [0,2,0,0,0,0|2,0,0]=4 10676 B13R1.77 CCCCc1ccc(cc1)CN[13CH3] 2230a_100011216224_200025704644 [0,2,0,0,0,0|1,0,0]=3 10677 B13R1.77 CCCCc1ccc(cc1)CN[13CH3] 34a_100011216224_200025704644 [0,2,0,0,0,0|1,0,0]=3 10678 B13R1.77 CCCCc1ccc(cc1)COC 271570a_100020621405_100011493685 [0,2,0,0,0,0|0,0,0]=2 10679 B13R1.77 CCCCc1ccc(cc1)COC 34a_100138415774_100011934885 [0,2,0,0,0,0|0,0,0]=2 10680 B13R1.77 CCCCc1ccc(cc1)COC 34a_200011217888_200000210301 [0,2,0,0,0,0|0,0,0]=2 10681 B13R1.77 CCCCc1ccc(cc1)COC 7a_200011217888_200000210301 [0,2,0,0,0,0|0,0,0]=2 10682 B13R1.77 CCCCc1ccc(cc1)CO[13CH3] 34a_200011217888_200025704644 [0,2,0,0,0,0|0,0,0]=2 10683 B13R1.77 CCCCc1ccc(cc1)CO[13CH3] 7a_200011217888_200025704644 [0,2,0,0,0,0|0,0,0]=2 10684 B13R1.77 CCCCc1ccc(cc1)CSC 62a_100011934885_200000210301 [0,2,0,0,0,0|0,1,0]=3 10685 B13R1.77 CCCCc1ccc(cc1)CSC 62a_200000210301_100011934885 [0,2,0,0,0,0|0,1,0]=3 10686 B13R1.77 CCCCc1ccc(cc1)CS[13CH3] 62a_100011934885_200025704644 [0,2,0,0,0,0|0,1,0]=3 10687 B13R1.77 CCCCc1ccc(cc1)CS[13CH3] 62a_200025704644_100011934885 [0,2,0,0,0,0|0,1,0]=3 10688 B13R1.77 CCCCc1ccc(cc1)N=[N+]=[N-] 271570a_100020621405_100000735661 [0,2,0,0,0,0|2,0,0]=4 10689 B13R1.77 CCCCc1ccc(cc1)NC#N 271570a_100020621405_100011685341 [0,2,0,0,0,0|1,0,1]=4 10690 B13R1.77 CCCCc1ccc(cc1)NCC 2230a_100000210628_100000210202 [0,2,0,0,0,0|1,0,0]=3 10691 B13R1.77 CCCCc1ccc(cc1)NCC 271570a_100020621405_100000219632 [0,2,0,0,0,0|1,0,0]=3 10692 B13R1.77 CCCCc1ccc(cc1)NCC 34a_100000210628_100000210202 [0,2,0,0,0,0|1,0,0]=3 10693 B13R1.77 CCCCc1ccc(cc1)NCF 34a_100000210628_100015361967 [0,2,0,0,0,0|1,0,0]=3 10694 B13R1.77 CCCCc1ccc(cc1)OCC 271570a_100020621405_100000169946 [0,2,0,0,0,0|0,0,0]=2 10695 B13R1.77 CCCCc1ccc(cc1)OCC 34a_100011216022_100000210202 [0,2,0,0,0,0|0,0,0]=2 10696 B13R1.77 CCCCc1ccc(cc1)OCC 7a_100011216022_100000210202 [0,2,0,0,0,0|0,0,0]=2 10697 B13R1.77 CCCCc1ccc(cc1)OCF 34a_100011216022_100015361967 [0,2,0,0,0,0|0,0,0]=2 10698 B13R1.77 CCCCc1ccc(cc1)OCF 7a_100011216022_100015361967 [0,2,0,0,0,0|0,0,0]=2 10699 B13R1.77 CCCCc1ccc(cc1)SCC 271570a_100020621405_200009811893 [0,2,0,0,0,0|0,1,0]=3 10700 B13R1.77 CCCCc1ccc(cc1)SCC 62a_100000210202_100011218101 [0,2,0,0,0,0|0,1,0]=3 10701 B13R1.77 CCCCc1ccc(cc1)SCC 62a_100011218101_100000210202 [0,2,0,0,0,0|0,1,0]=3 10702 B13R1.77 CCCCc1ccc(cc1)SCF 62a_100011218101_100015361967 [0,2,0,0,0,0|0,1,0]=3 10703 B13R1.77 CCCCc1ccc(cc1)SCF 62a_100015361967_100011218101 [0,2,0,0,0,0|0,1,0]=3 10704 B13R1.77 CCCCc1ccc(cn1)CCO 271570a_100020621405_100009880866 [0,2,0,0,0,0|2,0,0]=4 10705 B13R1.77 CCCCc1ccc(cn1)CNC 271570a_100020621405_100000026953 [0,2,0,0,0,0|2,0,0]=4 10706 B13R1.77 CCCCc1ccc(cn1)CSC 271570a_100020621405_100000753673 [0,2,0,0,0,0|1,1,0]=4 10707 B13R1.77 CCCCc1ccc(cn1)OCC 271570a_100020621405_100000753957 [0,2,0,0,0,0|1,0,0]=3 10708 B13R1.77 CCCCc1ccc(nc1)CCO 271570a_100020621405_100012357577 [0,2,0,0,0,0|2,0,0]=4 10709 B13R1.77 CCCCc1ccc(nc1)NCC 271570a_100020621405_100000741496 [0,2,0,0,0,0|2,0,0]=4 10710 B13R1.77 CCCCc1ccc(nc1)OCC 271570a_100020621405_100011219444 [0,2,0,0,0,0|1,0,0]=3 10711 B13R1.77 CCCCc1ccc(nc1)SCC 271570a_100020621405_100000690189 [0,2,0,0,0,0|1,1,0]=4 10712 B13R1.77 CCCCc1ccc(nn1)OCC 271570a_100020621405_100000757289 [0,2,0,0,0,0|2,0,0]=4 10713 B13R1.77 CCCCc1cnc(cn1)OCC 271570a_100020621405_200012356188 [0,2,0,0,0,0|2,0,0]=4 10714 B13R1.77 CCCCc1cnc(nc1)OCC 271570a_100020621405_100011934766 [0,2,0,0,0,0|2,0,0]=4 10715 B13R1.77 CCCCc1ncc(cn1)OCC 271570a_100020621405_100000099823 [0,2,0,0,0,0|2,0,0]=4 10716 B13R1.77 CCCNc1ccc(cc1)CC#N 34a_100000198999_100000210303 [0,2,0,0,0,0|1,0,1]=4 10717 B13R1.77 CCCNc1ccc(cc1)CCC 2230a_100000211780_100000210303 [0,2,0,0,0,0|1,0,0]=3 10718 B13R1.77 CCCNc1ccc(cc1)CCC 34a_100000211780_100000210303 [0,2,0,0,0,0|1,0,0]=3 10719 B13R1.77 CCCNc1ccc(cc1)CCO 2230a_100011204434_100000210303 [0,2,0,0,0,0|1,0,0]=3 10720 B13R1.77 CCCNc1ccc(cc1)CCO 34a_100011204434_100000210303 [0,2,0,0,0,0|1,0,0]=3 10721 B13R1.77 CCCNc1ccc(cc1)COC 34a_100000694113_100000210303 [0,2,0,0,0,0|0,0,0]=2 10722 B13R1.77 CCCNc1ccc(cc1)CSC 2230a_106726388226_100000210303 [0,2,0,0,0,0|0,1,0]=3 10723 B13R1.77 CCCNc1ccc(cc1)CSC 34a_106726388226_100000210303 [0,2,0,0,0,0|0,1,0]=3 10724 B13R1.77 CCCNc1ccc(cc1)CSC 7a_106726388226_100000210303 [0,2,0,0,0,0|0,1,0]=3 10725 B13R1.77 CCCNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_100000210303 [0,2,0,0,0,0|2,0,0]=4 10726 B13R1.77 CCCNc1ccc(cc1)OCC 2230a_100000739623_100000210303 [0,2,0,0,0,0|0,0,0]=2 10727 B13R1.77 CCCNc1ccc(cc1)OCC 34a_100000739623_100000210303 [0,2,0,0,0,0|0,0,0]=2 10728 B13R1.77 CCCNc1ccc(cc1)SCC 34a_100015187087_100000210303 [0,2,0,0,0,0|0,1,0]=3 10729 B13R1.77 CCCOc1ccc(cc1)CC#N 34a_100000198970_100000210303 [0,2,0,0,0,0|1,0,1]=4 10730 B13R1.77 CCCOc1ccc(cc1)CC#N 7a_100000198970_100000210303 [0,2,0,0,0,0|1,0,1]=4 10731 B13R1.77 CCCOc1ccc(cc1)CCBr 34a_100009816426_100000210303 [0,2,0,0,0,0|1,0,0]=3 10732 B13R1.77 CCCOc1ccc(cc1)CCBr 7a_100009816426_100000210303 [0,2,0,0,0,0|1,0,0]=3 10733 B13R1.77 CCCOc1ccc(cc1)CCC 34a_100000749406_100000210303 [0,2,0,0,0,0|0,0,0]=2 10734 B13R1.77 CCCOc1ccc(cc1)CCC 7a_100000749406_100000210303 [0,2,0,0,0,0|0,0,0]=2 10735 B13R1.77 CCCOc1ccc(cc1)CCN 34a_100000743037_100000210303 [0,2,0,0,0,0|1,0,0]=3 10736 B13R1.77 CCCOc1ccc(cc1)CCO 34a_100011215338_100000210303 [0,2,0,0,0,0|1,0,0]=3 10737 B13R1.77 CCCOc1ccc(cc1)CCO 7a_100011215338_100000210303 [0,2,0,0,0,0|1,0,0]=3 10738 B13R1.77 CCCOc1ccc(cc1)CNC 207a_100102657272_100000169838 [0,2,0,0,0,0|1,0,0]=3 10739 B13R1.77 CCCOc1ccc(cc1)CNC 2230a_106832991635_100000691472 [0,2,0,0,0,0|1,0,0]=3 10740 B13R1.77 CCCOc1ccc(cc1)CNC 270004a_106832991635_100000169838 [0,2,0,0,0,0|1,0,0]=3 10741 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100000207500_100000210303 [0,2,0,0,0,0|1,0,0]=3 10742 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100102657272_100000691472 [0,2,0,0,0,0|1,0,0]=3 10743 B13R1.77 CCCOc1ccc(cc1)CNC 7a_106832991635_100000691472 [0,2,0,0,0,0|1,0,0]=3 10744 B13R1.77 CCCOc1ccc(cc1)COC 34a_100000173360_200000210301 [0,2,0,0,0,0|0,0,0]=2 10745 B13R1.77 CCCOc1ccc(cc1)COC 34a_100138415774_100000691472 [0,2,0,0,0,0|0,0,0]=2 10746 B13R1.77 CCCOc1ccc(cc1)COC 34a_200011995677_100000210303 [0,2,0,0,0,0|0,0,0]=2 10747 B13R1.77 CCCOc1ccc(cc1)COC 7a_100000173360_200000210301 [0,2,0,0,0,0|0,0,0]=2 10748 B13R1.77 CCCOc1ccc(cc1)COC 7a_200011995677_100000210303 [0,2,0,0,0,0|0,0,0]=2 10749 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 34a_100000173360_200025704644 [0,2,0,0,0,0|0,0,0]=2 10750 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 7a_100000173360_200025704644 [0,2,0,0,0,0|0,0,0]=2 10751 B13R1.77 CCCOc1ccc(cc1)CSC 62a_200000210301_100000691472 [0,2,0,0,0,0|0,1,0]=3 10752 B13R1.77 CCCOc1ccc(cc1)CS[13CH3] 62a_200025704644_100000691472 [0,2,0,0,0,0|0,1,0]=3 10753 B13R1.77 CCCOc1ccc(cc1)NCC 34a_100000748631_100000210202 [0,2,0,0,0,0|1,0,0]=3 10754 B13R1.77 CCCOc1ccc(cc1)NCC 34a_100011337800_100000210303 [0,2,0,0,0,0|1,0,0]=3 10755 B13R1.77 CCCOc1ccc(cc1)NCC 7a_100011337800_100000210303 [0,2,0,0,0,0|1,0,0]=3 10756 B13R1.77 CCCOc1ccc(cc1)NCF 34a_100000748631_100015361967 [0,2,0,0,0,0|1,0,0]=3 10757 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185467_100000210303 [0,2,0,0,0,0|0,0,0]=2 10758 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185468_100000210202 [0,2,0,0,0,0|0,0,0]=2 10759 B13R1.77 CCCOc1ccc(cc1)OCC 7a_100000185468_100000210202 [0,2,0,0,0,0|0,0,0]=2 10760 B13R1.77 CCCOc1ccc(cc1)OCF 34a_100000185468_100015361967 [0,2,0,0,0,0|0,0,0]=2 10761 B13R1.77 CCCOc1ccc(cc1)OCF 7a_100000185468_100015361967 [0,2,0,0,0,0|0,0,0]=2 10762 B13R1.77 CCCOc1ccc(cc1)SCC 62a_100000169948_100000210202 [0,2,0,0,0,0|0,1,0]=3 10763 B13R1.77 CCCOc1ccc(cc1)SCC 62a_100000210202_100000169948 [0,2,0,0,0,0|0,1,0]=3 10764 B13R1.77 CCCOc1ccc(cc1)SCF 62a_100000169948_100015361967 [0,2,0,0,0,0|0,1,0]=3 10765 B13R1.77 CCCOc1ccc(cc1)SCF 62a_100015361967_100000169948 [0,2,0,0,0,0|0,1,0]=3 10766 B13R1.77 CCCOc1ccc(cn1)SCC 62a_100000210202_100011465619 [0,2,0,0,0,0|1,1,0]=4 10767 B13R1.77 CCCOc1ccc(cn1)SCC 62a_100011465619_100000210202 [0,2,0,0,0,0|1,1,0]=4 10768 B13R1.77 CCCOc1ccc(cn1)SCF 62a_100011465619_100015361967 [0,2,0,0,0,0|1,1,0]=4 10769 B13R1.77 CCCOc1ccc(cn1)SCF 62a_100015361967_100011465619 [0,2,0,0,0,0|1,1,0]=4 10770 B13R1.77 CCCOc1ccc(nc1)SCC 62a_100000210202_100000719977 [0,2,0,0,0,0|1,1,0]=4 10771 B13R1.77 CCCOc1ccc(nc1)SCC 62a_100000719977_100000210202 [0,2,0,0,0,0|1,1,0]=4 10772 B13R1.77 CCCOc1ccc(nc1)SCF 62a_100000719977_100015361967 [0,2,0,0,0,0|1,1,0]=4 10773 B13R1.77 CCCOc1ccc(nc1)SCF 62a_100015361967_100000719977 [0,2,0,0,0,0|1,1,0]=4 10774 B13R1.77 CCCSc1ccc(cc1)/C=C/Br 62a_100000210303_200016255901 [0,2,0,0,0,0|1,0,1]=4 10775 B13R1.77 CCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210303 [0,2,0,0,0,0|1,0,1]=4 10776 B13R1.77 CCCSc1ccc(cc1)CC#N 62a_100000210303_100011217881 [0,2,0,0,0,0|1,0,1]=4 10777 B13R1.77 CCCSc1ccc(cc1)CC#N 62a_100011217881_100000210303 [0,2,0,0,0,0|1,0,1]=4 10778 B13R1.77 CCCSc1ccc(cc1)CC=O 62a_100000210303_100011361690 [0,2,0,0,0,0|1,0,1]=4 10779 B13R1.77 CCCSc1ccc(cc1)CC=O 62a_100011361690_100000210303 [0,2,0,0,0,0|1,0,1]=4 10780 B13R1.77 CCCSc1ccc(cc1)CCC 62a_100000210303_100000750032 [0,2,0,0,0,0|0,1,0]=3 10781 B13R1.77 CCCSc1ccc(cc1)CCC 62a_100000750032_100000210303 [0,2,0,0,0,0|0,1,0]=3 10782 B13R1.77 CCCSc1ccc(cc1)CCN 62a_100000210303_100000755846 [0,2,0,0,0,0|1,0,0]=3 10783 B13R1.77 CCCSc1ccc(cc1)CCN 62a_100000755846_100000210303 [0,2,0,0,0,0|1,0,0]=3 10784 B13R1.77 CCCSc1ccc(cc1)CCO 62a_100000210303_100000766406 [0,2,0,0,0,0|1,0,0]=3 10785 B13R1.77 CCCSc1ccc(cc1)CCO 62a_100000766406_100000210303 [0,2,0,0,0,0|1,0,0]=3 10786 B13R1.77 CCCSc1ccc(cc1)CNC 62a_100000180866_100000210303 [0,2,0,0,0,0|1,0,0]=3 10787 B13R1.77 CCCSc1ccc(cc1)CNC 62a_100000210303_100000180866 [0,2,0,0,0,0|1,0,0]=3 10788 B13R1.77 CCCSc1ccc(cc1)CNN 62a_100000210303_100016993955 [0,2,0,0,0,0|2,0,0]=4 10789 B13R1.77 CCCSc1ccc(cc1)CNN 62a_100016993955_100000210303 [0,2,0,0,0,0|2,0,0]=4 10790 B13R1.77 CCCSc1ccc(cc1)COC 62a_100000210303_100011493685 [0,2,0,0,0,0|0,0,0]=2 10791 B13R1.77 CCCSc1ccc(cc1)COC 62a_100011493685_100000210303 [0,2,0,0,0,0|0,0,0]=2 10792 B13R1.77 CCCSc1ccc(cc1)N=[N+]=[N-] 62a_100000210303_100000735661 [0,2,0,0,0,0|2,0,0]=4 10793 B13R1.77 CCCSc1ccc(cc1)NC#N 62a_100000210303_100011685341 [0,2,0,0,0,0|1,0,1]=4 10794 B13R1.77 CCCSc1ccc(cc1)NCC 34a_100015183887_100000210202 [0,2,0,0,0,0|1,0,0]=3 10795 B13R1.77 CCCSc1ccc(cc1)NCC 62a_100000210303_100000219632 [0,2,0,0,0,0|1,0,0]=3 10796 B13R1.77 CCCSc1ccc(cc1)NCC 7a_100015183887_100000210202 [0,2,0,0,0,0|1,0,0]=3 10797 B13R1.77 CCCSc1ccc(cc1)NCF 34a_100015183887_100015361967 [0,2,0,0,0,0|1,0,0]=3 10798 B13R1.77 CCCSc1ccc(cc1)NCF 7a_100015183887_100015361967 [0,2,0,0,0,0|1,0,0]=3 10799 B13R1.77 CCCSc1ccc(cc1)OCC 62a_100000210303_100000171712 [0,2,0,0,0,0|0,0,0]=2 10800 B13R1.77 CCCSc1ccc(cc1)SCC 62a_100000210202_200009811899 [0,2,0,0,0,0|0,1,0]=3 10801 B13R1.77 CCCSc1ccc(cc1)SCC 62a_100000210303_200009811893 [0,2,0,0,0,0|0,1,0]=3 10802 B13R1.77 CCCSc1ccc(cc1)SCC 62a_200009811893_100000210303 [0,2,0,0,0,0|0,1,0]=3 10803 B13R1.77 CCCSc1ccc(cc1)SCC 62a_200009811899_100000210202 [0,2,0,0,0,0|0,1,0]=3 10804 B13R1.77 CCCSc1ccc(cc1)SCF 62a_100015361967_200009811899 [0,2,0,0,0,0|0,1,0]=3 10805 B13R1.77 CCCSc1ccc(cc1)SCF 62a_200009811899_100015361967 [0,2,0,0,0,0|0,1,0]=3 10806 B13R1.77 CCCSc1ccc(cn1)CCO 62a_100000210303_100009880866 [0,2,0,0,0,0|2,0,0]=4 10807 B13R1.77 CCCSc1ccc(cn1)CCO 62a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 10808 B13R1.77 CCCSc1ccc(cn1)CNC 62a_100000026953_100000210303 [0,2,0,0,0,0|2,0,0]=4 10809 B13R1.77 CCCSc1ccc(cn1)CNC 62a_100000210303_100000026953 [0,2,0,0,0,0|2,0,0]=4 10810 B13R1.77 CCCSc1ccc(cn1)CSC 62a_100000210303_100000753673 [0,2,0,0,0,0|1,1,0]=4 10811 B13R1.77 CCCSc1ccc(cn1)CSC 62a_100000753673_100000210303 [0,2,0,0,0,0|1,1,0]=4 10812 B13R1.77 CCCSc1ccc(cn1)OCC 62a_100000210303_100000753957 [0,2,0,0,0,0|1,0,0]=3 10813 B13R1.77 CCCSc1ccc(cn1)OCC 62a_100012355646_100000210303 [0,2,0,0,0,0|1,0,0]=3 10814 B13R1.77 CCCSc1ccc(nc1)CCO 62a_100000210303_100012357577 [0,2,0,0,0,0|2,0,0]=4 10815 B13R1.77 CCCSc1ccc(nc1)CCO 62a_100012357577_100000210303 [0,2,0,0,0,0|2,0,0]=4 10816 B13R1.77 CCCSc1ccc(nc1)NCC 62a_100000210303_100000741496 [0,2,0,0,0,0|2,0,0]=4 10817 B13R1.77 CCCSc1ccc(nc1)NCC 62a_100000741496_100000210303 [0,2,0,0,0,0|2,0,0]=4 10818 B13R1.77 CCCSc1ccc(nc1)OCC 62a_100000210303_100011219444 [0,2,0,0,0,0|1,0,0]=3 10819 B13R1.77 CCCSc1ccc(nc1)OCC 62a_100011219444_100000210303 [0,2,0,0,0,0|1,0,0]=3 10820 B13R1.77 CCCSc1ccc(nc1)SCC 62a_100000210303_100000690189 [0,2,0,0,0,0|1,1,0]=4 10821 B13R1.77 CCCSc1ccc(nc1)SCC 62a_100000690189_100000210303 [0,2,0,0,0,0|1,1,0]=4 10822 B13R1.77 CCCSc1ccc(nn1)OCC 62a_100000210303_100000757289 [0,2,0,0,0,0|2,0,0]=4 10823 B13R1.77 CCCSc1cnc(cn1)OCC 62a_100000210303_200012356188 [0,2,0,0,0,0|2,0,0]=4 10824 B13R1.77 CCCSc1cnc(cn1)OCC 62a_200012356188_100000210303 [0,2,0,0,0,0|2,0,0]=4 10825 B13R1.77 CCCSc1cnc(nc1)OCC 62a_100000210303_100011934766 [0,2,0,0,0,0|2,0,0]=4 10826 B13R1.77 CCCSc1cnc(nc1)OCC 62a_100011934766_100000210303 [0,2,0,0,0,0|2,0,0]=4 10827 B13R1.77 CCCSc1ncc(cn1)OCC 62a_100000099823_100000210303 [0,2,0,0,0,0|2,0,0]=4 10828 B13R1.77 CCCSc1ncc(cn1)OCC 62a_100000210303_100000099823 [0,2,0,0,0,0|2,0,0]=4 10829 B13R1.77 CCCc1ccc(cc1)CNCC 207a_100015525214_100000229940 [0,2,0,0,0,0|1,0,0]=3 10830 B13R1.77 CCCc1ccc(cc1)CNCC 2230a_100015525214_100011982809 [0,2,0,0,0,0|1,0,0]=3 10831 B13R1.77 CCCc1ccc(cc1)CNCC 2230a_100020632977_100000210202 [0,2,0,0,0,0|1,0,0]=3 10832 B13R1.77 CCCc1ccc(cc1)CNCC 270004a_100015525214_100000229940 [0,2,0,0,0,0|1,0,0]=3 10833 B13R1.77 CCCc1ccc(cc1)CNCC 34a_100020632977_100000210202 [0,2,0,0,0,0|1,0,0]=3 10834 B13R1.77 CCCc1ccc(cc1)CNCF 34a_100020632977_100015361967 [0,2,0,0,0,0|1,0,0]=3 10835 B13R1.77 CCCc1ccc(cc1)COCC 34a_100121572206_100011982809 [0,2,0,0,0,0|0,0,0]=2 10836 B13R1.77 CCCc1ccc(cc1)CSCC 62a_100000210202_100011982809 [0,2,0,0,0,0|0,1,0]=3 10837 B13R1.77 CCCc1ccc(cc1)CSCC 62a_100011982809_100000210202 [0,2,0,0,0,0|0,1,0]=3 10838 B13R1.77 CCCc1ccc(cc1)CSCF 62a_100011982809_100015361967 [0,2,0,0,0,0|0,1,0]=3 10839 B13R1.77 CCCc1ccc(cc1)CSCF 62a_100015361967_100011982809 [0,2,0,0,0,0|0,1,0]=3 10840 B13R1.77 CCCc1ccc(cc1)NCC#N 2230a_100000211780_100011215382 [0,2,0,0,0,0|1,0,0]=3 10841 B13R1.77 CCCc1ccc(cc1)NCC=O 2230a_100000211780_200015260668 [0,2,0,0,0,0|1,0,0]=3 10842 B13R1.77 CCCc1ccc(cc1)NCC=O 34a_100000211780_200009817547 [0,2,0,0,0,0|1,0,0]=3 10843 B13R1.77 CCCc1ccc(cc1)NCCF 2230a_100000211780_100011217306 [0,2,0,0,0,0|1,0,0]=3 10844 B13R1.77 CCCc1ccc(cc1)NCCF 34a_100000211780_100011217306 [0,2,0,0,0,0|1,0,0]=3 10845 B13R1.77 CCCc1ccc(cc1)NCCO 2230a_100000211780_100000211926 [0,2,0,0,0,0|1,0,0]=3 10846 B13R1.77 CCCc1ccc(cc1)NCCO 34a_100000211780_100000211926 [0,2,0,0,0,0|1,0,0]=3 10847 B13R1.77 CCCc1ccc(cc1)NCOC 2230a_100000211780_100000766300 [0,2,0,0,0,0|0,0,0]=2 10848 B13R1.77 CCCc1ccc(cc1)NCSC 2230a_100000211780_100011218213 [0,2,0,0,0,0|0,1,0]=3 10849 B13R1.77 CCCc1ccc(cc1)NCSC 34a_100000211780_100011218213 [0,2,0,0,0,0|0,1,0]=3 10850 B13R1.77 CCCc1ccc(cc1)OCC#N 7a_100000749406_100011215382 [0,2,0,0,0,0|0,0,0]=2 10851 B13R1.77 CCCc1ccc(cc1)OCC=O 34a_100000749406_200009817547 [0,2,0,0,0,0|0,0,0]=2 10852 B13R1.77 CCCc1ccc(cc1)OCC=O 7a_100000749406_200015260668 [0,2,0,0,0,0|0,0,0]=2 10853 B13R1.77 CCCc1ccc(cc1)OCCF 34a_100000749406_100011217306 [0,2,0,0,0,0|0,0,0]=2 10854 B13R1.77 CCCc1ccc(cc1)OCCF 7a_100000749406_100011217306 [0,2,0,0,0,0|0,0,0]=2 10855 B13R1.77 CCCc1ccc(cc1)OCCO 34a_100000749406_100000211926 [0,2,0,0,0,0|0,0,0]=2 10856 B13R1.77 CCCc1ccc(cc1)OCCO 7a_100000749406_100000211926 [0,2,0,0,0,0|0,0,0]=2 10857 B13R1.77 CCCc1ccc(cc1)OCSC 34a_100000749406_100011218213 [0,2,0,0,0,0|0,0,0]=2 10858 B13R1.77 CCCc1ccc(cc1)SCC#N 62a_100000750032_100011215382 [0,2,0,0,0,0|0,1,0]=3 10859 B13R1.77 CCCc1ccc(cc1)SCC#N 62a_100011215382_100000750032 [0,2,0,0,0,0|0,1,0]=3 10860 B13R1.77 CCCc1ccc(cc1)SCC=O 62a_100000750032_200015260668 [0,2,0,0,0,0|0,1,0]=3 10861 B13R1.77 CCCc1ccc(cc1)SCC=O 62a_200015260668_100000750032 [0,2,0,0,0,0|0,1,0]=3 10862 B13R1.77 CCCc1ccc(cc1)SCCF 62a_100000750032_100011217306 [0,2,0,0,0,0|0,1,0]=3 10863 B13R1.77 CCCc1ccc(cc1)SCCF 62a_100011217306_100000750032 [0,2,0,0,0,0|0,1,0]=3 10864 B13R1.77 CCCc1ccc(cc1)SCCO 62a_100000211926_100000750032 [0,2,0,0,0,0|0,1,0]=3 10865 B13R1.77 CCCc1ccc(cc1)SCCO 62a_100000750032_100000211926 [0,2,0,0,0,0|0,1,0]=3 10866 B13R1.77 CCCc1ccc(cc1)SCOC 62a_100000750032_100000766300 [0,2,0,0,0,0|0,0,0]=2 10867 B13R1.77 CCCc1ccc(cc1)SCOC 62a_100000766300_100000750032 [0,2,0,0,0,0|0,0,0]=2 10868 B13R1.77 CCCc1ccc(cc1)SCSC 62a_100000750032_100011218213 [0,2,0,0,0,0|0,1,0]=3 10869 B13R1.77 CCCc1ccc(cc1)SCSC 62a_100011218213_100000750032 [0,2,0,0,0,0|0,1,0]=3 10870 B13R1.77 CCCc1cnc(nc1)SCOC 62a_100000039067_100000766300 [0,2,0,0,0,0|2,0,0]=4 10871 B13R1.77 CCCc1cnc(nc1)SCOC 62a_100000766300_100000039067 [0,2,0,0,0,0|2,0,0]=4 10872 B13R1.77 CCNCc1ccc(cc1)COC 2230a_100000738208_100000210202 [0,2,0,0,0,0|0,0,0]=2 10873 B13R1.77 CCNCc1ccc(cc1)COC 34a_100000738208_100000210202 [0,2,0,0,0,0|0,0,0]=2 10874 B13R1.77 CCNCc1ccc(cc1)OCC 207a_100015525214_100000169836 [0,2,0,0,0,0|0,0,0]=2 10875 B13R1.77 CCNCc1ccc(cc1)OCC 2230a_100000185588_100000210202 [0,2,0,0,0,0|0,0,0]=2 10876 B13R1.77 CCNCc1ccc(cc1)OCC 270004a_100015525214_100000169836 [0,2,0,0,0,0|0,0,0]=2 10877 B13R1.77 CCNCc1ccc(cc1)OCC 34a_100000185588_100000210202 [0,2,0,0,0,0|0,0,0]=2 10878 B13R1.77 CCNCc1ccc(cc1)OCC 34a_100000748449_100000210202 [0,2,0,0,0,0|0,0,0]=2 10879 B13R1.77 CCNCc1ccc(cc1)OCF 34a_100000748449_100015361967 [0,2,0,0,0,0|0,0,0]=2 10880 B13R1.77 CCNCc1ccc(cc1)SCC 62a_100000187385_100000210202 [0,2,0,0,0,0|0,1,0]=3 10881 B13R1.77 CCNCc1ccc(cc1)SCC 62a_100000210202_100000187385 [0,2,0,0,0,0|0,1,0]=3 10882 B13R1.77 CCNCc1ccc(cc1)SCF 62a_100000187385_100015361967 [0,2,0,0,0,0|0,1,0]=3 10883 B13R1.77 CCNCc1ccc(cc1)SCF 62a_100015361967_100000187385 [0,2,0,0,0,0|0,1,0]=3 10884 B13R1.77 CCNCc1ccc(nc1)OCC 207a_100015525214_100012002837 [0,2,0,0,0,0|1,0,0]=3 10885 B13R1.77 CCNCc1ccc(nc1)OCC 2230a_100102710506_100000210202 [0,2,0,0,0,0|1,0,0]=3 10886 B13R1.77 CCNCc1ccc(nc1)OCC 270004a_100015525214_100012002837 [0,2,0,0,0,0|1,0,0]=3 10887 B13R1.77 CCNCc1cnc(nc1)COC 207a_100015525214_200011746662 [0,2,0,0,0,0|2,0,0]=4 10888 B13R1.77 CCNCc1cnc(nc1)COC 270004a_100015525214_200011746662 [0,2,0,0,0,0|2,0,0]=4 10889 B13R1.77 CCNc1ccc(cc1)CCSC 2230a_100000750819_100000210202 [0,2,0,0,0,0|1,0,0]=3 10890 B13R1.77 CCNc1ccc(cc1)CCSC 34a_100000750819_100000210202 [0,2,0,0,0,0|1,0,0]=3 10891 B13R1.77 CCNc1ccc(cc1)CCSC 7a_100000750819_100000210202 [0,2,0,0,0,0|1,0,0]=3 10892 B13R1.77 CCNc1ccc(cc1)OCC#N 7a_100011337800_100011215382 [0,2,0,0,0,0|1,0,0]=3 10893 B13R1.77 CCNc1ccc(cc1)OCC=O 34a_100011337800_200009817547 [0,2,0,0,0,0|1,0,0]=3 10894 B13R1.77 CCNc1ccc(cc1)OCC=O 7a_100011337800_200015260668 [0,2,0,0,0,0|1,0,0]=3 10895 B13R1.77 CCNc1ccc(cc1)OCCF 34a_100011337800_100011217306 [0,2,0,0,0,0|1,0,0]=3 10896 B13R1.77 CCNc1ccc(cc1)OCCF 34a_100012282086_100000210202 [0,2,0,0,0,0|1,0,0]=3 10897 B13R1.77 CCNc1ccc(cc1)OCCF 7a_100011337800_100011217306 [0,2,0,0,0,0|1,0,0]=3 10898 B13R1.77 CCNc1ccc(cc1)OCCO 2230a_100000754363_100000210202 [0,2,0,0,0,0|1,0,0]=3 10899 B13R1.77 CCNc1ccc(cc1)OCCO 34a_100000754363_100000210202 [0,2,0,0,0,0|1,0,0]=3 10900 B13R1.77 CCNc1ccc(cc1)OCCO 34a_100011337800_100000211926 [0,2,0,0,0,0|1,0,0]=3 10901 B13R1.77 CCNc1ccc(cc1)OCCO 7a_100011337800_100000211926 [0,2,0,0,0,0|1,0,0]=3 10902 B13R1.77 CCNc1ccc(cc1)OCSC 34a_100011337800_100011218213 [0,2,0,0,0,0|1,0,0]=3 10903 B13R1.77 CCNc1ccc(cc1)SCC#N 62a_100011215382_100000219632 [0,2,0,0,0,0|1,1,0]=4 10904 B13R1.77 CCNc1ccc(cc1)SCC=O 62a_200015260668_100000219632 [0,2,0,0,0,0|1,1,0]=4 10905 B13R1.77 CCNc1ccc(cc1)SCCF 62a_100011217306_100000219632 [0,2,0,0,0,0|1,1,0]=4 10906 B13R1.77 CCNc1ccc(cc1)SCCO 62a_100000211926_100000219632 [0,2,0,0,0,0|1,1,0]=4 10907 B13R1.77 CCNc1ccc(cc1)SCOC 62a_100000766300_100000219632 [0,2,0,0,0,0|1,0,0]=3 10908 B13R1.77 CCNc1ccc(cc1)SCSC 62a_100011218213_100000219632 [0,2,0,0,0,0|1,1,0]=4 10909 B13R1.77 CCNc1ccc(cn1)SCOC 62a_100000741496_100000766300 [0,2,0,0,0,0|2,0,0]=4 10910 B13R1.77 CCNc1ccc(cn1)SCOC 62a_100000766300_100000741496 [0,2,0,0,0,0|2,0,0]=4 10911 B13R1.77 CCOCc1ccc(cc1)CC#N 7a_100000695229_100000210202 [0,2,0,0,0,0|1,0,1]=4 10912 B13R1.77 CCOCc1ccc(cc1)CNC 2230a_100000737407_200000210301 [0,2,0,0,0,0|1,0,0]=3 10913 B13R1.77 CCOCc1ccc(cc1)CNC 34a_100000737407_200000210301 [0,2,0,0,0,0|1,0,0]=3 10914 B13R1.77 CCOCc1ccc(cc1)CN[13CH3] 2230a_100000737407_200025704644 [0,2,0,0,0,0|1,0,0]=3 10915 B13R1.77 CCOCc1ccc(cc1)CN[13CH3] 34a_100000737407_200025704644 [0,2,0,0,0,0|1,0,0]=3 10916 B13R1.77 CCOCc1ccc(cc1)OCC 34a_100000173027_100000210202 [0,2,0,0,0,0|0,0,0]=2 10917 B13R1.77 CCOCc1ccc(cc1)OCC 7a_100000173027_100000210202 [0,2,0,0,0,0|0,0,0]=2 10918 B13R1.77 CCOCc1ccc(cc1)SCC 62a_100000210202_100000758564 [0,2,0,0,0,0|0,1,0]=3 10919 B13R1.77 CCOCc1ccc(cc1)SCC 62a_100000758564_100000210202 [0,2,0,0,0,0|0,1,0]=3 10920 B13R1.77 CCOCc1ccc(cc1)SCF 62a_100000758564_100015361967 [0,2,0,0,0,0|0,1,0]=3 10921 B13R1.77 CCOCc1ccc(cc1)SCF 62a_100015361967_100000758564 [0,2,0,0,0,0|0,1,0]=3 10922 B13R1.77 CCOCc1ccc(cn1)OCC 34a_200012645146_100000210202 [0,2,0,0,0,0|1,0,0]=3 10923 B13R1.77 CCOCc1ccc(nc1)SCC 62a_100000210202_100011206209 [0,2,0,0,0,0|1,1,0]=4 10924 B13R1.77 CCOCc1ccc(nc1)SCC 62a_100011206209_100000210202 [0,2,0,0,0,0|1,1,0]=4 10925 B13R1.77 CCOCc1ccc(nc1)SCF 62a_100011206209_100015361967 [0,2,0,0,0,0|1,1,0]=4 10926 B13R1.77 CCOCc1ccc(nc1)SCF 62a_100015361967_100011206209 [0,2,0,0,0,0|1,1,0]=4 10927 B13R1.77 CCOc1ccc(cc1)CCC#N 34a_200011217972_100000210202 [0,2,0,0,0,0|0,0,1]=3 10928 B13R1.77 CCOc1ccc(cc1)CCC#N 7a_200011217972_100000210202 [0,2,0,0,0,0|0,0,1]=3 10929 B13R1.77 CCOc1ccc(cc1)CCCO 34a_100011215268_100000210202 [0,2,0,0,0,0|0,0,0]=2 10930 B13R1.77 CCOc1ccc(cc1)CCCO 7a_100011215268_100000210202 [0,2,0,0,0,0|0,0,0]=2 10931 B13R1.77 CCOc1ccc(cc1)CCNC 2230a_100011194255_200000210301 [0,2,0,0,0,0|0,0,0]=2 10932 B13R1.77 CCOc1ccc(cc1)CCNC 34a_100011194255_200000210301 [0,2,0,0,0,0|0,0,0]=2 10933 B13R1.77 CCOc1ccc(cc1)CCNC 34a_100016989440_100000210202 [0,2,0,0,0,0|0,0,0]=2 10934 B13R1.77 CCOc1ccc(cc1)CCN[13CH3] 2230a_100011194255_200025704644 [0,2,0,0,0,0|0,0,0]=2 10935 B13R1.77 CCOc1ccc(cc1)CCN[13CH3] 34a_100011194255_200025704644 [0,2,0,0,0,0|0,0,0]=2 10936 B13R1.77 CCOc1ccc(cc1)CCOC 34a_100000211638_100000210202 [0,2,0,0,0,0|0,0,0]=2 10937 B13R1.77 CCOc1ccc(cc1)CCOC 34a_100011217992_200000210301 [0,2,0,0,0,0|0,0,0]=2 10938 B13R1.77 CCOc1ccc(cc1)CCOC 7a_100000211638_100000210202 [0,2,0,0,0,0|0,0,0]=2 10939 B13R1.77 CCOc1ccc(cc1)CCOC 7a_100011217992_200000210301 [0,2,0,0,0,0|0,0,0]=2 10940 B13R1.77 CCOc1ccc(cc1)CCO[13CH3] 34a_100011217992_200025704644 [0,2,0,0,0,0|0,0,0]=2 10941 B13R1.77 CCOc1ccc(cc1)CCO[13CH3] 7a_100011217992_200025704644 [0,2,0,0,0,0|0,0,0]=2 10942 B13R1.77 CCOc1ccc(cc1)CNCF 34a_100000185588_100015361967 [0,2,0,0,0,0|1,0,0]=3 10943 B13R1.77 CCOc1ccc(cc1)COCF 34a_100000173027_100015361967 [0,2,0,0,0,0|1,0,0]=3 10944 B13R1.77 CCOc1ccc(cc1)COCF 7a_100000173027_100015361967 [0,2,0,0,0,0|1,0,0]=3 10945 B13R1.77 CCOc1ccc(cc1)NCC#N 2230a_100000739623_100011215382 [0,2,0,0,0,0|1,0,1]=4 10946 B13R1.77 CCOc1ccc(cc1)NCC=O 2230a_100000739623_200015260668 [0,2,0,0,0,0|1,0,1]=4 10947 B13R1.77 CCOc1ccc(cc1)NCC=O 34a_100000739623_200009817547 [0,2,0,0,0,0|1,0,1]=4 10948 B13R1.77 CCOc1ccc(cc1)NCCF 2230a_100000739623_100011217306 [0,2,0,0,0,0|1,0,0]=3 10949 B13R1.77 CCOc1ccc(cc1)NCCF 34a_100000739623_100011217306 [0,2,0,0,0,0|1,0,0]=3 10950 B13R1.77 CCOc1ccc(cc1)NCCO 2230a_100000739623_100000211926 [0,2,0,0,0,0|1,0,0]=3 10951 B13R1.77 CCOc1ccc(cc1)NCCO 34a_100000739623_100000211926 [0,2,0,0,0,0|1,0,0]=3 10952 B13R1.77 CCOc1ccc(cc1)NCOC 2230a_100000739623_100000766300 [0,2,0,0,0,0|1,0,0]=3 10953 B13R1.77 CCOc1ccc(cc1)NCSC 2230a_100000739623_100011218213 [0,2,0,0,0,0|1,0,0]=3 10954 B13R1.77 CCOc1ccc(cc1)NCSC 34a_100000739623_100011218213 [0,2,0,0,0,0|1,0,0]=3 10955 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [0,2,0,0,0,0|1,0,0]=3 10956 B13R1.77 CCOc1ccc(cc1)OCCF 34a_100000185467_100011217306 [0,2,0,0,0,0|1,0,0]=3 10957 B13R1.77 CCOc1ccc(cc1)OCCO 34a_100000185467_100000211926 [0,2,0,0,0,0|1,0,0]=3 10958 B13R1.77 CCOc1ccc(cc1)OCOC 34a_200012265912_100000210202 [0,2,0,0,0,0|1,0,0]=3 10959 B13R1.77 CCOc1ccc(cc1)OCSC 34a_100000185467_100011218213 [0,2,0,0,0,0|1,0,0]=3 10960 B13R1.77 CCOc1ccc(cc1)SCC#N 62a_100011215382_100000171712 [0,2,0,0,0,0|1,0,1]=4 10961 B13R1.77 CCOc1ccc(cc1)SCC=O 62a_200015260668_100000171712 [0,2,0,0,0,0|1,0,1]=4 10962 B13R1.77 CCOc1ccc(cc1)SCCF 62a_100011217306_100000171712 [0,2,0,0,0,0|1,0,0]=3 10963 B13R1.77 CCOc1ccc(cc1)SCCO 62a_100000211926_100000171712 [0,2,0,0,0,0|1,0,0]=3 10964 B13R1.77 CCOc1ccc(cc1)SCOC 62a_100000766300_100000171712 [0,2,0,0,0,0|1,0,0]=3 10965 B13R1.77 CCOc1ccc(cc1)SCSC 62a_100011218213_100000171712 [0,2,0,0,0,0|1,0,0]=3 10966 B13R1.77 CCOc1ccc(cn1)SCCF 62a_100011217306_100011219444 [0,2,0,0,0,0|2,0,0]=4 10967 B13R1.77 CCOc1ccc(cn1)SCCF 62a_100011219444_100011217306 [0,2,0,0,0,0|2,0,0]=4 10968 B13R1.77 CCOc1ccc(cn1)SCCO 62a_100000211926_100011219444 [0,2,0,0,0,0|2,0,0]=4 10969 B13R1.77 CCOc1ccc(cn1)SCCO 62a_100011219444_100000211926 [0,2,0,0,0,0|2,0,0]=4 10970 B13R1.77 CCOc1ccc(cn1)SCOC 62a_100000766300_100011219444 [0,2,0,0,0,0|2,0,0]=4 10971 B13R1.77 CCOc1ccc(cn1)SCOC 62a_100011219444_100000766300 [0,2,0,0,0,0|2,0,0]=4 10972 B13R1.77 CCOc1ccc(cn1)SCSC 62a_100011218213_100011219444 [0,2,0,0,0,0|2,0,0]=4 10973 B13R1.77 CCOc1ccc(cn1)SCSC 62a_100011219444_100011218213 [0,2,0,0,0,0|2,0,0]=4 10974 B13R1.77 CCOc1ccc(nc1)COCF 34a_200012645146_100015361967 [0,2,0,0,0,0|2,0,0]=4 10975 B13R1.77 CCOc1ccc(nc1)SCCF 62a_100011217306_100000753957 [0,2,0,0,0,0|2,0,0]=4 10976 B13R1.77 CCOc1ccc(nc1)SCCF 62a_100012355646_100011217306 [0,2,0,0,0,0|2,0,0]=4 10977 B13R1.77 CCOc1ccc(nc1)SCCO 62a_100000211926_100000753957 [0,2,0,0,0,0|2,0,0]=4 10978 B13R1.77 CCOc1ccc(nc1)SCCO 62a_100012355646_100000211926 [0,2,0,0,0,0|2,0,0]=4 10979 B13R1.77 CCOc1ccc(nc1)SCOC 62a_100000766300_100000753957 [0,2,0,0,0,0|2,0,0]=4 10980 B13R1.77 CCOc1ccc(nc1)SCOC 62a_100012355646_100000766300 [0,2,0,0,0,0|2,0,0]=4 10981 B13R1.77 CCOc1ccc(nc1)SCSC 62a_100011218213_100000753957 [0,2,0,0,0,0|2,0,0]=4 10982 B13R1.77 CCOc1ccc(nc1)SCSC 62a_100012355646_100011218213 [0,2,0,0,0,0|2,0,0]=4 10983 B13R1.77 CCSc1ccc(cc1)C#CCO 62a_100000210202_100009814260 [0,2,0,0,0,0|2,0,0]=4 10984 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100000210202_100020630460 [0,2,0,0,0,0|1,0,0]=3 10985 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100020630460_100000210202 [0,2,0,0,0,0|1,0,0]=3 10986 B13R1.77 CCSc1ccc(cc1)CCC#N 62a_100000210202_100011216407 [0,2,0,0,0,0|0,1,1]=4 10987 B13R1.77 CCSc1ccc(cc1)CCC#N 62a_100011216407_100000210202 [0,2,0,0,0,0|0,1,1]=4 10988 B13R1.77 CCSc1ccc(cc1)CCC=O 62a_100000210202_100011361538 [0,2,0,0,0,0|0,1,1]=4 10989 B13R1.77 CCSc1ccc(cc1)CCC=O 62a_100011361538_100000210202 [0,2,0,0,0,0|0,1,1]=4 10990 B13R1.77 CCSc1ccc(cc1)CCCN 62a_100000210202_100011297623 [0,2,0,0,0,0|0,1,0]=3 10991 B13R1.77 CCSc1ccc(cc1)CCCN 62a_100011297623_100000210202 [0,2,0,0,0,0|0,1,0]=3 10992 B13R1.77 CCSc1ccc(cc1)CCCO 62a_100000210202_100011709247 [0,2,0,0,0,0|0,1,0]=3 10993 B13R1.77 CCSc1ccc(cc1)CCCO 62a_100011709247_100000210202 [0,2,0,0,0,0|0,1,0]=3 10994 B13R1.77 CCSc1ccc(cc1)CCNC 62a_100000210202_100000752880 [0,2,0,0,0,0|0,1,0]=3 10995 B13R1.77 CCSc1ccc(cc1)CCNC 62a_100000752880_100000210202 [0,2,0,0,0,0|0,1,0]=3 10996 B13R1.77 CCSc1ccc(cc1)CCOC 62a_100000210202_100000739703 [0,2,0,0,0,0|0,1,0]=3 10997 B13R1.77 CCSc1ccc(cc1)CCOC 62a_100000739703_100000210202 [0,2,0,0,0,0|0,1,0]=3 10998 B13R1.77 CCSc1ccc(cc1)NCC=O 34a_100015187087_200009817547 [0,2,0,0,0,0|2,0,0]=4 10999 B13R1.77 CCSc1ccc(cc1)NCCF 34a_100015187087_100011217306 [0,2,0,0,0,0|1,1,0]=4 11000 B13R1.77 CCSc1ccc(cc1)NCCO 34a_100015187087_100000211926 [0,2,0,0,0,0|1,1,0]=4 11001 B13R1.77 CCSc1ccc(cc1)NCSC 34a_100015187087_100011218213 [0,2,0,0,0,0|1,1,0]=4 11002 B13R1.77 CCSc1ccc(cc1)OCC#N 62a_100000210202_200000169425 [0,2,0,0,0,0|1,0,0]=3 11003 B13R1.77 CCSc1ccc(cc1)OCC#N 62a_200000169425_100000210202 [0,2,0,0,0,0|1,0,0]=3 11004 B13R1.77 CCSc1ccc(cc1)OCCF 62a_100000210202_100012347556 [0,2,0,0,0,0|1,0,0]=3 11005 B13R1.77 CCSc1ccc(cc1)OCCF 62a_100012347556_100000210202 [0,2,0,0,0,0|1,0,0]=3 11006 B13R1.77 CCSc1ccc(cc1)OCCN 62a_100000210202_100000746992 [0,2,0,0,0,0|1,0,0]=3 11007 B13R1.77 CCSc1ccc(cc1)OCCN 62a_100000746992_100000210202 [0,2,0,0,0,0|1,0,0]=3 11008 B13R1.77 CCSc1ccc(cc1)OCCO 62a_100000210202_100000686261 [0,2,0,0,0,0|1,0,0]=3 11009 B13R1.77 CCSc1ccc(cc1)OCCO 62a_100000686261_100000210202 [0,2,0,0,0,0|1,0,0]=3 11010 B13R1.77 CCSc1ccc(cc1)OCOC 62a_100000210202_100012265687 [0,2,0,0,0,0|1,0,0]=3 11011 B13R1.77 CCSc1ccc(cc1)OCOC 62a_100012265687_100000210202 [0,2,0,0,0,0|1,0,0]=3 11012 B13R1.77 CCSc1ccc(cc1)SCC#N 62a_100011215382_200009811893 [0,2,0,0,0,0|1,1,0]=4 11013 B13R1.77 CCSc1ccc(cc1)SCC#N 62a_200009811893_100011215382 [0,2,0,0,0,0|1,1,0]=4 11014 B13R1.77 CCSc1ccc(cc1)SCC=O 62a_200009811893_200015260668 [0,2,0,0,0,0|1,1,0]=4 11015 B13R1.77 CCSc1ccc(cc1)SCC=O 62a_200015260668_200009811893 [0,2,0,0,0,0|1,1,0]=4 11016 B13R1.77 CCSc1ccc(cc1)SCCF 62a_100011217306_200009811893 [0,2,0,0,0,0|1,1,0]=4 11017 B13R1.77 CCSc1ccc(cc1)SCCF 62a_200009811893_100011217306 [0,2,0,0,0,0|1,1,0]=4 11018 B13R1.77 CCSc1ccc(cc1)SCCN 62a_100000184645_100000210202 [0,2,0,0,0,0|1,1,0]=4 11019 B13R1.77 CCSc1ccc(cc1)SCCN 62a_100000210202_100000184645 [0,2,0,0,0,0|1,1,0]=4 11020 B13R1.77 CCSc1ccc(cc1)SCCO 62a_100000211926_200009811893 [0,2,0,0,0,0|1,1,0]=4 11021 B13R1.77 CCSc1ccc(cc1)SCCO 62a_200009811893_100000211926 [0,2,0,0,0,0|1,1,0]=4 11022 B13R1.77 CCSc1ccc(cc1)SCOC 62a_100000766300_200009811893 [0,2,0,0,0,0|1,0,0]=3 11023 B13R1.77 CCSc1ccc(cc1)SCOC 62a_200009811893_100000766300 [0,2,0,0,0,0|1,0,0]=3 11024 B13R1.77 CCSc1ccc(cc1)SCSC 62a_100011218213_200009811893 [0,2,0,0,0,0|1,1,0]=4 11025 B13R1.77 CCSc1ccc(cc1)SCSC 62a_200009811893_100011218213 [0,2,0,0,0,0|1,1,0]=4 11026 B13R1.77 CCSc1ccc(cn1)OCCO 62a_100000210202_200013150534 [0,2,0,0,0,0|2,0,0]=4 11027 B13R1.77 CCSc1ccc(cn1)OCCO 62a_200013150534_100000210202 [0,2,0,0,0,0|2,0,0]=4 11028 B13R1.77 CCSc1ccc(cn1)OCOC 62a_100000210202_100012568617 [0,2,0,0,0,0|2,0,0]=4 11029 B13R1.77 CCSc1ccc(cn1)OCOC 62a_100012568617_100000210202 [0,2,0,0,0,0|2,0,0]=4 11030 B13R1.77 CCSc1ccc(cn1)SCOC 62a_100000690189_100000766300 [0,2,0,0,0,0|2,0,0]=4 11031 B13R1.77 CCSc1ccc(cn1)SCOC 62a_100000766300_100000690189 [0,2,0,0,0,0|2,0,0]=4 11032 B13R1.77 CNCCc1ccc(cc1)CNC 26a_100102657272_100016989440 [0,2,0,0,0,0|1,0,0]=3 11033 B13R1.77 CNCCc1ccc(cc1)OCF 34a_100016989440_100015361967 [0,2,0,0,0,0|0,0,0]=2 11034 B13R1.77 CNCCc1ccc(cc1)SCF 62a_100000752880_100015361967 [0,2,0,0,0,0|0,1,0]=3 11035 B13R1.77 CNCCc1ccc(cc1)SCF 62a_100015361967_100000752880 [0,2,0,0,0,0|0,1,0]=3 11036 B13R1.77 CNCc1ccc(cc1)CCCO 26a_100102657272_100011215268 [0,2,0,0,0,0|1,0,0]=3 11037 B13R1.77 CNCc1ccc(cc1)CCOC 26a_100102657272_100000211638 [0,2,0,0,0,0|1,0,0]=3 11038 B13R1.77 CNCc1ccc(cc1)OCC#N 207a_100102657272_100000169417 [0,2,0,0,0,0|1,0,0]=3 11039 B13R1.77 CNCc1ccc(cc1)OCC#N 270004a_106832991635_100000169417 [0,2,0,0,0,0|1,0,0]=3 11040 B13R1.77 CNCc1ccc(cc1)OCC=O 34a_100000207500_200009817547 [0,2,0,0,0,0|1,0,0]=3 11041 B13R1.77 CNCc1ccc(cc1)OCCF 34a_100000207500_100011217306 [0,2,0,0,0,0|1,0,0]=3 11042 B13R1.77 CNCc1ccc(cc1)OCCO 207a_100102657272_100011219967 [0,2,0,0,0,0|1,0,0]=3 11043 B13R1.77 CNCc1ccc(cc1)OCCO 270004a_106832991635_100011219967 [0,2,0,0,0,0|1,0,0]=3 11044 B13R1.77 CNCc1ccc(cc1)OCCO 34a_100000207500_100000211926 [0,2,0,0,0,0|1,0,0]=3 11045 B13R1.77 CNCc1ccc(cc1)OCSC 34a_100000207500_100011218213 [0,2,0,0,0,0|1,0,0]=3 11046 B13R1.77 CNCc1ccc(cc1)SCC#N 62a_100000180866_100011215382 [0,2,0,0,0,0|1,1,0]=4 11047 B13R1.77 CNCc1ccc(cc1)SCC#N 62a_100011215382_100000180866 [0,2,0,0,0,0|1,1,0]=4 11048 B13R1.77 CNCc1ccc(cc1)SCC=O 62a_100000180866_200015260668 [0,2,0,0,0,0|1,1,0]=4 11049 B13R1.77 CNCc1ccc(cc1)SCC=O 62a_200015260668_100000180866 [0,2,0,0,0,0|1,1,0]=4 11050 B13R1.77 CNCc1ccc(cc1)SCCF 62a_100000180866_100011217306 [0,2,0,0,0,0|1,1,0]=4 11051 B13R1.77 CNCc1ccc(cc1)SCCF 62a_100011217306_100000180866 [0,2,0,0,0,0|1,1,0]=4 11052 B13R1.77 CNCc1ccc(cc1)SCCO 62a_100000180866_100000211926 [0,2,0,0,0,0|1,1,0]=4 11053 B13R1.77 CNCc1ccc(cc1)SCCO 62a_100000211926_100000180866 [0,2,0,0,0,0|1,1,0]=4 11054 B13R1.77 CNCc1ccc(cc1)SCOC 62a_100000180866_100000766300 [0,2,0,0,0,0|1,0,0]=3 11055 B13R1.77 CNCc1ccc(cc1)SCOC 62a_100000766300_100000180866 [0,2,0,0,0,0|1,0,0]=3 11056 B13R1.77 CNCc1ccc(cc1)SCSC 62a_100000180866_100011218213 [0,2,0,0,0,0|1,1,0]=4 11057 B13R1.77 CNCc1ccc(cc1)SCSC 62a_100011218213_100000180866 [0,2,0,0,0,0|1,1,0]=4 11058 B13R1.77 CNCc1ccc(nc1)SCOC 62a_100000026953_100000766300 [0,2,0,0,0,0|2,0,0]=4 11059 B13R1.77 CNCc1ccc(nc1)SCOC 62a_100000766300_100000026953 [0,2,0,0,0,0|2,0,0]=4 11060 B13R1.77 COC=Cc1ccc(cc1)SCF 62a_100015361967_100020630460 [0,2,0,0,0,0|2,0,0]=4 11061 B13R1.77 COC=Cc1ccc(cc1)SCF 62a_100020630460_100015361967 [0,2,0,0,0,0|2,0,0]=4 11062 B13R1.77 COCCc1ccc(cc1)OCF 34a_100000211638_100015361967 [0,2,0,0,0,0|0,0,0]=2 11063 B13R1.77 COCCc1ccc(cc1)OCF 7a_100000211638_100015361967 [0,2,0,0,0,0|0,0,0]=2 11064 B13R1.77 COCCc1ccc(cc1)SCF 62a_100000739703_100015361967 [0,2,0,0,0,0|0,1,0]=3 11065 B13R1.77 COCCc1ccc(cc1)SCF 62a_100015361967_100000739703 [0,2,0,0,0,0|0,1,0]=3 11066 B13R1.77 COCNc1ccc(cc1)CCO 2230a_100011204434_100000766300 [0,2,0,0,0,0|1,0,0]=3 11067 B13R1.77 COCNc1ccc(cc1)CSC 2230a_106726388226_100000766300 [0,2,0,0,0,0|1,0,0]=3 11068 B13R1.77 COCOc1ccc(cc1)OCF 34a_200012265912_100015361967 [0,2,0,0,0,0|1,0,0]=3 11069 B13R1.77 COCOc1ccc(cc1)SCF 62a_100012265687_100015361967 [0,2,0,0,0,0|1,1,0]=4 11070 B13R1.77 COCOc1ccc(cc1)SCF 62a_100015361967_100012265687 [0,2,0,0,0,0|1,1,0]=4 11071 B13R1.77 COCSc1ccc(cc1)CC#N 62a_100000766300_100011217881 [0,2,0,0,0,0|1,0,1]=4 11072 B13R1.77 COCSc1ccc(cc1)CC#N 62a_100011217881_100000766300 [0,2,0,0,0,0|1,0,1]=4 11073 B13R1.77 COCSc1ccc(cc1)CC=O 62a_100000766300_100011361690 [0,2,0,0,0,0|1,0,1]=4 11074 B13R1.77 COCSc1ccc(cc1)CC=O 62a_100011361690_100000766300 [0,2,0,0,0,0|1,0,1]=4 11075 B13R1.77 COCSc1ccc(cc1)CCN 62a_100000755846_100000766300 [0,2,0,0,0,0|1,0,0]=3 11076 B13R1.77 COCSc1ccc(cc1)CCN 62a_100000766300_100000755846 [0,2,0,0,0,0|1,0,0]=3 11077 B13R1.77 COCSc1ccc(cc1)CCO 62a_100000766300_100000766406 [0,2,0,0,0,0|1,0,0]=3 11078 B13R1.77 COCSc1ccc(cc1)CCO 62a_100000766406_100000766300 [0,2,0,0,0,0|1,0,0]=3 11079 B13R1.77 COCSc1ccc(cc1)CNN 62a_100000766300_100016993955 [0,2,0,0,0,0|2,0,0]=4 11080 B13R1.77 COCSc1ccc(cc1)CNN 62a_100016993955_100000766300 [0,2,0,0,0,0|2,0,0]=4 11081 B13R1.77 COCSc1ccc(cc1)COC 62a_100000766300_100011493685 [0,2,0,0,0,0|1,0,0]=3 11082 B13R1.77 COCSc1ccc(cc1)COC 62a_100011493685_100000766300 [0,2,0,0,0,0|1,0,0]=3 11083 B13R1.77 COCSc1ccc(cn1)CCO 62a_100000766300_100009880866 [0,2,0,0,0,0|2,0,0]=4 11084 B13R1.77 COCSc1ccc(cn1)CCO 62a_100009880866_100000766300 [0,2,0,0,0,0|2,0,0]=4 11085 B13R1.77 COCSc1ccc(cn1)CSC 62a_100000753673_100000766300 [0,2,0,0,0,0|2,0,0]=4 11086 B13R1.77 COCSc1ccc(cn1)CSC 62a_100000766300_100000753673 [0,2,0,0,0,0|2,0,0]=4 11087 B13R1.77 COCSc1ccc(nc1)CCO 62a_100000766300_100012357577 [0,2,0,0,0,0|2,0,0]=4 11088 B13R1.77 COCSc1ccc(nc1)CCO 62a_100012357577_100000766300 [0,2,0,0,0,0|2,0,0]=4 11089 B13R1.77 COCc1ccc(cc1)CNCF 34a_100000738208_100015361967 [0,2,0,0,0,0|1,0,0]=3 11090 B13R1.77 COCc1ccc(cc1)NCC=O 34a_100000694113_200009817547 [0,2,0,0,0,0|1,0,1]=4 11091 B13R1.77 COCc1ccc(cc1)NCCF 34a_100000694113_100011217306 [0,2,0,0,0,0|1,0,0]=3 11092 B13R1.77 COCc1ccc(cc1)NCCO 34a_100000694113_100000211926 [0,2,0,0,0,0|1,0,0]=3 11093 B13R1.77 COCc1ccc(cc1)NCSC 34a_100000694113_100011218213 [0,2,0,0,0,0|1,0,0]=3 11094 B13R1.77 COCc1ccc(cc1)OCC#N 7a_200011995677_100011215382 [0,2,0,0,0,0|1,0,0]=3 11095 B13R1.77 COCc1ccc(cc1)OCC=O 34a_200011995677_200009817547 [0,2,0,0,0,0|1,0,0]=3 11096 B13R1.77 COCc1ccc(cc1)OCC=O 7a_200011995677_200015260668 [0,2,0,0,0,0|1,0,0]=3 11097 B13R1.77 COCc1ccc(cc1)OCCF 34a_200011995677_100011217306 [0,2,0,0,0,0|1,0,0]=3 11098 B13R1.77 COCc1ccc(cc1)OCCF 7a_200011995677_100011217306 [0,2,0,0,0,0|1,0,0]=3 11099 B13R1.77 COCc1ccc(cc1)OCCO 34a_200011995677_100000211926 [0,2,0,0,0,0|1,0,0]=3 11100 B13R1.77 COCc1ccc(cc1)OCCO 7a_200011995677_100000211926 [0,2,0,0,0,0|1,0,0]=3 11101 B13R1.77 COCc1ccc(cc1)OCSC 34a_200011995677_100011218213 [0,2,0,0,0,0|1,0,0]=3 11102 B13R1.77 COCc1ccc(cc1)SCC#N 62a_100011215382_100011493685 [0,2,0,0,0,0|1,0,1]=4 11103 B13R1.77 COCc1ccc(cc1)SCC#N 62a_100011493685_100011215382 [0,2,0,0,0,0|1,0,1]=4 11104 B13R1.77 COCc1ccc(cc1)SCC=O 62a_100011493685_200015260668 [0,2,0,0,0,0|1,0,1]=4 11105 B13R1.77 COCc1ccc(cc1)SCC=O 62a_200015260668_100011493685 [0,2,0,0,0,0|1,0,1]=4 11106 B13R1.77 COCc1ccc(cc1)SCCF 62a_100011217306_100011493685 [0,2,0,0,0,0|1,0,0]=3 11107 B13R1.77 COCc1ccc(cc1)SCCF 62a_100011493685_100011217306 [0,2,0,0,0,0|1,0,0]=3 11108 B13R1.77 COCc1ccc(cc1)SCCO 62a_100000211926_100011493685 [0,2,0,0,0,0|1,0,0]=3 11109 B13R1.77 COCc1ccc(cc1)SCCO 62a_100011493685_100000211926 [0,2,0,0,0,0|1,0,0]=3 11110 B13R1.77 COCc1ccc(cc1)SCSC 62a_100011218213_100011493685 [0,2,0,0,0,0|1,0,0]=3 11111 B13R1.77 COCc1ccc(cc1)SCSC 62a_100011493685_100011218213 [0,2,0,0,0,0|1,0,0]=3 11112 B13R1.77 CSCCc1ccc(cc1)NCF 34a_100000750819_100015361967 [0,2,0,0,0,0|1,0,0]=3 11113 B13R1.77 CSCCc1ccc(cc1)NCF 7a_100000750819_100015361967 [0,2,0,0,0,0|1,0,0]=3 11114 B13R1.77 CSCNc1ccc(cc1)CCO 2230a_100011204434_100011218213 [0,2,0,0,0,0|1,1,0]=4 11115 B13R1.77 CSCNc1ccc(cc1)CCO 34a_100011204434_100011218213 [0,2,0,0,0,0|1,1,0]=4 11116 B13R1.77 CSCNc1ccc(cc1)CSC 2230a_106726388226_100011218213 [0,2,0,0,0,0|1,1,0]=4 11117 B13R1.77 CSCNc1ccc(cc1)CSC 34a_106726388226_100011218213 [0,2,0,0,0,0|1,1,0]=4 11118 B13R1.77 CSCOc1ccc(cc1)CC#N 34a_100000198970_100011218213 [0,2,0,0,0,0|1,0,1]=4 11119 B13R1.77 CSCOc1ccc(cc1)CCBr 34a_100009816426_100011218213 [0,2,0,0,0,0|1,0,0]=3 11120 B13R1.77 CSCOc1ccc(cc1)CCN 34a_100000743037_100011218213 [0,2,0,0,0,0|1,0,0]=3 11121 B13R1.77 CSCOc1ccc(cc1)CCO 34a_100011215338_100011218213 [0,2,0,0,0,0|1,0,0]=3 11122 B13R1.77 CSCSc1ccc(cc1)CCN 62a_100000755846_100011218213 [0,2,0,0,0,0|1,1,0]=4 11123 B13R1.77 CSCSc1ccc(cc1)CCN 62a_100011218213_100000755846 [0,2,0,0,0,0|1,1,0]=4 11124 B13R1.77 CSCSc1ccc(cc1)CCO 62a_100000766406_100011218213 [0,2,0,0,0,0|1,1,0]=4 11125 B13R1.77 CSCSc1ccc(cc1)CCO 62a_100011218213_100000766406 [0,2,0,0,0,0|1,1,0]=4 11126 B13R1.77 CSCc1ccc(cc1)NCC#N 2230a_106726388226_100011215382 [0,2,0,0,0,0|2,0,0]=4 11127 B13R1.77 CSCc1ccc(cc1)NCC#N 7a_106726388226_100011215382 [0,2,0,0,0,0|2,0,0]=4 11128 B13R1.77 CSCc1ccc(cc1)NCC=O 2230a_106726388226_200015260668 [0,2,0,0,0,0|2,0,0]=4 11129 B13R1.77 CSCc1ccc(cc1)NCC=O 34a_106726388226_200009817547 [0,2,0,0,0,0|2,0,0]=4 11130 B13R1.77 CSCc1ccc(cc1)NCC=O 7a_106726388226_200015260668 [0,2,0,0,0,0|2,0,0]=4 11131 B13R1.77 CSCc1ccc(cc1)NCCF 2230a_106726388226_100011217306 [0,2,0,0,0,0|1,1,0]=4 11132 B13R1.77 CSCc1ccc(cc1)NCCF 34a_106726388226_100011217306 [0,2,0,0,0,0|1,1,0]=4 11133 B13R1.77 CSCc1ccc(cc1)NCCF 7a_106726388226_100011217306 [0,2,0,0,0,0|1,1,0]=4 11134 B13R1.77 CSCc1ccc(cc1)NCCO 2230a_106726388226_100000211926 [0,2,0,0,0,0|1,1,0]=4 11135 B13R1.77 CSCc1ccc(cc1)NCCO 34a_106726388226_100000211926 [0,2,0,0,0,0|1,1,0]=4 11136 B13R1.77 CSCc1ccc(cc1)NCCO 7a_106726388226_100000211926 [0,2,0,0,0,0|1,1,0]=4 11137 B13R1.77 FCCOc1ccc(cc1)CCBr 34a_100009816426_100011217306 [0,2,0,0,0,0|1,0,0]=3 11138 B13R1.77 FCCOc1ccc(cc1)CCBr 7a_100009816426_100011217306 [0,2,0,0,0,0|1,0,0]=3 11139 B13R1.77 FCCOc1ccc(cc1)NCF 34a_100012282086_100015361967 [0,2,0,0,0,0|2,0,0]=4 11140 B13R1.77 FCCOc1ccc(cc1)SCF 62a_100012347556_100015361967 [0,2,0,0,0,0|1,1,0]=4 11141 B13R1.77 FCCOc1ccc(cc1)SCF 62a_100015361967_100012347556 [0,2,0,0,0,0|1,1,0]=4 11142 B13R1.77 N#CCCc1ccc(cc1)OCF 34a_200011217972_100015361967 [0,2,0,0,0,0|0,0,1]=3 11143 B13R1.77 N#CCCc1ccc(cc1)OCF 7a_200011217972_100015361967 [0,2,0,0,0,0|0,0,1]=3 11144 B13R1.77 N#CCCc1ccc(cc1)SCF 62a_100011216407_100015361967 [0,2,0,0,0,0|0,1,1]=4 11145 B13R1.77 N#CCCc1ccc(cc1)SCF 62a_100015361967_100011216407 [0,2,0,0,0,0|0,1,1]=4 11146 B13R1.77 N#CCNc1ccc(cc1)CCO 2230a_100011204434_100011215382 [0,2,0,0,0,0|2,0,0]=4 11147 B13R1.77 N#CCOc1ccc(cc1)CC#N 7a_100000198970_100011215382 [0,2,0,0,0,0|1,0,1]=4 11148 B13R1.77 N#CCOc1ccc(cc1)CCBr 7a_100009816426_100011215382 [0,2,0,0,0,0|1,0,0]=3 11149 B13R1.77 N#CCOc1ccc(cc1)CCO 7a_100011215338_100011215382 [0,2,0,0,0,0|1,0,0]=3 11150 B13R1.77 N#CCOc1ccc(cc1)SCF 62a_100015361967_200000169425 [0,2,0,0,0,0|2,0,0]=4 11151 B13R1.77 N#CCOc1ccc(cc1)SCF 62a_200000169425_100015361967 [0,2,0,0,0,0|2,0,0]=4 11152 B13R1.77 N#CCSc1ccc(cc1)CCN 62a_100000755846_100011215382 [0,2,0,0,0,0|1,1,0]=4 11153 B13R1.77 N#CCSc1ccc(cc1)CCN 62a_100011215382_100000755846 [0,2,0,0,0,0|1,1,0]=4 11154 B13R1.77 N#CCSc1ccc(cc1)CCO 62a_100000766406_100011215382 [0,2,0,0,0,0|1,1,0]=4 11155 B13R1.77 N#CCSc1ccc(cc1)CCO 62a_100011215382_100000766406 [0,2,0,0,0,0|1,1,0]=4 11156 B13R1.77 N#CCc1ccc(cc1)COCF 7a_100000695229_100015361967 [0,2,0,0,0,0|1,0,1]=4 11157 B13R1.77 N#CCc1ccc(cc1)OCC=O 34a_100000198970_200009817547 [0,2,0,0,0,0|1,0,1]=4 11158 B13R1.77 N#CCc1ccc(cc1)OCC=O 7a_100000198970_200015260668 [0,2,0,0,0,0|1,0,1]=4 11159 B13R1.77 N#CCc1ccc(cc1)OCCF 34a_100000198970_100011217306 [0,2,0,0,0,0|1,0,1]=4 11160 B13R1.77 N#CCc1ccc(cc1)OCCF 7a_100000198970_100011217306 [0,2,0,0,0,0|1,0,1]=4 11161 B13R1.77 N#CCc1ccc(cc1)OCCO 34a_100000198970_100000211926 [0,2,0,0,0,0|1,0,1]=4 11162 B13R1.77 N#CCc1ccc(cc1)OCCO 7a_100000198970_100000211926 [0,2,0,0,0,0|1,0,1]=4 11163 B13R1.77 NCCCc1ccc(cc1)SCF 62a_100011297623_100015361967 [0,2,0,0,0,0|0,1,0]=3 11164 B13R1.77 NCCCc1ccc(cc1)SCF 62a_100015361967_100011297623 [0,2,0,0,0,0|0,1,0]=3 11165 B13R1.77 NCCOc1ccc(cc1)SCF 62a_100000746992_100015361967 [0,2,0,0,0,0|1,1,0]=4 11166 B13R1.77 NCCOc1ccc(cc1)SCF 62a_100015361967_100000746992 [0,2,0,0,0,0|1,1,0]=4 11167 B13R1.77 NCCSc1ccc(cc1)SCF 62a_100000184645_100015361967 [0,2,0,0,0,0|1,1,0]=4 11168 B13R1.77 NCCSc1ccc(cc1)SCF 62a_100015361967_100000184645 [0,2,0,0,0,0|1,1,0]=4 11169 B13R1.77 NCCc1ccc(cc1)OCC=O 34a_100000743037_200009817547 [0,2,0,0,0,0|1,0,0]=3 11170 B13R1.77 NCCc1ccc(cc1)OCCF 34a_100000743037_100011217306 [0,2,0,0,0,0|1,0,0]=3 11171 B13R1.77 NCCc1ccc(cc1)OCCO 34a_100000743037_100000211926 [0,2,0,0,0,0|1,0,0]=3 11172 B13R1.77 NCCc1ccc(cc1)SCC=O 62a_100000755846_200015260668 [0,2,0,0,0,0|1,1,0]=4 11173 B13R1.77 NCCc1ccc(cc1)SCC=O 62a_200015260668_100000755846 [0,2,0,0,0,0|1,1,0]=4 11174 B13R1.77 NCCc1ccc(cc1)SCCF 62a_100000755846_100011217306 [0,2,0,0,0,0|1,1,0]=4 11175 B13R1.77 NCCc1ccc(cc1)SCCF 62a_100011217306_100000755846 [0,2,0,0,0,0|1,1,0]=4 11176 B13R1.77 NCCc1ccc(cc1)SCCO 62a_100000211926_100000755846 [0,2,0,0,0,0|1,1,0]=4 11177 B13R1.77 NCCc1ccc(cc1)SCCO 62a_100000755846_100000211926 [0,2,0,0,0,0|1,1,0]=4 11178 B13R1.77 O=CCCc1ccc(cc1)SCF 62a_100011361538_100015361967 [0,2,0,0,0,0|0,1,1]=4 11179 B13R1.77 O=CCCc1ccc(cc1)SCF 62a_100015361967_100011361538 [0,2,0,0,0,0|0,1,1]=4 11180 B13R1.77 O=CCNc1ccc(cc1)CCO 2230a_100011204434_200015260668 [0,2,0,0,0,0|2,0,0]=4 11181 B13R1.77 O=CCNc1ccc(cc1)CCO 34a_100011204434_200009817547 [0,2,0,0,0,0|2,0,0]=4 11182 B13R1.77 O=CCOc1ccc(cc1)CCBr 34a_100009816426_200009817547 [0,2,0,0,0,0|1,0,0]=3 11183 B13R1.77 O=CCOc1ccc(cc1)CCBr 7a_100009816426_200015260668 [0,2,0,0,0,0|1,0,0]=3 11184 B13R1.77 O=CCOc1ccc(cc1)CCO 34a_100011215338_200009817547 [0,2,0,0,0,0|1,0,0]=3 11185 B13R1.77 O=CCOc1ccc(cc1)CCO 7a_100011215338_200015260668 [0,2,0,0,0,0|1,0,0]=3 11186 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_100000766406_200015260668 [0,2,0,0,0,0|1,1,0]=4 11187 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_200015260668_100000766406 [0,2,0,0,0,0|1,1,0]=4 11188 B13R1.77 OCCCc1ccc(cc1)OCF 34a_100011215268_100015361967 [0,2,0,0,0,0|0,0,0]=2 11189 B13R1.77 OCCCc1ccc(cc1)OCF 7a_100011215268_100015361967 [0,2,0,0,0,0|0,0,0]=2 11190 B13R1.77 OCCCc1ccc(cc1)SCF 62a_100011709247_100015361967 [0,2,0,0,0,0|0,1,0]=3 11191 B13R1.77 OCCCc1ccc(cc1)SCF 62a_100015361967_100011709247 [0,2,0,0,0,0|0,1,0]=3 11192 B13R1.77 OCCNc1ccc(cc1)CCO 2230a_100011204434_100000211926 [0,2,0,0,0,0|2,0,0]=4 11193 B13R1.77 OCCNc1ccc(cc1)CCO 34a_100011204434_100000211926 [0,2,0,0,0,0|2,0,0]=4 11194 B13R1.77 OCCOc1ccc(cc1)CCBr 34a_100009816426_100000211926 [0,2,0,0,0,0|1,0,0]=3 11195 B13R1.77 OCCOc1ccc(cc1)CCBr 7a_100009816426_100000211926 [0,2,0,0,0,0|1,0,0]=3 11196 B13R1.77 OCCOc1ccc(cc1)CCO 34a_100011215338_100000211926 [0,2,0,0,0,0|1,0,0]=3 11197 B13R1.77 OCCOc1ccc(cc1)CCO 7a_100011215338_100000211926 [0,2,0,0,0,0|1,0,0]=3 11198 B13R1.77 OCCOc1ccc(cc1)NCF 34a_100000754363_100015361967 [0,2,0,0,0,0|2,0,0]=4 11199 B13R1.77 OCCOc1ccc(cc1)SCF 62a_100000686261_100015361967 [0,2,0,0,0,0|1,1,0]=4 11200 B13R1.77 OCCOc1ccc(cc1)SCF 62a_100015361967_100000686261 [0,2,0,0,0,0|1,1,0]=4 11201 B13R1.77 OCCSc1ccc(cc1)CCO 62a_100000211926_100000766406 [0,2,0,0,0,0|1,1,0]=4 11202 B13R1.77 OCCSc1ccc(cc1)CCO 62a_100000766406_100000211926 [0,2,0,0,0,0|1,1,0]=4 11203 B13R1.77 OCCc1ccc(cc1)NCCF 2230a_100011204434_100011217306 [0,2,0,0,0,0|2,0,0]=4 11204 B13R1.77 OCCc1ccc(cc1)NCCF 34a_100011204434_100011217306 [0,2,0,0,0,0|2,0,0]=4 11205 B13R1.77 OCCc1ccc(cc1)OCCF 34a_100011215338_100011217306 [0,2,0,0,0,0|1,0,0]=3 11206 B13R1.77 OCCc1ccc(cc1)OCCF 7a_100011215338_100011217306 [0,2,0,0,0,0|1,0,0]=3 11207 B13R1.77 OCCc1ccc(cc1)SCCF 62a_100000766406_100011217306 [0,2,0,0,0,0|1,1,0]=4 11208 B13R1.77 OCCc1ccc(cc1)SCCF 62a_100011217306_100000766406 [0,2,0,0,0,0|1,1,0]=4 11209 B13R1.371 C#CCCNc1ccc(cc1)CC 2230a_100000211069_100000688953 [0,2,0,0,0,0|1,0,1]=4 11210 B13R1.371 C#CCCNc1ccc(cc1)CC 34a_100000211069_100000688953 [0,2,0,0,0,0|1,0,1]=4 11211 B13R1.371 C#CCCNc1ccc(cc1)OC 34a_100000184247_100000688953 [0,2,0,0,0,0|0,0,1]=3 11212 B13R1.371 C#CCCNc1ccc(cc1)SC 34a_100000212337_100000688953 [0,2,0,0,0,0|0,1,1]=4 11213 B13R1.371 C#CCCOc1ccc(cc1)CC 34a_100000211359_100000688953 [0,2,0,0,0,0|1,0,1]=4 11214 B13R1.371 C#CCCOc1ccc(cc1)CC 7a_100000211359_100000688953 [0,2,0,0,0,0|1,0,1]=4 11215 B13R1.371 C#CCCOc1ccc(cc1)NC 34a_100000182112_100000688953 [0,2,0,0,0,0|1,0,1]=4 11216 B13R1.371 C#CCCOc1ccc(cc1)OC 34a_100000210503_100000688953 [0,2,0,0,0,0|0,0,1]=3 11217 B13R1.371 C#CCCOc1ccc(cc1)SC 34a_100000211864_100000688953 [0,2,0,0,0,0|0,1,1]=4 11218 B13R1.371 C#CCCOc1ccc(cn1)OC 34a_100012002028_100000688953 [0,2,0,0,0,0|1,0,1]=4 11219 B13R1.371 C#CCCOc1ccc(nc1)OC 34a_100011934560_100000688953 [0,2,0,0,0,0|1,0,1]=4 11220 B13R1.371 C#CCCSc1ccc(cc1)CC 62a_100000688953_100011215824 [0,2,0,0,0,0|1,0,1]=4 11221 B13R1.371 C#CCCSc1ccc(cc1)CC 62a_100011215824_100000688953 [0,2,0,0,0,0|1,0,1]=4 11222 B13R1.371 C#CCCSc1ccc(cc1)NC 62a_100000688953_100000743151 [0,2,0,0,0,0|1,0,1]=4 11223 B13R1.371 C#CCCSc1ccc(cc1)NC 62a_100000743151_100000688953 [0,2,0,0,0,0|1,0,1]=4 11224 B13R1.371 C#CCCSc1ccc(cc1)OC 62a_100000688953_100000171711 [0,2,0,0,0,0|0,0,1]=3 11225 B13R1.371 C#CCCSc1ccc(cc1)SC 62a_100000688953_100011263217 [0,2,0,0,0,0|0,1,1]=4 11226 B13R1.371 C#CCCSc1ccc(cc1)SC 62a_100011263217_100000688953 [0,2,0,0,0,0|0,1,1]=4 11227 B13R1.371 C#CCCSc1ccc(cn1)OC 62a_100000688953_100000744180 [0,2,0,0,0,0|1,0,1]=4 11228 B13R1.371 C#CCCSc1ccc(cn1)OC 62a_100000755202_100000688953 [0,2,0,0,0,0|1,0,1]=4 11229 B13R1.371 C#CCCSc1ccc(nc1)OC 62a_100000047065_100000688953 [0,2,0,0,0,0|1,0,1]=4 11230 B13R1.371 C#CCCSc1ccc(nc1)OC 62a_100000688953_100000047065 [0,2,0,0,0,0|1,0,1]=4 11231 B13R1.371 C#CCNCc1ccc(cc1)CC 2230a_100000721222_100000038162 [0,2,0,0,0,0|1,0,1]=4 11232 B13R1.371 C#CCNCc1ccc(cc1)CC 34a_100000212058_100000747183 [0,2,0,0,0,0|1,0,1]=4 11233 B13R1.371 C#CCNCc1ccc(cc1)CC 34a_100000721222_100000184674 [0,2,0,0,0,0|1,0,1]=4 11234 B13R1.371 C#CCNCc1ccc(cc1)OC 34a_100000185587_100000184674 [0,2,0,0,0,0|0,0,1]=3 11235 B13R1.371 C#CCNCc1ccc(cc1)OC 34a_100000212058_100000742318 [0,2,0,0,0,0|0,0,1]=3 11236 B13R1.371 C#CCNCc1ccc(cc1)SC 2230a_100000174980_100000038162 [0,2,0,0,0,0|0,1,1]=4 11237 B13R1.371 C#CCNCc1ccc(cc1)SC 34a_100000174980_100000184674 [0,2,0,0,0,0|0,1,1]=4 11238 B13R1.371 C#CCNCc1ccc(cc1)SC 34a_100000212058_100000181263 [0,2,0,0,0,0|0,1,1]=4 11239 B13R1.371 C#CCNCc1ccc(cn1)OC 34a_100000212058_200000757186 [0,2,0,0,0,0|1,0,1]=4 11240 B13R1.371 C#CCNCc1ccc(cn1)OC 34a_100000703904_100000184674 [0,2,0,0,0,0|1,0,1]=4 11241 B13R1.371 C#CCNCc1ccc(nc1)OC 2230a_100000241975_100000038162 [0,2,0,0,0,0|1,0,1]=4 11242 B13R1.371 C#CCNCc1ccc(nc1)OC 34a_100000212058_100020631284 [0,2,0,0,0,0|1,0,1]=4 11243 B13R1.371 C#CCOCc1ccc(cc1)CC 34a_100000210247_100000747183 [0,2,0,0,0,0|1,0,1]=4 11244 B13R1.371 C#CCOCc1ccc(cc1)CC 34a_100000702245_100000184674 [0,2,0,0,0,0|1,0,1]=4 11245 B13R1.371 C#CCOCc1ccc(cc1)CC 7a_100000702245_100000038162 [0,2,0,0,0,0|1,0,1]=4 11246 B13R1.371 C#CCOCc1ccc(cc1)OC 34a_100000173359_100000184674 [0,2,0,0,0,0|0,0,1]=3 11247 B13R1.371 C#CCOCc1ccc(cc1)OC 34a_100000210247_100000742318 [0,2,0,0,0,0|0,0,1]=3 11248 B13R1.371 C#CCOCc1ccc(cc1)SC 34a_100000210247_100000181263 [0,2,0,0,0,0|0,1,1]=4 11249 B13R1.371 C#CCOCc1ccc(cc1)SC 34a_100011215404_100000184674 [0,2,0,0,0,0|0,1,1]=4 11250 B13R1.371 C#CCOCc1ccc(cc1)SC 7a_100011215404_100000038162 [0,2,0,0,0,0|0,1,1]=4 11251 B13R1.371 C#CCOCc1ccc(cn1)OC 34a_100000210247_200000757186 [0,2,0,0,0,0|1,0,1]=4 11252 B13R1.371 C#CCOCc1ccc(cn1)OC 34a_100011998694_100000184674 [0,2,0,0,0,0|1,0,1]=4 11253 B13R1.371 C#CCOCc1ccc(nc1)OC 34a_100000210247_100020631284 [0,2,0,0,0,0|1,0,1]=4 11254 B13R1.371 C#CCOCc1ccc(nc1)OC 34a_100000763316_100000184674 [0,2,0,0,0,0|1,0,1]=4 11255 B13R1.371 C#CCSCc1ccc(cc1)CC 62a_100000038162_100000747183 [0,2,0,0,0,0|1,0,1]=4 11256 B13R1.371 C#CCSCc1ccc(cc1)OC 62a_100000038162_100000742318 [0,2,0,0,0,0|0,0,1]=3 11257 B13R1.371 C#CCSCc1ccc(cc1)SC 62a_100000038162_100000181263 [0,2,0,0,0,0|0,1,1]=4 11258 B13R1.371 C#CCSCc1ccc(cn1)OC 62a_100000038162_200000757186 [0,2,0,0,0,0|1,0,1]=4 11259 B13R1.371 C#CCSCc1ccc(nc1)OC 62a_100000038162_100020631284 [0,2,0,0,0,0|1,0,1]=4 11260 B13R1.371 C#Cc1ccc(cc1)CNCCC 207a_100020643023_100011361452 [0,2,0,0,0,0|1,0,1]=4 11261 B13R1.371 C#Cc1ccc(cc1)CNCCC 2230a_100015199678_100000210303 [0,2,0,0,0,0|1,0,1]=4 11262 B13R1.371 C#Cc1ccc(cc1)CNCCC 270004a_100020643023_100011361452 [0,2,0,0,0,0|1,0,1]=4 11263 B13R1.371 C#Cc1ccc(cc1)CNCCC 34a_100015199678_100000210303 [0,2,0,0,0,0|1,0,1]=4 11264 B13R1.371 C#Cc1ccc(cc1)CNCCF 2230a_100015199678_100011217306 [0,2,0,0,0,0|1,0,1]=4 11265 B13R1.371 C#Cc1ccc(cc1)CNCCF 34a_100000724931_100000140223 [0,2,0,0,0,0|1,0,1]=4 11266 B13R1.371 C#Cc1ccc(cc1)CNCCF 34a_100015199678_100011217306 [0,2,0,0,0,0|1,0,1]=4 11267 B13R1.371 C#Cc1ccc(cc1)CNCCO 207a_100000210304_100011361452 [0,2,0,0,0,0|1,0,1]=4 11268 B13R1.371 C#Cc1ccc(cc1)CNCCO 2230a_100015199678_100000211926 [0,2,0,0,0,0|1,0,1]=4 11269 B13R1.371 C#Cc1ccc(cc1)CNCCO 2230a_100016997473_100000140223 [0,2,0,0,0,0|1,0,1]=4 11270 B13R1.371 C#Cc1ccc(cc1)CNCCO 270004a_100000210304_100011361452 [0,2,0,0,0,0|1,0,1]=4 11271 B13R1.371 C#Cc1ccc(cc1)CNCCO 34a_100015199678_100000211926 [0,2,0,0,0,0|1,0,1]=4 11272 B13R1.371 C#Cc1ccc(cc1)CNCCO 34a_100016990907_100000140223 [0,2,0,0,0,0|1,0,1]=4 11273 B13R1.371 C#Cc1ccc(cc1)CNCOC 2230a_100015199678_100000766300 [0,2,0,0,0,0|1,0,1]=4 11274 B13R1.371 C#Cc1ccc(cc1)CNCSC 2230a_100015199678_100011218213 [0,2,0,0,0,0|1,0,1]=4 11275 B13R1.371 C#Cc1ccc(cc1)CNCSC 34a_100015199678_100011218213 [0,2,0,0,0,0|1,0,1]=4 11276 B13R1.371 C#Cc1ccc(cc1)COCCBr 34a_100000211926_100000140223 [0,2,0,0,0,0|1,0,1]=4 11277 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000054647_100000210303 [0,2,0,0,0,0|1,0,1]=4 11278 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000210258_100000140223 [0,2,0,0,0,0|1,0,1]=4 11279 B13R1.371 C#Cc1ccc(cc1)COCCC 7a_100000054647_100000210303 [0,2,0,0,0,0|1,0,1]=4 11280 B13R1.371 C#Cc1ccc(cc1)COCCF 34a_100000054647_100011217306 [0,2,0,0,0,0|1,0,1]=4 11281 B13R1.371 C#Cc1ccc(cc1)COCCF 7a_100000054647_100011217306 [0,2,0,0,0,0|1,0,1]=4 11282 B13R1.371 C#Cc1ccc(cc1)COCCN 34a_100000210304_100000140223 [0,2,0,0,0,0|1,0,1]=4 11283 B13R1.371 C#Cc1ccc(cc1)COCCO 34a_100000054647_100000211926 [0,2,0,0,0,0|1,0,1]=4 11284 B13R1.371 C#Cc1ccc(cc1)COCCO 7a_100000054647_100000211926 [0,2,0,0,0,0|1,0,1]=4 11285 B13R1.371 C#Cc1ccc(cc1)COCSC 34a_100000054647_100011218213 [0,2,0,0,0,0|1,0,1]=4 11286 B13R1.371 C#Cc1ccc(cc1)CSCCC 62a_100000210303_100000140223 [0,2,0,0,0,0|1,0,1]=4 11287 B13R1.371 C#Cc1ccc(cc1)CSCCF 62a_100011217306_100000140223 [0,2,0,0,0,0|1,0,1]=4 11288 B13R1.371 C#Cc1ccc(cc1)CSCCO 62a_100000211926_100000140223 [0,2,0,0,0,0|1,0,1]=4 11289 B13R1.371 C#Cc1ccc(cc1)CSCOC 62a_100000766300_100000140223 [0,2,0,0,0,0|1,0,1]=4 11290 B13R1.371 C#Cc1ccc(cc1)CSCSC 62a_100011218213_100000140223 [0,2,0,0,0,0|1,0,1]=4 11291 B13R1.371 C#Cc1ccc(cc1)NCCCC 34a_100011215031_100000210210 [0,2,0,0,0,0|1,0,1]=4 11292 B13R1.371 C#Cc1ccc(cc1)NCCCF 34a_100011215031_100011934791 [0,2,0,0,0,0|1,0,1]=4 11293 B13R1.371 C#Cc1ccc(cc1)NCCCO 34a_100011215031_100000230001 [0,2,0,0,0,0|1,0,1]=4 11294 B13R1.371 C#Cc1ccc(cc1)NCCOC 34a_100011215031_100011201679 [0,2,0,0,0,0|1,0,1]=4 11295 B13R1.371 C#Cc1ccc(cc1)NCCSC 34a_100011215031_100000212216 [0,2,0,0,0,0|1,0,1]=4 11296 B13R1.371 C/C=C/CNc1ccc(cc1)CC 34a_100000211069_100102629194 [0,2,0,0,0,0|1,0,1]=4 11297 B13R1.371 C/C=C/CNc1ccc(cc1)OC 34a_100000184247_100102629194 [0,2,0,0,0,0|0,0,1]=3 11298 B13R1.371 C/C=C/CNc1ccc(cc1)SC 34a_100000212337_100102629194 [0,2,0,0,0,0|0,1,1]=4 11299 B13R1.371 C/C=C/COc1ccc(cc1)CC 34a_100000211359_100102629194 [0,2,0,0,0,0|1,0,1]=4 11300 B13R1.371 C/C=C/COc1ccc(cc1)CC 7a_100000211359_100102629194 [0,2,0,0,0,0|1,0,1]=4 11301 B13R1.371 C/C=C/COc1ccc(cc1)NC 34a_100000182112_100102629194 [0,2,0,0,0,0|1,0,1]=4 11302 B13R1.371 C/C=C/COc1ccc(cc1)OC 34a_100000210503_100102629194 [0,2,0,0,0,0|0,0,1]=3 11303 B13R1.371 C/C=C/COc1ccc(cc1)SC 34a_100000211864_100102629194 [0,2,0,0,0,0|0,1,1]=4 11304 B13R1.371 C/C=C/COc1ccc(cn1)OC 34a_100012002028_100102629194 [0,2,0,0,0,0|1,0,1]=4 11305 B13R1.371 C/C=C/COc1ccc(nc1)OC 34a_100011934560_100102629194 [0,2,0,0,0,0|1,0,1]=4 11306 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100011215824_100102629194 [0,2,0,0,0,0|1,0,1]=4 11307 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100102629194_100011215824 [0,2,0,0,0,0|1,0,1]=4 11308 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100000743151_100102629194 [0,2,0,0,0,0|1,0,1]=4 11309 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100102629194_100000743151 [0,2,0,0,0,0|1,0,1]=4 11310 B13R1.371 C/C=C/CSc1ccc(cc1)OC 62a_100102629194_100000171711 [0,2,0,0,0,0|0,0,1]=3 11311 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100011263217_100102629194 [0,2,0,0,0,0|0,1,1]=4 11312 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100102629194_100011263217 [0,2,0,0,0,0|0,1,1]=4 11313 B13R1.371 C/C=C/CSc1ccc(cn1)OC 62a_100000755202_100102629194 [0,2,0,0,0,0|1,0,1]=4 11314 B13R1.371 C/C=C/CSc1ccc(cn1)OC 62a_100102629194_100000744180 [0,2,0,0,0,0|1,0,1]=4 11315 B13R1.371 C/C=C/CSc1ccc(nc1)OC 62a_100000047065_100102629194 [0,2,0,0,0,0|1,0,1]=4 11316 B13R1.371 C/C=C/CSc1ccc(nc1)OC 62a_100102629194_100000047065 [0,2,0,0,0,0|1,0,1]=4 11317 B13R1.371 C=CCCNc1ccc(cc1)CC 2230a_100000211069_100000754431 [0,2,0,0,0,0|1,0,1]=4 11318 B13R1.371 C=CCCNc1ccc(cc1)CC 34a_100000211069_100000754431 [0,2,0,0,0,0|1,0,1]=4 11319 B13R1.371 C=CCCNc1ccc(cc1)OC 34a_100000184247_100000754431 [0,2,0,0,0,0|0,0,1]=3 11320 B13R1.371 C=CCCNc1ccc(cc1)SC 34a_100000212337_100000754431 [0,2,0,0,0,0|0,1,1]=4 11321 B13R1.371 C=CCCOc1ccc(cc1)CC 34a_100000211359_100000754431 [0,2,0,0,0,0|1,0,1]=4 11322 B13R1.371 C=CCCOc1ccc(cc1)CC 7a_100000211359_100000754431 [0,2,0,0,0,0|1,0,1]=4 11323 B13R1.371 C=CCCOc1ccc(cc1)NC 34a_100000182112_100000754431 [0,2,0,0,0,0|1,0,1]=4 11324 B13R1.371 C=CCCOc1ccc(cc1)OC 34a_100000210503_100000754431 [0,2,0,0,0,0|0,0,1]=3 11325 B13R1.371 C=CCCOc1ccc(cc1)SC 34a_100000211864_100000754431 [0,2,0,0,0,0|0,1,1]=4 11326 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_100012049633_200000210301 [0,2,0,0,0,0|0,1,1]=4 11327 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_200000210301_100012049633 [0,2,0,0,0,0|0,1,1]=4 11328 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_100012049633_200025704644 [0,2,0,0,0,0|0,1,1]=4 11329 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012049633 [0,2,0,0,0,0|0,1,1]=4 11330 B13R1.371 C=CCCOc1ccc(cn1)OC 34a_100012002028_100000754431 [0,2,0,0,0,0|1,0,1]=4 11331 B13R1.371 C=CCCOc1ccc(nc1)OC 34a_100011934560_100000754431 [0,2,0,0,0,0|1,0,1]=4 11332 B13R1.371 C=CCCSc1ccc(cc1)CC 62a_100000754431_100011215824 [0,2,0,0,0,0|1,0,1]=4 11333 B13R1.371 C=CCCSc1ccc(cc1)CC 62a_100011215824_100000754431 [0,2,0,0,0,0|1,0,1]=4 11334 B13R1.371 C=CCCSc1ccc(cc1)NC 62a_100000743151_100000754431 [0,2,0,0,0,0|1,0,1]=4 11335 B13R1.371 C=CCCSc1ccc(cc1)NC 62a_100000754431_100000743151 [0,2,0,0,0,0|1,0,1]=4 11336 B13R1.371 C=CCCSc1ccc(cc1)OC 62a_100000754431_100000171711 [0,2,0,0,0,0|0,0,1]=3 11337 B13R1.371 C=CCCSc1ccc(cc1)SC 62a_100000754431_100011263217 [0,2,0,0,0,0|0,1,1]=4 11338 B13R1.371 C=CCCSc1ccc(cc1)SC 62a_100011263217_100000754431 [0,2,0,0,0,0|0,1,1]=4 11339 B13R1.371 C=CCCSc1ccc(cn1)OC 62a_100000754431_100000744180 [0,2,0,0,0,0|1,0,1]=4 11340 B13R1.371 C=CCCSc1ccc(cn1)OC 62a_100000755202_100000754431 [0,2,0,0,0,0|1,0,1]=4 11341 B13R1.371 C=CCCSc1ccc(nc1)OC 62a_100000047065_100000754431 [0,2,0,0,0,0|1,0,1]=4 11342 B13R1.371 C=CCCSc1ccc(nc1)OC 62a_100000754431_100000047065 [0,2,0,0,0,0|1,0,1]=4 11343 B13R1.371 C=CCNCc1ccc(cc1)CC 2230a_100000721222_100000210623 [0,2,0,0,0,0|1,0,1]=4 11344 B13R1.371 C=CCNCc1ccc(cc1)CC 2230a_100020586998_100000747183 [0,2,0,0,0,0|1,0,1]=4 11345 B13R1.371 C=CCNCc1ccc(cc1)CC 270004a_100020586998_100000211036 [0,2,0,0,0,0|1,0,1]=4 11346 B13R1.371 C=CCNCc1ccc(cc1)CC 34a_100000721222_100015514636 [0,2,0,0,0,0|1,0,1]=4 11347 B13R1.371 C=CCNCc1ccc(cc1)OC 2230a_100020586998_100000742318 [0,2,0,0,0,0|0,0,1]=3 11348 B13R1.371 C=CCNCc1ccc(cc1)OC 270004a_100020586998_100000169835 [0,2,0,0,0,0|0,0,1]=3 11349 B13R1.371 C=CCNCc1ccc(cc1)OC 34a_100000185587_100015514636 [0,2,0,0,0,0|0,0,1]=3 11350 B13R1.371 C=CCNCc1ccc(cc1)SC 2230a_100000174980_100000210623 [0,2,0,0,0,0|0,1,1]=4 11351 B13R1.371 C=CCNCc1ccc(cc1)SC 2230a_100020586998_100000181263 [0,2,0,0,0,0|0,1,1]=4 11352 B13R1.371 C=CCNCc1ccc(cc1)SC 270004a_100020586998_100000211154 [0,2,0,0,0,0|0,1,1]=4 11353 B13R1.371 C=CCNCc1ccc(cc1)SC 34a_100000174980_100015514636 [0,2,0,0,0,0|0,1,1]=4 11354 B13R1.371 C=CCNCc1ccc(cc1)SC 62a_100000196220_200000210301 [0,2,0,0,0,0|0,1,1]=4 11355 B13R1.371 C=CCNCc1ccc(cc1)SC 62a_200000210301_100000196220 [0,2,0,0,0,0|0,1,1]=4 11356 B13R1.371 C=CCNCc1ccc(cc1)S[13CH3] 62a_100000196220_200025704644 [0,2,0,0,0,0|0,1,1]=4 11357 B13R1.371 C=CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000196220 [0,2,0,0,0,0|0,1,1]=4 11358 B13R1.371 C=CCNCc1ccc(cn1)OC 2230a_100020586998_200000757186 [0,2,0,0,0,0|1,0,1]=4 11359 B13R1.371 C=CCNCc1ccc(cn1)OC 270004a_100020586998_100000701244 [0,2,0,0,0,0|1,0,1]=4 11360 B13R1.371 C=CCNCc1ccc(cn1)OC 34a_100000703904_100015514636 [0,2,0,0,0,0|1,0,1]=4 11361 B13R1.371 C=CCNCc1ccc(nc1)OC 2230a_100000241975_100000210623 [0,2,0,0,0,0|1,0,1]=4 11362 B13R1.371 C=CCNCc1ccc(nc1)OC 2230a_100020586998_100020631284 [0,2,0,0,0,0|1,0,1]=4 11363 B13R1.371 C=CCNCc1ccc(nc1)OC 270004a_100020586998_100000761633 [0,2,0,0,0,0|1,0,1]=4 11364 B13R1.371 C=CCOCc1ccc(cc1)CC 34a_100000702245_100015514636 [0,2,0,0,0,0|1,0,1]=4 11365 B13R1.371 C=CCOCc1ccc(cc1)CC 34a_200000210373_100000747183 [0,2,0,0,0,0|1,0,1]=4 11366 B13R1.371 C=CCOCc1ccc(cc1)CC 7a_100000702245_100015514636 [0,2,0,0,0,0|1,0,1]=4 11367 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_100000173359_100015514636 [0,2,0,0,0,0|0,0,1]=3 11368 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_200000210373_100000742318 [0,2,0,0,0,0|0,0,1]=3 11369 B13R1.371 C=CCOCc1ccc(cc1)SC 34a_100011215404_100015514636 [0,2,0,0,0,0|0,1,1]=4 11370 B13R1.371 C=CCOCc1ccc(cc1)SC 34a_200000210373_100000181263 [0,2,0,0,0,0|0,1,1]=4 11371 B13R1.371 C=CCOCc1ccc(cc1)SC 7a_100011215404_100015514636 [0,2,0,0,0,0|0,1,1]=4 11372 B13R1.371 C=CCOCc1ccc(cn1)OC 34a_100011998694_100015514636 [0,2,0,0,0,0|1,0,1]=4 11373 B13R1.371 C=CCOCc1ccc(cn1)OC 34a_200000210373_200000757186 [0,2,0,0,0,0|1,0,1]=4 11374 B13R1.371 C=CCOCc1ccc(nc1)OC 34a_100000763316_100015514636 [0,2,0,0,0,0|1,0,1]=4 11375 B13R1.371 C=CCOCc1ccc(nc1)OC 34a_200000210373_100020631284 [0,2,0,0,0,0|1,0,1]=4 11376 B13R1.371 C=CCSCc1ccc(cc1)CC 62a_100000210623_100000747183 [0,2,0,0,0,0|1,0,1]=4 11377 B13R1.371 C=CCSCc1ccc(cc1)CC 62a_100000757233_100000210623 [0,2,0,0,0,0|1,0,1]=4 11378 B13R1.371 C=CCSCc1ccc(cc1)OC 62a_100000210623_100000742318 [0,2,0,0,0,0|0,0,1]=3 11379 B13R1.371 C=CCSCc1ccc(cc1)SC 62a_100000181263_100000210623 [0,2,0,0,0,0|0,1,1]=4 11380 B13R1.371 C=CCSCc1ccc(cc1)SC 62a_100000210623_100000181263 [0,2,0,0,0,0|0,1,1]=4 11381 B13R1.371 C=CCSCc1ccc(cn1)OC 62a_100000210623_200000757186 [0,2,0,0,0,0|1,0,1]=4 11382 B13R1.371 C=CCSCc1ccc(cn1)OC 62a_200000757186_100000210623 [0,2,0,0,0,0|1,0,1]=4 11383 B13R1.371 C=CCSCc1ccc(nc1)OC 62a_100000210623_100020631284 [0,2,0,0,0,0|1,0,1]=4 11384 B13R1.371 C=CCSCc1ccc(nc1)OC 62a_100020631284_100000210623 [0,2,0,0,0,0|1,0,1]=4 11385 B13R1.371 C=Cc1ccc(cc1)CCCCC 271570a_100011290941_100009813665 [0,2,0,0,0,0|1,0,1]=4 11386 B13R1.371 C=Cc1ccc(cc1)CCNCC 2230a_100015525214_100000142037 [0,2,0,0,0,0|1,0,1]=4 11387 B13R1.371 C=Cc1ccc(cc1)CCOCC 34a_100121572206_100000142037 [0,2,0,0,0,0|1,0,1]=4 11388 B13R1.371 C=Cc1ccc(cc1)CCSCC 62a_100000142037_100000210202 [0,2,0,0,0,0|1,0,1]=4 11389 B13R1.371 C=Cc1ccc(cc1)CCSCC 62a_100000210202_100000142037 [0,2,0,0,0,0|1,0,1]=4 11390 B13R1.371 C=Cc1ccc(cc1)CCSCF 62a_100000142037_100015361967 [0,2,0,0,0,0|1,0,1]=4 11391 B13R1.371 C=Cc1ccc(cc1)CCSCF 62a_100015361967_100000142037 [0,2,0,0,0,0|1,0,1]=4 11392 B13R1.371 C=Cc1ccc(cc1)CNCCC 270004a_100020643023_100011361436 [0,2,0,0,0,0|1,0,1]=4 11393 B13R1.371 C=Cc1ccc(cc1)CNCCC 34a_200011934891_100000210303 [0,2,0,0,0,0|1,0,1]=4 11394 B13R1.371 C=Cc1ccc(cc1)CNCCF 34a_100000724931_100000034074 [0,2,0,0,0,0|1,0,1]=4 11395 B13R1.371 C=Cc1ccc(cc1)CNCCF 34a_200011934891_100011217306 [0,2,0,0,0,0|1,0,1]=4 11396 B13R1.371 C=Cc1ccc(cc1)CNCCO 2230a_100016997473_100000034074 [0,2,0,0,0,0|1,0,1]=4 11397 B13R1.371 C=Cc1ccc(cc1)CNCCO 270004a_100000210304_100011361436 [0,2,0,0,0,0|1,0,1]=4 11398 B13R1.371 C=Cc1ccc(cc1)CNCCO 271570a_100011290941_100000186819 [0,2,0,0,0,0|1,0,1]=4 11399 B13R1.371 C=Cc1ccc(cc1)CNCCO 34a_100016990907_100000034074 [0,2,0,0,0,0|1,0,1]=4 11400 B13R1.371 C=Cc1ccc(cc1)CNCCO 34a_200011934891_100000211926 [0,2,0,0,0,0|1,0,1]=4 11401 B13R1.371 C=Cc1ccc(cc1)CNCSC 34a_200011934891_100011218213 [0,2,0,0,0,0|1,0,1]=4 11402 B13R1.371 C=Cc1ccc(cc1)COCCBr 34a_100000211926_100000034074 [0,2,0,0,0,0|1,0,1]=4 11403 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000073583_100000210303 [0,2,0,0,0,0|1,0,1]=4 11404 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000210258_100000034074 [0,2,0,0,0,0|1,0,1]=4 11405 B13R1.371 C=Cc1ccc(cc1)COCCC 7a_100000073583_100000210303 [0,2,0,0,0,0|1,0,1]=4 11406 B13R1.371 C=Cc1ccc(cc1)COCCF 34a_100000073583_100011217306 [0,2,0,0,0,0|1,0,1]=4 11407 B13R1.371 C=Cc1ccc(cc1)COCCF 7a_100000073583_100011217306 [0,2,0,0,0,0|1,0,1]=4 11408 B13R1.371 C=Cc1ccc(cc1)COCCN 34a_100000210304_100000034074 [0,2,0,0,0,0|1,0,1]=4 11409 B13R1.371 C=Cc1ccc(cc1)COCCO 34a_100000073583_100000211926 [0,2,0,0,0,0|1,0,1]=4 11410 B13R1.371 C=Cc1ccc(cc1)COCCO 7a_100000073583_100000211926 [0,2,0,0,0,0|1,0,1]=4 11411 B13R1.371 C=Cc1ccc(cc1)COCSC 34a_100000073583_100011218213 [0,2,0,0,0,0|1,0,1]=4 11412 B13R1.371 C=Cc1ccc(cc1)CSCCC 62a_100000034074_100000210303 [0,2,0,0,0,0|1,0,1]=4 11413 B13R1.371 C=Cc1ccc(cc1)CSCCC 62a_100000210303_100000034074 [0,2,0,0,0,0|1,0,1]=4 11414 B13R1.371 C=Cc1ccc(cc1)CSCCF 62a_100000034074_100011217306 [0,2,0,0,0,0|1,0,1]=4 11415 B13R1.371 C=Cc1ccc(cc1)CSCCF 62a_100011217306_100000034074 [0,2,0,0,0,0|1,0,1]=4 11416 B13R1.371 C=Cc1ccc(cc1)CSCCO 62a_100000034074_100000211926 [0,2,0,0,0,0|1,0,1]=4 11417 B13R1.371 C=Cc1ccc(cc1)CSCCO 62a_100000211926_100000034074 [0,2,0,0,0,0|1,0,1]=4 11418 B13R1.371 C=Cc1ccc(cc1)CSCOC 62a_100000034074_100000766300 [0,2,0,0,0,0|1,0,1]=4 11419 B13R1.371 C=Cc1ccc(cc1)CSCOC 62a_100000766300_100000034074 [0,2,0,0,0,0|1,0,1]=4 11420 B13R1.371 C=Cc1ccc(cc1)CSCSC 62a_100000034074_100011218213 [0,2,0,0,0,0|1,0,1]=4 11421 B13R1.371 C=Cc1ccc(cc1)CSCSC 62a_100011218213_100000034074 [0,2,0,0,0,0|1,0,1]=4 11422 B13R1.371 C=Cc1ccc(cc1)NCCCC 34a_100011218248_100000210210 [0,2,0,0,0,0|1,0,1]=4 11423 B13R1.371 C=Cc1ccc(cc1)NCCCF 34a_100011218248_100011934791 [0,2,0,0,0,0|1,0,1]=4 11424 B13R1.371 C=Cc1ccc(cc1)NCCCO 34a_100011218248_100000230001 [0,2,0,0,0,0|1,0,1]=4 11425 B13R1.371 C=Cc1ccc(cc1)NCCOC 34a_100011218248_100011201679 [0,2,0,0,0,0|1,0,1]=4 11426 B13R1.371 C=Cc1ccc(cc1)NCCSC 34a_100011218248_100000212216 [0,2,0,0,0,0|1,0,1]=4 11427 B13R1.371 C=Cc1ccc(cc1)OCCCC 271570a_100011290941_100000230682 [0,2,0,0,0,0|1,0,1]=4 11428 B13R1.371 C=Cc1ccc(cc1)OCCCC 34a_100000189437_100000210210 [0,2,0,0,0,0|1,0,1]=4 11429 B13R1.371 C=Cc1ccc(cc1)OCCCC 7a_100000189437_100000210211 [0,2,0,0,0,0|1,0,1]=4 11430 B13R1.371 C=Cc1ccc(cc1)OCCCF 34a_100000189437_100011934791 [0,2,0,0,0,0|1,0,1]=4 11431 B13R1.371 C=Cc1ccc(cc1)OCCCF 7a_100000189437_100011934791 [0,2,0,0,0,0|1,0,1]=4 11432 B13R1.371 C=Cc1ccc(cc1)OCCCO 271570a_100011290941_100000756186 [0,2,0,0,0,0|1,0,1]=4 11433 B13R1.371 C=Cc1ccc(cc1)OCCCO 34a_100000189437_100000230001 [0,2,0,0,0,0|1,0,1]=4 11434 B13R1.371 C=Cc1ccc(cc1)OCCCO 7a_100000189437_100011215043 [0,2,0,0,0,0|1,0,1]=4 11435 B13R1.371 C=Cc1ccc(cc1)OCCOC 271570a_100011290941_100000234135 [0,2,0,0,0,0|1,0,1]=4 11436 B13R1.371 C=Cc1ccc(cc1)OCCOC 34a_100000189437_100011201679 [0,2,0,0,0,0|1,0,1]=4 11437 B13R1.371 C=Cc1ccc(cc1)OCCOC 7a_100000189437_100000233755 [0,2,0,0,0,0|1,0,1]=4 11438 B13R1.371 C=Cc1ccc(cc1)OCCSC 34a_100000189437_100000212216 [0,2,0,0,0,0|1,0,1]=4 11439 B13R1.371 C=Cc1ccc(cc1)OCCSC 7a_100000189437_100000212216 [0,2,0,0,0,0|1,0,1]=4 11440 B13R1.371 C=Cc1ccc(cc1)SCCCC 62a_100000210211_100000748128 [0,2,0,0,0,0|1,0,1]=4 11441 B13R1.371 C=Cc1ccc(cc1)SCCCC 62a_100000748128_100000210210 [0,2,0,0,0,0|1,0,1]=4 11442 B13R1.371 C=Cc1ccc(cc1)SCCCF 62a_100000748128_100011934791 [0,2,0,0,0,0|1,0,1]=4 11443 B13R1.371 C=Cc1ccc(cc1)SCCCF 62a_100011934791_100000748128 [0,2,0,0,0,0|1,0,1]=4 11444 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100000748128_100011215043 [0,2,0,0,0,0|1,0,1]=4 11445 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100011215043_100000748128 [0,2,0,0,0,0|1,0,1]=4 11446 B13R1.371 C=Cc1ccc(cc1)SCCOC 271570a_100011290941_200009813259 [0,2,0,0,0,0|1,0,1]=4 11447 B13R1.371 C=Cc1ccc(cc1)SCCOC 62a_100000233755_100000748128 [0,2,0,0,0,0|1,0,1]=4 11448 B13R1.371 C=Cc1ccc(cc1)SCCOC 62a_100000748128_100000233755 [0,2,0,0,0,0|1,0,1]=4 11449 B13R1.371 C=Cc1ccc(cc1)SCCSC 62a_100000212216_100000748128 [0,2,0,0,0,0|1,0,1]=4 11450 B13R1.371 C=Cc1ccc(cc1)SCCSC 62a_100000748128_100000751147 [0,2,0,0,0,0|1,0,1]=4 11451 B13R1.371 C=Cc1ccc(cc1)SCOCC 62a_100000739092_100000748128 [0,2,0,0,0,0|1,0,1]=4 11452 B13R1.371 C=Cc1ccc(cc1)SCOCC 62a_100000748128_100000739092 [0,2,0,0,0,0|1,0,1]=4 11453 B13R1.371 CC#CCNc1ccc(cc1)CC 2230a_100000211069_100000748600 [0,2,0,0,0,0|1,0,1]=4 11454 B13R1.371 CC#CCNc1ccc(cc1)CC 34a_100000211069_100000748600 [0,2,0,0,0,0|1,0,1]=4 11455 B13R1.371 CC#CCNc1ccc(cc1)OC 34a_100000184247_100000748600 [0,2,0,0,0,0|0,0,1]=3 11456 B13R1.371 CC#CCNc1ccc(cc1)SC 34a_100000212337_100000748600 [0,2,0,0,0,0|0,1,1]=4 11457 B13R1.371 CC#CCOc1ccc(cc1)CC 34a_100000211359_100000748600 [0,2,0,0,0,0|1,0,1]=4 11458 B13R1.371 CC#CCOc1ccc(cc1)CC 7a_100000211359_100000748600 [0,2,0,0,0,0|1,0,1]=4 11459 B13R1.371 CC#CCOc1ccc(cc1)NC 34a_100000182112_100000748600 [0,2,0,0,0,0|1,0,1]=4 11460 B13R1.371 CC#CCOc1ccc(cc1)OC 34a_100000210503_100000748600 [0,2,0,0,0,0|0,0,1]=3 11461 B13R1.371 CC#CCOc1ccc(cc1)SC 34a_100000211864_100000748600 [0,2,0,0,0,0|0,1,1]=4 11462 B13R1.371 CC#CCOc1ccc(cn1)OC 34a_100012002028_100000748600 [0,2,0,0,0,0|1,0,1]=4 11463 B13R1.371 CC#CCOc1ccc(nc1)OC 34a_100011934560_100000748600 [0,2,0,0,0,0|1,0,1]=4 11464 B13R1.371 CC#CCSc1ccc(cc1)CC 62a_100000748600_100011215824 [0,2,0,0,0,0|1,0,1]=4 11465 B13R1.371 CC#CCSc1ccc(cc1)CC 62a_100011215824_100000748600 [0,2,0,0,0,0|1,0,1]=4 11466 B13R1.371 CC#CCSc1ccc(cc1)NC 62a_100000743151_100000748600 [0,2,0,0,0,0|1,0,1]=4 11467 B13R1.371 CC#CCSc1ccc(cc1)NC 62a_100000748600_100000743151 [0,2,0,0,0,0|1,0,1]=4 11468 B13R1.371 CC#CCSc1ccc(cc1)OC 62a_100000748600_100000171711 [0,2,0,0,0,0|0,0,1]=3 11469 B13R1.371 CC#CCSc1ccc(cc1)SC 62a_100000748600_100011263217 [0,2,0,0,0,0|0,1,1]=4 11470 B13R1.371 CC#CCSc1ccc(cc1)SC 62a_100011263217_100000748600 [0,2,0,0,0,0|0,1,1]=4 11471 B13R1.371 CC#CCSc1ccc(cn1)OC 62a_100000748600_100000744180 [0,2,0,0,0,0|1,0,1]=4 11472 B13R1.371 CC#CCSc1ccc(cn1)OC 62a_100000755202_100000748600 [0,2,0,0,0,0|1,0,1]=4 11473 B13R1.371 CC#CCSc1ccc(nc1)OC 62a_100000047065_100000748600 [0,2,0,0,0,0|1,0,1]=4 11474 B13R1.371 CC#CCSc1ccc(nc1)OC 62a_100000748600_100000047065 [0,2,0,0,0,0|1,0,1]=4 11475 B13R1.371 CC=CCNc1ccc(cc1)CC 2230a_100000211069_100000070051 [0,2,0,0,0,0|1,0,1]=4 11476 B13R1.371 CC=CCNc1ccc(cc1)CC 34a_100000211069_100000070051 [0,2,0,0,0,0|1,0,1]=4 11477 B13R1.371 CC=CCNc1ccc(cc1)OC 34a_100000184247_100000070051 [0,2,0,0,0,0|0,0,1]=3 11478 B13R1.371 CC=CCNc1ccc(cc1)SC 34a_100000212337_100000070051 [0,2,0,0,0,0|0,1,1]=4 11479 B13R1.371 CC=CCOc1ccc(cc1)CC 34a_100000211359_100000070051 [0,2,0,0,0,0|1,0,1]=4 11480 B13R1.371 CC=CCOc1ccc(cc1)CC 7a_100000211359_100000070051 [0,2,0,0,0,0|1,0,1]=4 11481 B13R1.371 CC=CCOc1ccc(cc1)NC 34a_100000182112_100000070051 [0,2,0,0,0,0|1,0,1]=4 11482 B13R1.371 CC=CCOc1ccc(cc1)OC 34a_100000210503_100000070051 [0,2,0,0,0,0|0,0,1]=3 11483 B13R1.371 CC=CCOc1ccc(cc1)SC 34a_100000211864_100000070051 [0,2,0,0,0,0|0,1,1]=4 11484 B13R1.371 CC=CCOc1ccc(cn1)OC 34a_100012002028_100000070051 [0,2,0,0,0,0|1,0,1]=4 11485 B13R1.371 CC=CCOc1ccc(nc1)OC 34a_100011934560_100000070051 [0,2,0,0,0,0|1,0,1]=4 11486 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100000070051_100011215824 [0,2,0,0,0,0|1,0,1]=4 11487 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100011215824_100000070051 [0,2,0,0,0,0|1,0,1]=4 11488 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000070051_100000743151 [0,2,0,0,0,0|1,0,1]=4 11489 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000743151_100000070051 [0,2,0,0,0,0|1,0,1]=4 11490 B13R1.371 CC=CCSc1ccc(cc1)OC 62a_100000070051_100000171711 [0,2,0,0,0,0|0,0,1]=3 11491 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100000070051_100011263217 [0,2,0,0,0,0|0,1,1]=4 11492 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100011263217_100000070051 [0,2,0,0,0,0|0,1,1]=4 11493 B13R1.371 CC=CCSc1ccc(cn1)OC 62a_100000070051_100000744180 [0,2,0,0,0,0|1,0,1]=4 11494 B13R1.371 CC=CCSc1ccc(cn1)OC 62a_100000755202_100000070051 [0,2,0,0,0,0|1,0,1]=4 11495 B13R1.371 CC=CCSc1ccc(nc1)OC 62a_100000047065_100000070051 [0,2,0,0,0,0|1,0,1]=4 11496 B13R1.371 CC=CCSc1ccc(nc1)OC 62a_100000070051_100000047065 [0,2,0,0,0,0|1,0,1]=4 11497 B13R1.371 CC=NNCc1ccc(cc1)OC 4a_100000741578_200000210099 [0,2,0,0,0,0|0,0,1]=3 11498 B13R1.371 CC=NNCc1ccc(cc1)SC 4a_102495366275_200000210099 [0,2,0,0,0,0|0,1,1]=4 11499 B13R1.371 CCC=NNc1ccc(cc1)CC 4a_100015204395_100000210100 [0,2,0,0,0,0|1,0,1]=4 11500 B13R1.371 CCC=NNc1ccc(cc1)OC 4a_100000005221_100000210100 [0,2,0,0,0,0|0,0,1]=3 11501 B13R1.371 CCC=NNc1ccc(cc1)SC 4a_100000006515_100000210100 [0,2,0,0,0,0|0,1,1]=4 11502 B13R1.371 CCC=NNc1ccc(nc1)OC 4a_100102564821_100000210100 [0,2,0,0,0,0|1,0,1]=4 11503 B13R1.371 CCCC=Cc1ccc(cc1)C#N 271570a_100016258520_100000179745 [0,2,0,0,0,0|2,0,0]=4 11504 B13R1.371 CCCC=Cc1ccc(cc1)C=O 271570a_100016258520_100000186029 [0,2,0,0,0,0|2,0,0]=4 11505 B13R1.371 CCCC=Cc1ccc(cc1)CC 271570a_100016258520_100011215824 [0,2,0,0,0,0|1,0,0]=3 11506 B13R1.371 CCCC=Cc1ccc(cc1)CF 271570a_100016258520_100010268989 [0,2,0,0,0,0|2,0,0]=4 11507 B13R1.371 CCCC=Cc1ccc(cc1)CN 271570a_100016258520_100016989417 [0,2,0,0,0,0|2,0,0]=4 11508 B13R1.371 CCCC=Cc1ccc(cc1)CO 271570a_100016258520_100000690907 [0,2,0,0,0,0|2,0,0]=4 11509 B13R1.371 CCCC=Cc1ccc(cc1)NC 271570a_100016258520_100000219623 [0,2,0,0,0,0|1,0,0]=3 11510 B13R1.371 CCCC=Cc1ccc(cc1)NN 271570a_100016258520_100016988836 [0,2,0,0,0,0|2,0,0]=4 11511 B13R1.371 CCCC=Cc1ccc(cc1)OC 271570a_100016258520_100000171711 [0,2,0,0,0,0|0,0,0]=2 11512 B13R1.371 CCCC=Cc1ccc(cc1)SC 271570a_100016258520_100011263217 [0,2,0,0,0,0|0,1,0]=3 11513 B13R1.371 CCCC=Cc1ccc(cn1)CC 271570a_100016258520_100009843584 [0,2,0,0,0,0|2,0,0]=4 11514 B13R1.371 CCCC=Cc1ccc(cn1)NC 271570a_100016258520_100000764248 [0,2,0,0,0,0|2,0,0]=4 11515 B13R1.371 CCCC=Cc1ccc(cn1)OC 271570a_100016258520_100000755202 [0,2,0,0,0,0|1,0,0]=3 11516 B13R1.371 CCCC=Cc1ccc(cn1)SC 271570a_100016258520_100009820866 [0,2,0,0,0,0|1,1,0]=4 11517 B13R1.371 CCCC=Cc1ccc(nc1)CC 271570a_100016258520_100009820025 [0,2,0,0,0,0|2,0,0]=4 11518 B13R1.371 CCCC=Cc1ccc(nc1)NC 271570a_100016258520_100000741341 [0,2,0,0,0,0|2,0,0]=4 11519 B13R1.371 CCCC=Cc1ccc(nc1)OC 271570a_100016258520_100000047065 [0,2,0,0,0,0|1,0,0]=3 11520 B13R1.371 CCCC=Cc1ccc(nc1)SC 271570a_100016258520_100011408404 [0,2,0,0,0,0|1,1,0]=4 11521 B13R1.371 CCCC=Cc1ccc(nn1)OC 271570a_100016258520_100009819040 [0,2,0,0,0,0|2,0,0]=4 11522 B13R1.371 CCCC=Cc1cnc(cn1)OC 271570a_100016258520_100011998698 [0,2,0,0,0,0|2,0,0]=4 11523 B13R1.371 CCCC=Cc1cnc(nc1)OC 271570a_100016258520_100000686852 [0,2,0,0,0,0|2,0,0]=4 11524 B13R1.371 CCCC=Cc1ncc(cn1)OC 271570a_100016258520_100000069167 [0,2,0,0,0,0|2,0,0]=4 11525 B13R1.371 CCCCCc1ccc(cc1)NC 2230a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 11526 B13R1.371 CCCCCc1ccc(cc1)NC 34a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 11527 B13R1.371 CCCCCc1ccc(cc1)NC 7a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 11528 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 2230a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 11529 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 34a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 11530 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 7a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 11531 B13R1.371 CCCCCc1ccc(cc1)OC 34a_100000179804_200000210301 [0,2,0,0,0,0|0,0,0]=2 11532 B13R1.371 CCCCCc1ccc(cc1)OC 7a_100000179804_200000210301 [0,2,0,0,0,0|0,0,0]=2 11533 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 34a_100000179804_200025704644 [0,2,0,0,0,0|0,0,0]=2 11534 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 7a_100000179804_200025704644 [0,2,0,0,0,0|0,0,0]=2 11535 B13R1.371 CCCCCc1ccc(cc1)SC 62a_100009813665_200000210301 [0,2,0,0,0,0|0,1,0]=3 11536 B13R1.371 CCCCCc1ccc(cc1)SC 62a_200000210301_100009813665 [0,2,0,0,0,0|0,1,0]=3 11537 B13R1.371 CCCCCc1ccc(cc1)S[13CH3] 62a_100009813665_200025704644 [0,2,0,0,0,0|0,1,0]=3 11538 B13R1.371 CCCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100009813665 [0,2,0,0,0,0|0,1,0]=3 11539 B13R1.371 CCCCNc1ccc(cc1)C#N 34a_100000185469_100000210210 [0,2,0,0,0,0|2,0,0]=4 11540 B13R1.371 CCCCNc1ccc(cc1)CC 2230a_100000211069_100000210211 [0,2,0,0,0,0|1,0,0]=3 11541 B13R1.371 CCCCNc1ccc(cc1)CC 34a_100000211069_100000210210 [0,2,0,0,0,0|1,0,0]=3 11542 B13R1.371 CCCCNc1ccc(cc1)CO 2230a_100011215238_100000210211 [0,2,0,0,0,0|2,0,0]=4 11543 B13R1.371 CCCCNc1ccc(cc1)CO 34a_100011215238_100000210210 [0,2,0,0,0,0|2,0,0]=4 11544 B13R1.371 CCCCNc1ccc(cc1)OC 34a_100000184247_100000210210 [0,2,0,0,0,0|0,0,0]=2 11545 B13R1.371 CCCCNc1ccc(cc1)SC 34a_100000212337_100000210210 [0,2,0,0,0,0|0,1,0]=3 11546 B13R1.371 CCCCNc1ccc(cn1)SC 27a_100000102301_100009820866 [0,2,0,0,0,0|1,1,0]=4 11547 B13R1.371 CCCCNc1ccc(cn1)SC 62a_200000210301_200011243049 [0,2,0,0,0,0|1,1,0]=4 11548 B13R1.371 CCCCNc1ccc(cn1)SC 62a_200011243049_200000210301 [0,2,0,0,0,0|1,1,0]=4 11549 B13R1.371 CCCCNc1ccc(cn1)S[13CH3] 62a_200011243049_200025704644 [0,2,0,0,0,0|1,1,0]=4 11550 B13R1.371 CCCCNc1ccc(cn1)S[13CH3] 62a_200025704644_200011243049 [0,2,0,0,0,0|1,1,0]=4 11551 B13R1.371 CCCCNc1ccc(nn1)OC 27a_100000102301_100010231723 [0,2,0,0,0,0|2,0,0]=4 11552 B13R1.371 CCCCNc1ncc(cn1)OC 27a_100000102301_100000069167 [0,2,0,0,0,0|2,0,0]=4 11553 B13R1.371 CCCCOc1ccc(cc1)C#N 34a_100000210344_100000210210 [0,2,0,0,0,0|2,0,0]=4 11554 B13R1.371 CCCCOc1ccc(cc1)C#N 7a_100000210344_100000210211 [0,2,0,0,0,0|2,0,0]=4 11555 B13R1.371 CCCCOc1ccc(cc1)CC 34a_100000211359_100000210210 [0,2,0,0,0,0|1,0,0]=3 11556 B13R1.371 CCCCOc1ccc(cc1)CC 7a_100000211359_100000210211 [0,2,0,0,0,0|1,0,0]=3 11557 B13R1.371 CCCCOc1ccc(cc1)CN 34a_100000185549_100000210210 [0,2,0,0,0,0|2,0,0]=4 11558 B13R1.371 CCCCOc1ccc(cc1)CO 34a_100000211755_100000210210 [0,2,0,0,0,0|2,0,0]=4 11559 B13R1.371 CCCCOc1ccc(cc1)NC 2230a_100011194258_200000210301 [0,2,0,0,0,0|1,0,0]=3 11560 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100000182112_100000210210 [0,2,0,0,0,0|1,0,0]=3 11561 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100011194258_200000210301 [0,2,0,0,0,0|1,0,0]=3 11562 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 2230a_100011194258_200025704644 [0,2,0,0,0,0|1,0,0]=3 11563 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 34a_100011194258_200025704644 [0,2,0,0,0,0|1,0,0]=3 11564 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [0,2,0,0,0,0|0,0,0]=2 11565 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [0,2,0,0,0,0|0,0,0]=2 11566 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [0,2,0,0,0,0|0,0,0]=2 11567 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [0,2,0,0,0,0|0,0,0]=2 11568 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [0,2,0,0,0,0|0,0,0]=2 11569 B13R1.371 CCCCOc1ccc(cc1)SC 34a_100000211864_100000210210 [0,2,0,0,0,0|0,1,0]=3 11570 B13R1.371 CCCCOc1ccc(cc1)SC 62a_200000210301_100000230682 [0,2,0,0,0,0|0,1,0]=3 11571 B13R1.371 CCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000230682 [0,2,0,0,0,0|0,1,0]=3 11572 B13R1.371 CCCCOc1ccc(cn1)OC 34a_100012002028_100000210210 [0,2,0,0,0,0|1,0,0]=3 11573 B13R1.371 CCCCOc1ccc(nc1)OC 34a_100011934560_100000210210 [0,2,0,0,0,0|1,0,0]=3 11574 B13R1.371 CCCCOc1cnc(nc1)OC 34a_100000099601_100000210210 [0,2,0,0,0,0|2,0,0]=4 11575 B13R1.371 CCCCOc1cnc(nc1)OC 7a_100000099601_100000210211 [0,2,0,0,0,0|2,0,0]=4 11576 B13R1.371 CCCCSc1ccc(cc1)C#N 62a_100000210211_100000184291 [0,2,0,0,0,0|2,0,0]=4 11577 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000188517_100000210210 [0,2,0,0,0,0|2,0,0]=4 11578 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000210211_100000188517 [0,2,0,0,0,0|2,0,0]=4 11579 B13R1.371 CCCCSc1ccc(cc1)CC 62a_100000210211_100011215824 [0,2,0,0,0,0|1,0,0]=3 11580 B13R1.371 CCCCSc1ccc(cc1)CC 62a_100011215824_100000210210 [0,2,0,0,0,0|1,0,0]=3 11581 B13R1.371 CCCCSc1ccc(cc1)CF 62a_100000210211_100010268989 [0,2,0,0,0,0|2,0,0]=4 11582 B13R1.371 CCCCSc1ccc(cc1)CF 62a_100010268989_100000210210 [0,2,0,0,0,0|2,0,0]=4 11583 B13R1.371 CCCCSc1ccc(cc1)CN 62a_100000210211_100016989417 [0,2,0,0,0,0|2,0,0]=4 11584 B13R1.371 CCCCSc1ccc(cc1)CN 62a_100016989417_100000210210 [0,2,0,0,0,0|2,0,0]=4 11585 B13R1.371 CCCCSc1ccc(cc1)CO 62a_100000210211_100000690907 [0,2,0,0,0,0|2,0,0]=4 11586 B13R1.371 CCCCSc1ccc(cc1)CO 62a_100000690907_100000210210 [0,2,0,0,0,0|2,0,0]=4 11587 B13R1.371 CCCCSc1ccc(cc1)NC 62a_100000210211_100000743151 [0,2,0,0,0,0|1,0,0]=3 11588 B13R1.371 CCCCSc1ccc(cc1)NC 62a_100000743151_100000210210 [0,2,0,0,0,0|1,0,0]=3 11589 B13R1.371 CCCCSc1ccc(cc1)NN 62a_100000210211_100016988836 [0,2,0,0,0,0|2,0,0]=4 11590 B13R1.371 CCCCSc1ccc(cc1)NN 62a_100016988836_100000210210 [0,2,0,0,0,0|2,0,0]=4 11591 B13R1.371 CCCCSc1ccc(cc1)OC 62a_100000210211_100000171711 [0,2,0,0,0,0|0,0,0]=2 11592 B13R1.371 CCCCSc1ccc(cc1)SC 62a_100000210211_100011263217 [0,2,0,0,0,0|0,1,0]=3 11593 B13R1.371 CCCCSc1ccc(cc1)SC 62a_100011263217_100000210210 [0,2,0,0,0,0|0,1,0]=3 11594 B13R1.371 CCCCSc1ccc(cn1)CC 62a_100000210211_100009843584 [0,2,0,0,0,0|2,0,0]=4 11595 B13R1.371 CCCCSc1ccc(cn1)CC 62a_100009843584_100000210210 [0,2,0,0,0,0|2,0,0]=4 11596 B13R1.371 CCCCSc1ccc(cn1)NC 62a_100000210211_100000764248 [0,2,0,0,0,0|2,0,0]=4 11597 B13R1.371 CCCCSc1ccc(cn1)NC 62a_100000764248_100000210210 [0,2,0,0,0,0|2,0,0]=4 11598 B13R1.371 CCCCSc1ccc(cn1)OC 62a_100000210211_100000744180 [0,2,0,0,0,0|1,0,0]=3 11599 B13R1.371 CCCCSc1ccc(cn1)OC 62a_100000755202_100000210210 [0,2,0,0,0,0|1,0,0]=3 11600 B13R1.371 CCCCSc1ccc(cn1)SC 62a_100000210211_100009820866 [0,2,0,0,0,0|1,1,0]=4 11601 B13R1.371 CCCCSc1ccc(cn1)SC 62a_100009820866_100000210210 [0,2,0,0,0,0|1,1,0]=4 11602 B13R1.371 CCCCSc1ccc(nc1)CC 62a_100000210211_100009820025 [0,2,0,0,0,0|2,0,0]=4 11603 B13R1.371 CCCCSc1ccc(nc1)CC 62a_100009820025_100000210210 [0,2,0,0,0,0|2,0,0]=4 11604 B13R1.371 CCCCSc1ccc(nc1)NC 62a_100000210211_100000741341 [0,2,0,0,0,0|2,0,0]=4 11605 B13R1.371 CCCCSc1ccc(nc1)NC 62a_100000741341_100000210210 [0,2,0,0,0,0|2,0,0]=4 11606 B13R1.371 CCCCSc1ccc(nc1)OC 62a_100000047065_100000210210 [0,2,0,0,0,0|1,0,0]=3 11607 B13R1.371 CCCCSc1ccc(nc1)OC 62a_100000210211_100000047065 [0,2,0,0,0,0|1,0,0]=3 11608 B13R1.371 CCCCSc1ccc(nc1)SC 62a_100000210211_100011408404 [0,2,0,0,0,0|1,1,0]=4 11609 B13R1.371 CCCCSc1ccc(nc1)SC 62a_100011408404_100000210210 [0,2,0,0,0,0|1,1,0]=4 11610 B13R1.371 CCCCSc1ccc(nn1)OC 62a_100000210211_100009819040 [0,2,0,0,0,0|2,0,0]=4 11611 B13R1.371 CCCCSc1ccc(nn1)OC 62a_100009819040_100000210210 [0,2,0,0,0,0|2,0,0]=4 11612 B13R1.371 CCCCSc1cnc(cn1)OC 62a_100000210211_100011998698 [0,2,0,0,0,0|2,0,0]=4 11613 B13R1.371 CCCCSc1cnc(cn1)OC 62a_100011998698_100000210210 [0,2,0,0,0,0|2,0,0]=4 11614 B13R1.371 CCCCSc1cnc(nc1)OC 62a_100000210211_100000686852 [0,2,0,0,0,0|2,0,0]=4 11615 B13R1.371 CCCCSc1cnc(nc1)OC 62a_100000686852_100000210210 [0,2,0,0,0,0|2,0,0]=4 11616 B13R1.371 CCCCSc1ncc(cn1)OC 62a_100000069167_100000210210 [0,2,0,0,0,0|2,0,0]=4 11617 B13R1.371 CCCCSc1ncc(cn1)OC 62a_100000210211_100000069167 [0,2,0,0,0,0|2,0,0]=4 11618 B13R1.371 CCCNCc1ccc(cc1)C#N 207a_100020643023_100000211122 [0,2,0,0,0,0|2,0,0]=4 11619 B13R1.371 CCCNCc1ccc(cc1)C#N 270004a_100020643023_100000211122 [0,2,0,0,0,0|2,0,0]=4 11620 B13R1.371 CCCNCc1ccc(cc1)C#N 34a_100015207190_100000210303 [0,2,0,0,0,0|2,0,0]=4 11621 B13R1.371 CCCNCc1ccc(cc1)CC 207a_100020643023_100000211036 [0,2,0,0,0,0|1,0,0]=3 11622 B13R1.371 CCCNCc1ccc(cc1)CC 2230a_100000721222_100000210303 [0,2,0,0,0,0|1,0,0]=3 11623 B13R1.371 CCCNCc1ccc(cc1)CC 270004a_100020643023_100000211036 [0,2,0,0,0,0|1,0,0]=3 11624 B13R1.371 CCCNCc1ccc(cc1)CC 34a_100000721222_100000210303 [0,2,0,0,0,0|1,0,0]=3 11625 B13R1.371 CCCNCc1ccc(cc1)CO 207a_100020643023_100009832023 [0,2,0,0,0,0|2,0,0]=4 11626 B13R1.371 CCCNCc1ccc(cc1)CO 2230a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 11627 B13R1.371 CCCNCc1ccc(cc1)CO 270004a_100020643023_100009832023 [0,2,0,0,0,0|2,0,0]=4 11628 B13R1.371 CCCNCc1ccc(cc1)CO 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 11629 B13R1.371 CCCNCc1ccc(cc1)OC 207a_100020643023_100000169835 [0,2,0,0,0,0|0,0,0]=2 11630 B13R1.371 CCCNCc1ccc(cc1)OC 270004a_100020643023_100000169835 [0,2,0,0,0,0|0,0,0]=2 11631 B13R1.371 CCCNCc1ccc(cc1)OC 34a_100000185587_100000210303 [0,2,0,0,0,0|0,0,0]=2 11632 B13R1.371 CCCNCc1ccc(cc1)SC 207a_100020643023_100000211154 [0,2,0,0,0,0|0,1,0]=3 11633 B13R1.371 CCCNCc1ccc(cc1)SC 2230a_100000174980_100000210303 [0,2,0,0,0,0|0,1,0]=3 11634 B13R1.371 CCCNCc1ccc(cc1)SC 270004a_100020643023_100000211154 [0,2,0,0,0,0|0,1,0]=3 11635 B13R1.371 CCCNCc1ccc(cc1)SC 34a_100000174980_100000210303 [0,2,0,0,0,0|0,1,0]=3 11636 B13R1.371 CCCNCc1ccc(cn1)CC 207a_100020643023_100000069529 [0,2,0,0,0,0|2,0,0]=4 11637 B13R1.371 CCCNCc1ccc(cn1)CC 2230a_100000069493_100000210303 [0,2,0,0,0,0|2,0,0]=4 11638 B13R1.371 CCCNCc1ccc(cn1)CC 270004a_100020643023_100000069529 [0,2,0,0,0,0|2,0,0]=4 11639 B13R1.371 CCCNCc1ccc(cn1)CC 34a_100000069493_100000210303 [0,2,0,0,0,0|2,0,0]=4 11640 B13R1.371 CCCNCc1ccc(cn1)OC 207a_100020643023_100000701244 [0,2,0,0,0,0|1,0,0]=3 11641 B13R1.371 CCCNCc1ccc(cn1)OC 270004a_100020643023_100000701244 [0,2,0,0,0,0|1,0,0]=3 11642 B13R1.371 CCCNCc1ccc(cn1)OC 34a_100000703904_100000210303 [0,2,0,0,0,0|1,0,0]=3 11643 B13R1.371 CCCNCc1ccc(nc1)OC 207a_100020643023_100000761633 [0,2,0,0,0,0|1,0,0]=3 11644 B13R1.371 CCCNCc1ccc(nc1)OC 2230a_100000241975_100000210303 [0,2,0,0,0,0|1,0,0]=3 11645 B13R1.371 CCCNCc1ccc(nc1)OC 270004a_100020643023_100000761633 [0,2,0,0,0,0|1,0,0]=3 11646 B13R1.371 CCCNCc1cnc(cn1)OC 207a_100020643023_100000099869 [0,2,0,0,0,0|2,0,0]=4 11647 B13R1.371 CCCNCc1cnc(cn1)OC 270004a_100020643023_100000099869 [0,2,0,0,0,0|2,0,0]=4 11648 B13R1.371 CCCNCc1cnc(nc1)OC 270004a_100020643023_100011202752 [0,2,0,0,0,0|2,0,0]=4 11649 B13R1.371 CCCNN=C1C=CC(=NCl)C=C1 4a_100000740057_100000088476 [0,2,0,0,0,0|2,0,0]=4 11650 B13R1.371 CCCNN=C1C=CC(=NO)C=C1 4a_100000740057_200000095120 [0,2,0,0,0,0|2,0,0]=4 11651 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000210258_100000184898 [0,2,0,0,0,0|2,0,0]=4 11652 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 11653 B13R1.371 CCCOCc1ccc(cc1)C#N 7a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 11654 B13R1.371 CCCOCc1ccc(cc1)C=O 34a_100000210258_100009816848 [0,2,0,0,0,0|2,0,0]=4 11655 B13R1.371 CCCOCc1ccc(cc1)CBr 34a_100012353999_100000210303 [0,2,0,0,0,0|2,0,0]=4 11656 B13R1.371 CCCOCc1ccc(cc1)CBr 7a_100012353999_100000210303 [0,2,0,0,0,0|2,0,0]=4 11657 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000210258_100000747183 [0,2,0,0,0,0|1,0,0]=3 11658 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000702245_100000210303 [0,2,0,0,0,0|1,0,0]=3 11659 B13R1.371 CCCOCc1ccc(cc1)CC 7a_100000702245_100000210303 [0,2,0,0,0,0|1,0,0]=3 11660 B13R1.371 CCCOCc1ccc(cc1)CCl 34a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 11661 B13R1.371 CCCOCc1ccc(cc1)CCl 7a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 11662 B13R1.371 CCCOCc1ccc(cc1)CN 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 11663 B13R1.371 CCCOCc1ccc(cc1)CO 34a_100000210258_100000067286 [0,2,0,0,0,0|2,0,0]=4 11664 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000173359_100000210303 [0,2,0,0,0,0|0,0,0]=2 11665 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000210258_100000742318 [0,2,0,0,0,0|0,0,0]=2 11666 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100000210258_100000181263 [0,2,0,0,0,0|0,1,0]=3 11667 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100011215404_100000210303 [0,2,0,0,0,0|0,1,0]=3 11668 B13R1.371 CCCOCc1ccc(cc1)SC 7a_100011215404_100000210303 [0,2,0,0,0,0|0,1,0]=3 11669 B13R1.371 CCCOCc1ccc(cn1)CC 34a_100000068455_100000210303 [0,2,0,0,0,0|2,0,0]=4 11670 B13R1.371 CCCOCc1ccc(cn1)OC 34a_100000210258_200000757186 [0,2,0,0,0,0|1,0,0]=3 11671 B13R1.371 CCCOCc1ccc(cn1)OC 34a_100011998694_100000210303 [0,2,0,0,0,0|1,0,0]=3 11672 B13R1.371 CCCOCc1ccc(nc1)OC 34a_100000210258_100020631284 [0,2,0,0,0,0|1,0,0]=3 11673 B13R1.371 CCCOCc1ccc(nc1)OC 34a_100000763316_100000210303 [0,2,0,0,0,0|1,0,0]=3 11674 B13R1.371 CCCSCc1ccc(cc1)C#N 62a_100000210303_100000184898 [0,2,0,0,0,0|2,0,0]=4 11675 B13R1.371 CCCSCc1ccc(cc1)C=O 62a_100000210303_100009816848 [0,2,0,0,0,0|2,0,0]=4 11676 B13R1.371 CCCSCc1ccc(cc1)C=O 62a_100009816848_100000210303 [0,2,0,0,0,0|2,0,0]=4 11677 B13R1.371 CCCSCc1ccc(cc1)CC 62a_100000210303_100000747183 [0,2,0,0,0,0|1,0,0]=3 11678 B13R1.371 CCCSCc1ccc(cc1)CC 62a_100000757233_100000210303 [0,2,0,0,0,0|1,0,0]=3 11679 B13R1.371 CCCSCc1ccc(cc1)CO 62a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 11680 B13R1.371 CCCSCc1ccc(cc1)CO 62a_100000210303_100000067286 [0,2,0,0,0,0|2,0,0]=4 11681 B13R1.371 CCCSCc1ccc(cc1)OC 62a_100000210303_100000742318 [0,2,0,0,0,0|0,0,0]=2 11682 B13R1.371 CCCSCc1ccc(cc1)SC 62a_100000181263_100000210303 [0,2,0,0,0,0|0,1,0]=3 11683 B13R1.371 CCCSCc1ccc(cc1)SC 62a_100000210303_100000181263 [0,2,0,0,0,0|0,1,0]=3 11684 B13R1.371 CCCSCc1ccc(cn1)OC 62a_100000210303_200000757186 [0,2,0,0,0,0|1,0,0]=3 11685 B13R1.371 CCCSCc1ccc(cn1)OC 62a_200000757186_100000210303 [0,2,0,0,0,0|1,0,0]=3 11686 B13R1.371 CCCSCc1ccc(nc1)OC 62a_100000210303_100020631284 [0,2,0,0,0,0|1,0,0]=3 11687 B13R1.371 CCCSCc1ccc(nc1)OC 62a_100020631284_100000210303 [0,2,0,0,0,0|1,0,0]=3 11688 B13R1.371 CCNCCc1ccc(cc1)C#N 2230a_100015189369_100000210202 [0,2,0,0,0,0|2,0,0]=4 11689 B13R1.371 CCNCCc1ccc(cc1)C#N 2230a_100015525214_100012161189 [0,2,0,0,0,0|2,0,0]=4 11690 B13R1.371 CCNCCc1ccc(cc1)C#N 34a_100015189369_100000210202 [0,2,0,0,0,0|2,0,0]=4 11691 B13R1.371 CCNCCc1ccc(cc1)CC 2230a_100025712186_100000210202 [0,2,0,0,0,0|1,0,0]=3 11692 B13R1.371 CCNCCc1ccc(cc1)CC 34a_100025712186_100000210202 [0,2,0,0,0,0|1,0,0]=3 11693 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100000210796_100000210202 [0,2,0,0,0,0|0,0,0]=2 11694 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100015525214_100011713689 [0,2,0,0,0,0|0,0,0]=2 11695 B13R1.371 CCNCCc1ccc(cc1)OC 270004a_100015525214_100011242372 [0,2,0,0,0,0|0,0,0]=2 11696 B13R1.371 CCNCCc1ccc(cc1)OC 34a_100000210796_100000210202 [0,2,0,0,0,0|0,0,0]=2 11697 B13R1.371 CCNCCc1ccc(nc1)OC 2230a_100011998949_100000210202 [0,2,0,0,0,0|1,0,0]=3 11698 B13R1.371 CCNCCc1ccc(nc1)OC 34a_100011998949_100000210202 [0,2,0,0,0,0|1,0,0]=3 11699 B13R1.371 CCNN=Cc1ccc(cc1)CC 4a_100000756455_100000211036 [0,2,0,0,0,0|1,0,1]=4 11700 B13R1.371 CCNN=Cc1ccc(cc1)OC 4a_100000756455_100000169835 [0,2,0,0,0,0|0,0,1]=3 11701 B13R1.371 CCNN=Cc1ccc(cc1)SC 4a_100000756455_100000211154 [0,2,0,0,0,0|0,1,1]=4 11702 B13R1.371 CCNN=Cc1ccc(cn1)OC 4a_100000756455_100000701244 [0,2,0,0,0,0|1,0,1]=4 11703 B13R1.371 CCNN=Cc1ccc(nc1)OC 4a_100000756455_100000761633 [0,2,0,0,0,0|1,0,1]=4 11704 B13R1.371 CCOC=Cc1ccc(cc1)CC 271570a_100016256518_100011215824 [0,2,0,0,0,0|1,0,1]=4 11705 B13R1.371 CCOC=Cc1ccc(cc1)NC 271570a_100016256518_100000219623 [0,2,0,0,0,0|1,0,1]=4 11706 B13R1.371 CCOC=Cc1ccc(cc1)OC 271570a_100016256518_100000171711 [0,2,0,0,0,0|0,0,1]=3 11707 B13R1.371 CCOC=Cc1ccc(cc1)SC 271570a_100016256518_100011263217 [0,2,0,0,0,0|0,1,1]=4 11708 B13R1.371 CCOC=Cc1ccc(cn1)OC 271570a_100016256518_100000755202 [0,2,0,0,0,0|1,0,1]=4 11709 B13R1.371 CCOC=Cc1ccc(nc1)OC 271570a_100016256518_100000047065 [0,2,0,0,0,0|1,0,1]=4 11710 B13R1.371 CCOCCc1ccc(cc1)C#N 34a_100011219507_100000210202 [0,2,0,0,0,0|2,0,0]=4 11711 B13R1.371 CCOCCc1ccc(cc1)C#N 34a_100121572206_100012161189 [0,2,0,0,0,0|2,0,0]=4 11712 B13R1.371 CCOCCc1ccc(cc1)C#N 7a_100011219507_100000210202 [0,2,0,0,0,0|2,0,0]=4 11713 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100011219623_100000210202 [0,2,0,0,0,0|0,0,0]=2 11714 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100121572206_100000184700 [0,2,0,0,0,0|0,0,0]=2 11715 B13R1.371 CCOCCc1ccc(cc1)OC 7a_100011219623_100000210202 [0,2,0,0,0,0|0,0,0]=2 11716 B13R1.371 CCOCCc1ccc(cn1)CC 34a_100000702088_100000210202 [0,2,0,0,0,0|2,0,0]=4 11717 B13R1.371 CCOCCc1ccc(cn1)CC 7a_100000702088_100000210202 [0,2,0,0,0,0|2,0,0]=4 11718 B13R1.371 CCOCSc1ccc(cc1)C#N 62a_100000739092_100000184291 [0,2,0,0,0,0|2,0,0]=4 11719 B13R1.371 CCOCSc1ccc(cc1)C=O 62a_100000188517_100000739092 [0,2,0,0,0,0|2,0,0]=4 11720 B13R1.371 CCOCSc1ccc(cc1)C=O 62a_100000739092_100000188517 [0,2,0,0,0,0|2,0,0]=4 11721 B13R1.371 CCOCSc1ccc(cc1)CC 62a_100000739092_100011215824 [0,2,0,0,0,0|1,0,0]=3 11722 B13R1.371 CCOCSc1ccc(cc1)CC 62a_100011215824_100000739092 [0,2,0,0,0,0|1,0,0]=3 11723 B13R1.371 CCOCSc1ccc(cc1)CF 62a_100000739092_100010268989 [0,2,0,0,0,0|2,0,0]=4 11724 B13R1.371 CCOCSc1ccc(cc1)CF 62a_100010268989_100000739092 [0,2,0,0,0,0|2,0,0]=4 11725 B13R1.371 CCOCSc1ccc(cc1)CN 62a_100000739092_100016989417 [0,2,0,0,0,0|2,0,0]=4 11726 B13R1.371 CCOCSc1ccc(cc1)CN 62a_100016989417_100000739092 [0,2,0,0,0,0|2,0,0]=4 11727 B13R1.371 CCOCSc1ccc(cc1)CO 62a_100000690907_100000739092 [0,2,0,0,0,0|2,0,0]=4 11728 B13R1.371 CCOCSc1ccc(cc1)CO 62a_100000739092_100000690907 [0,2,0,0,0,0|2,0,0]=4 11729 B13R1.371 CCOCSc1ccc(cc1)NC 62a_100000739092_100000743151 [0,2,0,0,0,0|1,0,0]=3 11730 B13R1.371 CCOCSc1ccc(cc1)NC 62a_100000743151_100000739092 [0,2,0,0,0,0|1,0,0]=3 11731 B13R1.371 CCOCSc1ccc(cc1)NN 62a_100000739092_100016988836 [0,2,0,0,0,0|2,0,0]=4 11732 B13R1.371 CCOCSc1ccc(cc1)NN 62a_100016988836_100000739092 [0,2,0,0,0,0|2,0,0]=4 11733 B13R1.371 CCOCSc1ccc(cc1)OC 62a_100000739092_100000171711 [0,2,0,0,0,0|0,0,0]=2 11734 B13R1.371 CCOCSc1ccc(cc1)SC 62a_100000739092_100011263217 [0,2,0,0,0,0|0,1,0]=3 11735 B13R1.371 CCOCSc1ccc(cc1)SC 62a_100011263217_100000739092 [0,2,0,0,0,0|0,1,0]=3 11736 B13R1.371 CCOCSc1ccc(cn1)CC 62a_100000739092_100009843584 [0,2,0,0,0,0|2,0,0]=4 11737 B13R1.371 CCOCSc1ccc(cn1)CC 62a_100009843584_100000739092 [0,2,0,0,0,0|2,0,0]=4 11738 B13R1.371 CCOCSc1ccc(cn1)NC 62a_100000739092_100000764248 [0,2,0,0,0,0|2,0,0]=4 11739 B13R1.371 CCOCSc1ccc(cn1)NC 62a_100000764248_100000739092 [0,2,0,0,0,0|2,0,0]=4 11740 B13R1.371 CCOCSc1ccc(cn1)OC 62a_100000739092_100000744180 [0,2,0,0,0,0|1,0,0]=3 11741 B13R1.371 CCOCSc1ccc(cn1)OC 62a_100000755202_100000739092 [0,2,0,0,0,0|1,0,0]=3 11742 B13R1.371 CCOCSc1ccc(cn1)SC 62a_100000739092_100009820866 [0,2,0,0,0,0|1,1,0]=4 11743 B13R1.371 CCOCSc1ccc(cn1)SC 62a_100009820866_100000739092 [0,2,0,0,0,0|1,1,0]=4 11744 B13R1.371 CCOCSc1ccc(nc1)CC 62a_100000739092_100009820025 [0,2,0,0,0,0|2,0,0]=4 11745 B13R1.371 CCOCSc1ccc(nc1)CC 62a_100009820025_100000739092 [0,2,0,0,0,0|2,0,0]=4 11746 B13R1.371 CCOCSc1ccc(nc1)NC 62a_100000739092_100000741341 [0,2,0,0,0,0|2,0,0]=4 11747 B13R1.371 CCOCSc1ccc(nc1)NC 62a_100000741341_100000739092 [0,2,0,0,0,0|2,0,0]=4 11748 B13R1.371 CCOCSc1ccc(nc1)OC 62a_100000047065_100000739092 [0,2,0,0,0,0|1,0,0]=3 11749 B13R1.371 CCOCSc1ccc(nc1)OC 62a_100000739092_100000047065 [0,2,0,0,0,0|1,0,0]=3 11750 B13R1.371 CCOCSc1ccc(nc1)SC 62a_100000739092_100011408404 [0,2,0,0,0,0|1,1,0]=4 11751 B13R1.371 CCOCSc1ccc(nc1)SC 62a_100011408404_100000739092 [0,2,0,0,0,0|1,1,0]=4 11752 B13R1.371 CCOCSc1ccc(nn1)OC 62a_100000739092_100009819040 [0,2,0,0,0,0|2,0,0]=4 11753 B13R1.371 CCOCSc1ccc(nn1)OC 62a_100009819040_100000739092 [0,2,0,0,0,0|2,0,0]=4 11754 B13R1.371 CCOCSc1cnc(cn1)OC 62a_100000739092_100011998698 [0,2,0,0,0,0|2,0,0]=4 11755 B13R1.371 CCOCSc1cnc(cn1)OC 62a_100011998698_100000739092 [0,2,0,0,0,0|2,0,0]=4 11756 B13R1.371 CCOCSc1cnc(nc1)OC 62a_100000686852_100000739092 [0,2,0,0,0,0|2,0,0]=4 11757 B13R1.371 CCOCSc1cnc(nc1)OC 62a_100000739092_100000686852 [0,2,0,0,0,0|2,0,0]=4 11758 B13R1.371 CCOCSc1ncc(cn1)OC 62a_100000069167_100000739092 [0,2,0,0,0,0|2,0,0]=4 11759 B13R1.371 CCOCSc1ncc(cn1)OC 62a_100000739092_100000069167 [0,2,0,0,0,0|2,0,0]=4 11760 B13R1.371 CCSCCc1ccc(cc1)C#N 62a_100000210202_100012161189 [0,2,0,0,0,0|2,0,0]=4 11761 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100000210202_100011713689 [0,2,0,0,0,0|0,0,0]=2 11762 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100011713689_100000210202 [0,2,0,0,0,0|0,0,0]=2 11763 B13R1.371 CCc1ccc(cc1)C=CCOC 271570a_100016286323_100011215824 [0,2,0,0,0,0|1,0,1]=4 11764 B13R1.371 CCc1ccc(cc1)CCNCF 34a_100025712186_100015361967 [0,2,0,0,0,0|1,0,0]=3 11765 B13R1.371 CCc1ccc(cc1)CNCC#N 2230a_100000721222_100011215382 [0,2,0,0,0,0|1,0,1]=4 11766 B13R1.371 CCc1ccc(cc1)CNCC=O 2230a_100000721222_200015260668 [0,2,0,0,0,0|1,0,1]=4 11767 B13R1.371 CCc1ccc(cc1)CNCC=O 34a_100000721222_200009817547 [0,2,0,0,0,0|1,0,1]=4 11768 B13R1.371 CCc1ccc(cc1)CNCCF 2230a_100000721222_100011217306 [0,2,0,0,0,0|1,0,0]=3 11769 B13R1.371 CCc1ccc(cc1)CNCCF 34a_100000721222_100011217306 [0,2,0,0,0,0|1,0,0]=3 11770 B13R1.371 CCc1ccc(cc1)CNCCF 34a_100000724931_100000747183 [0,2,0,0,0,0|1,0,0]=3 11771 B13R1.371 CCc1ccc(cc1)CNCCO 207a_100000210304_100000211036 [0,2,0,0,0,0|1,0,0]=3 11772 B13R1.371 CCc1ccc(cc1)CNCCO 2230a_100000721222_100000211926 [0,2,0,0,0,0|1,0,0]=3 11773 B13R1.371 CCc1ccc(cc1)CNCCO 2230a_100016997473_100000747183 [0,2,0,0,0,0|1,0,0]=3 11774 B13R1.371 CCc1ccc(cc1)CNCCO 270004a_100000210304_100000211036 [0,2,0,0,0,0|1,0,0]=3 11775 B13R1.371 CCc1ccc(cc1)CNCCO 34a_100000721222_100000211926 [0,2,0,0,0,0|1,0,0]=3 11776 B13R1.371 CCc1ccc(cc1)CNCCO 34a_100016990907_100000747183 [0,2,0,0,0,0|1,0,0]=3 11777 B13R1.371 CCc1ccc(cc1)CNCOC 2230a_100000721222_100000766300 [0,2,0,0,0,0|1,0,0]=3 11778 B13R1.371 CCc1ccc(cc1)CNCSC 2230a_100000721222_100011218213 [0,2,0,0,0,0|1,0,0]=3 11779 B13R1.371 CCc1ccc(cc1)CNCSC 34a_100000721222_100011218213 [0,2,0,0,0,0|1,0,0]=3 11780 B13R1.371 CCc1ccc(cc1)COCC#N 7a_100000702245_100011215382 [0,2,0,0,0,0|1,0,1]=4 11781 B13R1.371 CCc1ccc(cc1)COCC=O 34a_100000702245_200009817547 [0,2,0,0,0,0|1,0,1]=4 11782 B13R1.371 CCc1ccc(cc1)COCC=O 7a_100000702245_200015260668 [0,2,0,0,0,0|1,0,1]=4 11783 B13R1.371 CCc1ccc(cc1)COCCBr 34a_100000211926_100000747183 [0,2,0,0,0,0|1,0,0]=3 11784 B13R1.371 CCc1ccc(cc1)COCCF 34a_100000702245_100011217306 [0,2,0,0,0,0|1,0,0]=3 11785 B13R1.371 CCc1ccc(cc1)COCCF 7a_100000702245_100011217306 [0,2,0,0,0,0|1,0,0]=3 11786 B13R1.371 CCc1ccc(cc1)COCCN 34a_100000210304_100000747183 [0,2,0,0,0,0|1,0,0]=3 11787 B13R1.371 CCc1ccc(cc1)COCCO 34a_100000702245_100000211926 [0,2,0,0,0,0|1,0,0]=3 11788 B13R1.371 CCc1ccc(cc1)COCCO 7a_100000702245_100000211926 [0,2,0,0,0,0|1,0,0]=3 11789 B13R1.371 CCc1ccc(cc1)COCSC 34a_100000702245_100011218213 [0,2,0,0,0,0|1,0,0]=3 11790 B13R1.371 CCc1ccc(cc1)CSCC#N 62a_100000757233_100011215382 [0,2,0,0,0,0|1,0,1]=4 11791 B13R1.371 CCc1ccc(cc1)CSCC#N 62a_100011215382_100000747183 [0,2,0,0,0,0|1,0,1]=4 11792 B13R1.371 CCc1ccc(cc1)CSCC=O 62a_100000757233_200015260668 [0,2,0,0,0,0|1,0,1]=4 11793 B13R1.371 CCc1ccc(cc1)CSCC=O 62a_200015260668_100000747183 [0,2,0,0,0,0|1,0,1]=4 11794 B13R1.371 CCc1ccc(cc1)CSCCF 62a_100000757233_100011217306 [0,2,0,0,0,0|1,0,0]=3 11795 B13R1.371 CCc1ccc(cc1)CSCCF 62a_100011217306_100000747183 [0,2,0,0,0,0|1,0,0]=3 11796 B13R1.371 CCc1ccc(cc1)CSCCO 62a_100000211926_100000747183 [0,2,0,0,0,0|1,0,0]=3 11797 B13R1.371 CCc1ccc(cc1)CSCCO 62a_100000757233_100000211926 [0,2,0,0,0,0|1,0,0]=3 11798 B13R1.371 CCc1ccc(cc1)CSCOC 62a_100000757233_100000766300 [0,2,0,0,0,0|1,0,0]=3 11799 B13R1.371 CCc1ccc(cc1)CSCOC 62a_100000766300_100000747183 [0,2,0,0,0,0|1,0,0]=3 11800 B13R1.371 CCc1ccc(cc1)CSCSC 62a_100000757233_100011218213 [0,2,0,0,0,0|1,0,0]=3 11801 B13R1.371 CCc1ccc(cc1)CSCSC 62a_100011218213_100000747183 [0,2,0,0,0,0|1,0,0]=3 11802 B13R1.371 CCc1ccc(cc1)NCCC#N 2230a_100000211069_100011215226 [0,2,0,0,0,0|1,0,1]=4 11803 B13R1.371 CCc1ccc(cc1)NCCCF 2230a_100000211069_100011934791 [0,2,0,0,0,0|1,0,0]=3 11804 B13R1.371 CCc1ccc(cc1)NCCCF 34a_100000211069_100011934791 [0,2,0,0,0,0|1,0,0]=3 11805 B13R1.371 CCc1ccc(cc1)NCCCO 2230a_100000211069_100000230001 [0,2,0,0,0,0|1,0,0]=3 11806 B13R1.371 CCc1ccc(cc1)NCCCO 34a_100000211069_100000230001 [0,2,0,0,0,0|1,0,0]=3 11807 B13R1.371 CCc1ccc(cc1)NCCOC 2230a_100000211069_100011201679 [0,2,0,0,0,0|1,0,0]=3 11808 B13R1.371 CCc1ccc(cc1)NCCOC 34a_100000211069_100011201679 [0,2,0,0,0,0|1,0,0]=3 11809 B13R1.371 CCc1ccc(cc1)NCCSC 2230a_100000211069_100000751147 [0,2,0,0,0,0|1,0,0]=3 11810 B13R1.371 CCc1ccc(cc1)NCCSC 34a_100000211069_100000212216 [0,2,0,0,0,0|1,0,0]=3 11811 B13R1.371 CCc1ccc(cc1)OCCC#N 7a_100000211359_100000184422 [0,2,0,0,0,0|1,0,1]=4 11812 B13R1.371 CCc1ccc(cc1)OCCCF 34a_100000211359_100011934791 [0,2,0,0,0,0|1,0,0]=3 11813 B13R1.371 CCc1ccc(cc1)OCCCF 7a_100000211359_100011934791 [0,2,0,0,0,0|1,0,0]=3 11814 B13R1.371 CCc1ccc(cc1)OCCCO 34a_100000211359_100000230001 [0,2,0,0,0,0|1,0,0]=3 11815 B13R1.371 CCc1ccc(cc1)OCCCO 7a_100000211359_100011215043 [0,2,0,0,0,0|1,0,0]=3 11816 B13R1.371 CCc1ccc(cc1)OCCOC 34a_100000211359_100011201679 [0,2,0,0,0,0|1,0,0]=3 11817 B13R1.371 CCc1ccc(cc1)OCCOC 7a_100000211359_100000233755 [0,2,0,0,0,0|1,0,0]=3 11818 B13R1.371 CCc1ccc(cc1)OCCSC 34a_100000211359_100000212216 [0,2,0,0,0,0|1,0,0]=3 11819 B13R1.371 CCc1ccc(cc1)OCCSC 7a_100000211359_100000212216 [0,2,0,0,0,0|1,0,0]=3 11820 B13R1.371 CCc1ccc(cc1)SCCC#N 62a_100011215226_100011215824 [0,2,0,0,0,0|1,0,1]=4 11821 B13R1.371 CCc1ccc(cc1)SCCC#N 62a_100011215824_100011215226 [0,2,0,0,0,0|1,0,1]=4 11822 B13R1.371 CCc1ccc(cc1)SCCCF 62a_100011215824_100011934791 [0,2,0,0,0,0|1,0,0]=3 11823 B13R1.371 CCc1ccc(cc1)SCCCF 62a_100011934791_100011215824 [0,2,0,0,0,0|1,0,0]=3 11824 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215043_100011215824 [0,2,0,0,0,0|1,0,0]=3 11825 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215824_100011215043 [0,2,0,0,0,0|1,0,0]=3 11826 B13R1.371 CCc1ccc(cc1)SCCOC 62a_100000233755_100011215824 [0,2,0,0,0,0|1,0,0]=3 11827 B13R1.371 CCc1ccc(cc1)SCCOC 62a_100011215824_100000233755 [0,2,0,0,0,0|1,0,0]=3 11828 B13R1.371 CCc1ccc(cc1)SCCSC 62a_100000212216_100011215824 [0,2,0,0,0,0|1,0,0]=3 11829 B13R1.371 CCc1ccc(cc1)SCCSC 62a_100011215824_100000751147 [0,2,0,0,0,0|1,0,0]=3 11830 B13R1.371 CCc1ccc(cn1)SCCCF 62a_100009820025_100011934791 [0,2,0,0,0,0|2,0,0]=4 11831 B13R1.371 CCc1ccc(cn1)SCCCF 62a_100011934791_100009820025 [0,2,0,0,0,0|2,0,0]=4 11832 B13R1.371 CCc1ccc(cn1)SCCCO 62a_100009820025_100011215043 [0,2,0,0,0,0|2,0,0]=4 11833 B13R1.371 CCc1ccc(cn1)SCCCO 62a_100011215043_100009820025 [0,2,0,0,0,0|2,0,0]=4 11834 B13R1.371 CCc1ccc(cn1)SCCOC 62a_100000233755_100009820025 [0,2,0,0,0,0|2,0,0]=4 11835 B13R1.371 CCc1ccc(cn1)SCCOC 62a_100009820025_100000233755 [0,2,0,0,0,0|2,0,0]=4 11836 B13R1.371 CCc1ccc(cn1)SCCSC 62a_100000212216_100009820025 [0,2,0,0,0,0|2,0,0]=4 11837 B13R1.371 CCc1ccc(cn1)SCCSC 62a_100009820025_100000751147 [0,2,0,0,0,0|2,0,0]=4 11838 B13R1.371 CCc1ccc(nc1)CCOCF 34a_100000702088_100015361967 [0,2,0,0,0,0|2,0,0]=4 11839 B13R1.371 CCc1ccc(nc1)CCOCF 7a_100000702088_100015361967 [0,2,0,0,0,0|2,0,0]=4 11840 B13R1.371 CCc1ccc(nc1)CNCCF 2230a_100000069493_100011217306 [0,2,0,0,0,0|2,0,0]=4 11841 B13R1.371 CCc1ccc(nc1)CNCCF 34a_100000069493_100011217306 [0,2,0,0,0,0|2,0,0]=4 11842 B13R1.371 CCc1ccc(nc1)CNCCO 207a_100000210304_100000069529 [0,2,0,0,0,0|2,0,0]=4 11843 B13R1.371 CCc1ccc(nc1)CNCCO 2230a_100000069493_100000211926 [0,2,0,0,0,0|2,0,0]=4 11844 B13R1.371 CCc1ccc(nc1)CNCCO 270004a_100000210304_100000069529 [0,2,0,0,0,0|2,0,0]=4 11845 B13R1.371 CCc1ccc(nc1)CNCCO 34a_100000069493_100000211926 [0,2,0,0,0,0|2,0,0]=4 11846 B13R1.371 CCc1ccc(nc1)CNCOC 2230a_100000069493_100000766300 [0,2,0,0,0,0|2,0,0]=4 11847 B13R1.371 CCc1ccc(nc1)CNCSC 2230a_100000069493_100011218213 [0,2,0,0,0,0|2,0,0]=4 11848 B13R1.371 CCc1ccc(nc1)CNCSC 34a_100000069493_100011218213 [0,2,0,0,0,0|2,0,0]=4 11849 B13R1.371 CCc1ccc(nc1)COCCF 34a_100000068455_100011217306 [0,2,0,0,0,0|2,0,0]=4 11850 B13R1.371 CCc1ccc(nc1)COCCO 34a_100000068455_100000211926 [0,2,0,0,0,0|2,0,0]=4 11851 B13R1.371 CCc1ccc(nc1)COCSC 34a_100000068455_100011218213 [0,2,0,0,0,0|2,0,0]=4 11852 B13R1.371 CCc1ccc(nc1)SCCCF 62a_100009843584_100011934791 [0,2,0,0,0,0|2,0,0]=4 11853 B13R1.371 CCc1ccc(nc1)SCCCF 62a_100011934791_100009843584 [0,2,0,0,0,0|2,0,0]=4 11854 B13R1.371 CCc1ccc(nc1)SCCCO 62a_100009843584_100011215043 [0,2,0,0,0,0|2,0,0]=4 11855 B13R1.371 CCc1ccc(nc1)SCCCO 62a_100011215043_100009843584 [0,2,0,0,0,0|2,0,0]=4 11856 B13R1.371 CCc1ccc(nc1)SCCOC 62a_100000233755_100009843584 [0,2,0,0,0,0|2,0,0]=4 11857 B13R1.371 CCc1ccc(nc1)SCCOC 62a_100009843584_100000233755 [0,2,0,0,0,0|2,0,0]=4 11858 B13R1.371 CCc1ccc(nc1)SCCSC 62a_100000212216_100009843584 [0,2,0,0,0,0|2,0,0]=4 11859 B13R1.371 CCc1ccc(nc1)SCCSC 62a_100009843584_100000751147 [0,2,0,0,0,0|2,0,0]=4 11860 B13R1.371 CNCC=Cc1ccc(cc1)OC 270004a_106832991635_100016259823 [0,2,0,0,0,0|0,0,1]=3 11861 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_100015185942_200000210301 [0,2,0,0,0,0|0,0,0]=2 11862 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_106832991635_100011740616 [0,2,0,0,0,0|0,0,0]=2 11863 B13R1.371 CNCCCc1ccc(cc1)OC 270004a_106832991635_100011361577 [0,2,0,0,0,0|0,0,0]=2 11864 B13R1.371 CNCCCc1ccc(cc1)OC 34a_100015185942_200000210301 [0,2,0,0,0,0|0,0,0]=2 11865 B13R1.371 CNCCCc1ccc(cc1)OC 7a_106832991635_100011740616 [0,2,0,0,0,0|0,0,0]=2 11866 B13R1.371 CNCCOc1ccc(cc1)C#N 2230a_106832991635_100000184558 [0,2,0,0,0,0|2,0,0]=4 11867 B13R1.371 CNCCOc1ccc(cc1)C#N 34a_100000759831_200000210301 [0,2,0,0,0,0|2,0,0]=4 11868 B13R1.371 CNCCOc1ccc(cc1)C#N 34a_100102657272_100000184558 [0,2,0,0,0,0|2,0,0]=4 11869 B13R1.371 CNCCOc1ccc(cc1)C#N 7a_106832991635_100000184558 [0,2,0,0,0,0|2,0,0]=4 11870 B13R1.371 CNCCOc1ccc(cc1)C=O 2230a_106832991635_100000040479 [0,2,0,0,0,0|2,0,0]=4 11871 B13R1.371 CNCCOc1ccc(cc1)C=O 34a_100102657272_100000040479 [0,2,0,0,0,0|2,0,0]=4 11872 B13R1.371 CNCCOc1ccc(cc1)C=O 7a_106832991635_100000040479 [0,2,0,0,0,0|2,0,0]=4 11873 B13R1.371 CNCCOc1ccc(cc1)OC 2230a_100000174941_200000210301 [0,2,0,0,0,0|0,0,0]=2 11874 B13R1.371 CNCCOc1ccc(cc1)OC 2230a_106832991635_100000183225 [0,2,0,0,0,0|0,0,0]=2 11875 B13R1.371 CNCCOc1ccc(cc1)OC 34a_100000174941_200000210301 [0,2,0,0,0,0|0,0,0]=2 11876 B13R1.371 CNCCOc1ccc(cc1)OC 34a_100102657272_100000183225 [0,2,0,0,0,0|0,0,0]=2 11877 B13R1.371 CNCCOc1ccc(cc1)OC 7a_106832991635_100000183225 [0,2,0,0,0,0|0,0,0]=2 11878 B13R1.371 CNCCOc1ccc(cc1)SC 2230a_100011893652_200000210301 [0,2,0,0,0,0|0,1,0]=3 11879 B13R1.371 CNCCOc1ccc(cc1)SC 34a_100011893652_200000210301 [0,2,0,0,0,0|0,1,0]=3 11880 B13R1.371 CNc1ccc(cc1)C=CCOC 271570a_100016286323_100000219623 [0,2,0,0,0,0|1,0,1]=4 11881 B13R1.371 CNc1ccc(cc1)OCCCF 34a_100000182112_100011934791 [0,2,0,0,0,0|1,0,0]=3 11882 B13R1.371 CNc1ccc(cc1)OCCCO 2230a_100000730458_200000210301 [0,2,0,0,0,0|1,0,0]=3 11883 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000182112_100000230001 [0,2,0,0,0,0|1,0,0]=3 11884 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000730458_200000210301 [0,2,0,0,0,0|1,0,0]=3 11885 B13R1.371 CNc1ccc(cc1)OCCOC 2230a_100000739146_200000210301 [0,2,0,0,0,0|1,0,0]=3 11886 B13R1.371 CNc1ccc(cc1)OCCOC 34a_100000182112_100011201679 [0,2,0,0,0,0|1,0,0]=3 11887 B13R1.371 CNc1ccc(cc1)OCCOC 34a_100000739146_200000210301 [0,2,0,0,0,0|1,0,0]=3 11888 B13R1.371 CNc1ccc(cc1)OCCSC 34a_100000182112_100000212216 [0,2,0,0,0,0|1,0,0]=3 11889 B13R1.371 CNc1ccc(cc1)SCCC#N 62a_100000743151_100011215226 [0,2,0,0,0,0|1,0,1]=4 11890 B13R1.371 CNc1ccc(cc1)SCCC#N 62a_100011215226_100000743151 [0,2,0,0,0,0|1,0,1]=4 11891 B13R1.371 CNc1ccc(cc1)SCCCF 62a_100000743151_100011934791 [0,2,0,0,0,0|1,0,0]=3 11892 B13R1.371 CNc1ccc(cc1)SCCCF 62a_100011934791_100000743151 [0,2,0,0,0,0|1,0,0]=3 11893 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100000743151_100011215043 [0,2,0,0,0,0|1,0,0]=3 11894 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100011215043_100000743151 [0,2,0,0,0,0|1,0,0]=3 11895 B13R1.371 CNc1ccc(cc1)SCCOC 62a_100000233755_100000743151 [0,2,0,0,0,0|1,0,0]=3 11896 B13R1.371 CNc1ccc(cc1)SCCOC 62a_100000743151_100000233755 [0,2,0,0,0,0|1,0,0]=3 11897 B13R1.371 CNc1ccc(cc1)SCCSC 62a_100000212216_100000743151 [0,2,0,0,0,0|1,0,0]=3 11898 B13R1.371 CNc1ccc(cc1)SCCSC 62a_100000743151_100000751147 [0,2,0,0,0,0|1,0,0]=3 11899 B13R1.371 CNc1ccc(cn1)SCCCF 62a_100000741341_100011934791 [0,2,0,0,0,0|2,0,0]=4 11900 B13R1.371 CNc1ccc(cn1)SCCCF 62a_100011934791_100000741341 [0,2,0,0,0,0|2,0,0]=4 11901 B13R1.371 CNc1ccc(cn1)SCCCO 62a_100000741341_100011215043 [0,2,0,0,0,0|2,0,0]=4 11902 B13R1.371 CNc1ccc(cn1)SCCCO 62a_100011215043_100000741341 [0,2,0,0,0,0|2,0,0]=4 11903 B13R1.371 CNc1ccc(cn1)SCCOC 62a_100000233755_100000741341 [0,2,0,0,0,0|2,0,0]=4 11904 B13R1.371 CNc1ccc(cn1)SCCOC 62a_100000741341_100000233755 [0,2,0,0,0,0|2,0,0]=4 11905 B13R1.371 CNc1ccc(cn1)SCCSC 62a_100000212216_100000741341 [0,2,0,0,0,0|2,0,0]=4 11906 B13R1.371 CNc1ccc(cn1)SCCSC 62a_100000741341_100000751147 [0,2,0,0,0,0|2,0,0]=4 11907 B13R1.371 CNc1ccc(nc1)SCCCF 62a_100000764248_100011934791 [0,2,0,0,0,0|2,0,0]=4 11908 B13R1.371 CNc1ccc(nc1)SCCCF 62a_100011934791_100000764248 [0,2,0,0,0,0|2,0,0]=4 11909 B13R1.371 CNc1ccc(nc1)SCCCO 62a_100000764248_100011215043 [0,2,0,0,0,0|2,0,0]=4 11910 B13R1.371 CNc1ccc(nc1)SCCCO 62a_100011215043_100000764248 [0,2,0,0,0,0|2,0,0]=4 11911 B13R1.371 CNc1ccc(nc1)SCCOC 62a_100000233755_100000764248 [0,2,0,0,0,0|2,0,0]=4 11912 B13R1.371 CNc1ccc(nc1)SCCOC 62a_100000764248_100000233755 [0,2,0,0,0,0|2,0,0]=4 11913 B13R1.371 CNc1ccc(nc1)SCCSC 62a_100000212216_100000764248 [0,2,0,0,0,0|2,0,0]=4 11914 B13R1.371 CNc1ccc(nc1)SCCSC 62a_100000764248_100000751147 [0,2,0,0,0,0|2,0,0]=4 11915 B13R1.371 COC/C=C/c1ccc(cc1)OC 34a_200016269047_200000210301 [0,2,0,0,0,0|0,0,1]=3 11916 B13R1.371 COCC=Cc1ccc(cc1)OC 271570a_100016286323_100000171711 [0,2,0,0,0,0|0,0,1]=3 11917 B13R1.371 COCC=Cc1ccc(cc1)SC 271570a_100016286323_100011263217 [0,2,0,0,0,0|0,1,1]=4 11918 B13R1.371 COCC=Cc1ccc(cn1)OC 271570a_100016286323_100000755202 [0,2,0,0,0,0|1,0,1]=4 11919 B13R1.371 COCC=Cc1ccc(nc1)OC 271570a_100016286323_100000047065 [0,2,0,0,0,0|1,0,1]=4 11920 B13R1.371 COCCCc1ccc(cc1)C#N 34a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 11921 B13R1.371 COCCCc1ccc(cc1)C#N 7a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 11922 B13R1.371 COCCCc1ccc(cc1)OC 34a_100011215180_200000210301 [0,2,0,0,0,0|0,0,0]=2 11923 B13R1.371 COCCCc1ccc(cc1)OC 7a_100011215180_200000210301 [0,2,0,0,0,0|0,0,0]=2 11924 B13R1.371 COCCNc1ccc(cc1)C#N 34a_100000185469_100011201679 [0,2,0,0,0,0|2,0,0]=4 11925 B13R1.371 COCCNc1ccc(cc1)CN 34a_102495363707_200000210301 [0,2,0,0,0,0|2,0,0]=4 11926 B13R1.371 COCCNc1ccc(cc1)CO 2230a_100011215238_100011201679 [0,2,0,0,0,0|2,0,0]=4 11927 B13R1.371 COCCNc1ccc(cc1)CO 34a_100011215238_100011201679 [0,2,0,0,0,0|2,0,0]=4 11928 B13R1.371 COCCNc1ccc(cc1)OC 34a_100000184247_100011201679 [0,2,0,0,0,0|0,0,0]=2 11929 B13R1.371 COCCNc1ccc(cc1)SC 34a_100000212337_100011201679 [0,2,0,0,0,0|0,1,0]=3 11930 B13R1.371 COCCNc1ccc(cn1)SC 27a_100000209980_100009820866 [0,2,0,0,0,0|1,1,0]=4 11931 B13R1.371 COCCNc1ccc(nn1)OC 27a_100000209980_100010231723 [0,2,0,0,0,0|2,0,0]=4 11932 B13R1.371 COCCNc1ncc(cn1)OC 27a_100000209980_100000069167 [0,2,0,0,0,0|2,0,0]=4 11933 B13R1.371 COCCOc1ccc(cc1)C#N 34a_100000210344_100011201679 [0,2,0,0,0,0|2,0,0]=4 11934 B13R1.371 COCCOc1ccc(cc1)C#N 34a_100000230533_200000210301 [0,2,0,0,0,0|2,0,0]=4 11935 B13R1.371 COCCOc1ccc(cc1)C#N 34a_100138415774_100000184558 [0,2,0,0,0,0|2,0,0]=4 11936 B13R1.371 COCCOc1ccc(cc1)C#N 7a_100000210344_100000233755 [0,2,0,0,0,0|2,0,0]=4 11937 B13R1.371 COCCOc1ccc(cc1)C#N 7a_100000230533_200000210301 [0,2,0,0,0,0|2,0,0]=4 11938 B13R1.371 COCCOc1ccc(cc1)C=O 34a_100138415774_100000040479 [0,2,0,0,0,0|2,0,0]=4 11939 B13R1.371 COCCOc1ccc(cc1)CN 34a_100000185549_100011201679 [0,2,0,0,0,0|2,0,0]=4 11940 B13R1.371 COCCOc1ccc(cc1)CO 34a_100000211755_100011201679 [0,2,0,0,0,0|2,0,0]=4 11941 B13R1.371 COCCOc1ccc(cc1)N[13CH3] 2230a_100000739146_200025704644 [0,2,0,0,0,0|1,0,0]=3 11942 B13R1.371 COCCOc1ccc(cc1)N[13CH3] 34a_100000739146_200025704644 [0,2,0,0,0,0|1,0,0]=3 11943 B13R1.371 COCCOc1ccc(cc1)OC 34a_100000210503_100011201679 [0,2,0,0,0,0|0,0,0]=2 11944 B13R1.371 COCCOc1ccc(cc1)OC 34a_100000726821_200000210301 [0,2,0,0,0,0|0,0,0]=2 11945 B13R1.371 COCCOc1ccc(cc1)OC 34a_100138415774_100000183225 [0,2,0,0,0,0|0,0,0]=2 11946 B13R1.371 COCCOc1ccc(cc1)OC 34a_200011305860_200000210301 [0,2,0,0,0,0|0,0,0]=2 11947 B13R1.371 COCCOc1ccc(cc1)O[13CH3] 34a_100000726821_200025704644 [0,2,0,0,0,0|0,0,0]=2 11948 B13R1.371 COCCOc1ccc(cc1)SC 34a_100000211864_100011201679 [0,2,0,0,0,0|0,1,0]=3 11949 B13R1.371 COCCOc1ccc(cc1)SC 62a_100000234135_200000210301 [0,2,0,0,0,0|0,1,0]=3 11950 B13R1.371 COCCOc1ccc(cc1)SC 62a_200000210301_100000234135 [0,2,0,0,0,0|0,1,0]=3 11951 B13R1.371 COCCOc1ccc(cc1)S[13CH3] 62a_100000234135_200025704644 [0,2,0,0,0,0|0,1,0]=3 11952 B13R1.371 COCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000234135 [0,2,0,0,0,0|0,1,0]=3 11953 B13R1.371 COCCOc1ccc(cn1)OC 34a_100012002028_100011201679 [0,2,0,0,0,0|1,0,0]=3 11954 B13R1.371 COCCOc1ccc(cn1)SC 62a_100000758753_200000210301 [0,2,0,0,0,0|1,1,0]=4 11955 B13R1.371 COCCOc1ccc(cn1)SC 62a_200000210301_100000758753 [0,2,0,0,0,0|1,1,0]=4 11956 B13R1.371 COCCOc1ccc(cn1)S[13CH3] 62a_100000758753_200025704644 [0,2,0,0,0,0|1,1,0]=4 11957 B13R1.371 COCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100000758753 [0,2,0,0,0,0|1,1,0]=4 11958 B13R1.371 COCCOc1ccc(nc1)OC 34a_100011934560_100011201679 [0,2,0,0,0,0|1,0,0]=3 11959 B13R1.371 COCCOc1cnc(nc1)OC 34a_100000099601_100011201679 [0,2,0,0,0,0|2,0,0]=4 11960 B13R1.371 COCCOc1cnc(nc1)OC 7a_100000099601_100000233755 [0,2,0,0,0,0|2,0,0]=4 11961 B13R1.371 COCCSc1ccc(cc1)C#N 62a_100000233755_100000184291 [0,2,0,0,0,0|2,0,0]=4 11962 B13R1.371 COCCSc1ccc(cc1)C=O 62a_100000188517_100000233755 [0,2,0,0,0,0|2,0,0]=4 11963 B13R1.371 COCCSc1ccc(cc1)C=O 62a_100000233755_100000188517 [0,2,0,0,0,0|2,0,0]=4 11964 B13R1.371 COCCSc1ccc(cc1)CF 62a_100000233755_100010268989 [0,2,0,0,0,0|2,0,0]=4 11965 B13R1.371 COCCSc1ccc(cc1)CF 62a_100010268989_100000233755 [0,2,0,0,0,0|2,0,0]=4 11966 B13R1.371 COCCSc1ccc(cc1)CN 62a_100000233755_100016989417 [0,2,0,0,0,0|2,0,0]=4 11967 B13R1.371 COCCSc1ccc(cc1)CN 62a_100016989417_100000233755 [0,2,0,0,0,0|2,0,0]=4 11968 B13R1.371 COCCSc1ccc(cc1)CO 62a_100000233755_100000690907 [0,2,0,0,0,0|2,0,0]=4 11969 B13R1.371 COCCSc1ccc(cc1)CO 62a_100000690907_100000233755 [0,2,0,0,0,0|2,0,0]=4 11970 B13R1.371 COCCSc1ccc(cc1)NN 62a_100000233755_100016988836 [0,2,0,0,0,0|2,0,0]=4 11971 B13R1.371 COCCSc1ccc(cc1)NN 62a_100016988836_100000233755 [0,2,0,0,0,0|2,0,0]=4 11972 B13R1.371 COCCSc1ccc(cc1)OC 62a_100000233755_100000171711 [0,2,0,0,0,0|0,0,0]=2 11973 B13R1.371 COCCSc1ccc(cc1)SC 62a_100000233755_100011263217 [0,2,0,0,0,0|0,1,0]=3 11974 B13R1.371 COCCSc1ccc(cc1)SC 62a_100011263217_100000233755 [0,2,0,0,0,0|0,1,0]=3 11975 B13R1.371 COCCSc1ccc(cc1)SC 62a_200000210301_200009813259 [0,2,0,0,0,0|0,1,0]=3 11976 B13R1.371 COCCSc1ccc(cc1)SC 62a_200009813259_200000210301 [0,2,0,0,0,0|0,1,0]=3 11977 B13R1.371 COCCSc1ccc(cc1)S[13CH3] 62a_200009813259_200025704644 [0,2,0,0,0,0|0,1,0]=3 11978 B13R1.371 COCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009813259 [0,2,0,0,0,0|0,1,0]=3 11979 B13R1.371 COCCSc1ccc(cn1)OC 62a_100000233755_100000744180 [0,2,0,0,0,0|1,0,0]=3 11980 B13R1.371 COCCSc1ccc(cn1)OC 62a_100000755202_100000233755 [0,2,0,0,0,0|1,0,0]=3 11981 B13R1.371 COCCSc1ccc(cn1)SC 62a_100000233755_100009820866 [0,2,0,0,0,0|1,1,0]=4 11982 B13R1.371 COCCSc1ccc(cn1)SC 62a_100009820866_100000233755 [0,2,0,0,0,0|1,1,0]=4 11983 B13R1.371 COCCSc1ccc(nc1)OC 62a_100000047065_100000233755 [0,2,0,0,0,0|1,0,0]=3 11984 B13R1.371 COCCSc1ccc(nc1)OC 62a_100000233755_100000047065 [0,2,0,0,0,0|1,0,0]=3 11985 B13R1.371 COCCSc1ccc(nc1)SC 62a_100000233755_100011408404 [0,2,0,0,0,0|1,1,0]=4 11986 B13R1.371 COCCSc1ccc(nc1)SC 62a_100011408404_100000233755 [0,2,0,0,0,0|1,1,0]=4 11987 B13R1.371 COCCSc1ccc(nn1)OC 62a_100000233755_100009819040 [0,2,0,0,0,0|2,0,0]=4 11988 B13R1.371 COCCSc1ccc(nn1)OC 62a_100009819040_100000233755 [0,2,0,0,0,0|2,0,0]=4 11989 B13R1.371 COCCSc1cnc(cn1)OC 62a_100000233755_100011998698 [0,2,0,0,0,0|2,0,0]=4 11990 B13R1.371 COCCSc1cnc(cn1)OC 62a_100011998698_100000233755 [0,2,0,0,0,0|2,0,0]=4 11991 B13R1.371 COCCSc1cnc(nc1)OC 62a_100000233755_100000686852 [0,2,0,0,0,0|2,0,0]=4 11992 B13R1.371 COCCSc1cnc(nc1)OC 62a_100000686852_100000233755 [0,2,0,0,0,0|2,0,0]=4 11993 B13R1.371 COCCSc1ncc(cn1)OC 62a_100000069167_100000233755 [0,2,0,0,0,0|2,0,0]=4 11994 B13R1.371 COCCSc1ncc(cn1)OC 62a_100000233755_100000069167 [0,2,0,0,0,0|2,0,0]=4 11995 B13R1.371 COCNCc1ccc(cc1)CO 2230a_100015189231_100000766300 [0,2,0,0,0,0|2,0,0]=4 11996 B13R1.371 COCNCc1ccc(cc1)SC 2230a_100000174980_100000766300 [0,2,0,0,0,0|0,1,0]=3 11997 B13R1.371 COCNCc1ccc(nc1)OC 2230a_100000241975_100000766300 [0,2,0,0,0,0|1,0,0]=3 11998 B13R1.371 COCSCc1ccc(cc1)C#N 62a_100000766300_100000184898 [0,2,0,0,0,0|2,0,0]=4 11999 B13R1.371 COCSCc1ccc(cc1)C=O 62a_100000766300_100009816848 [0,2,0,0,0,0|2,0,0]=4 12000 B13R1.371 COCSCc1ccc(cc1)C=O 62a_100009816848_100000766300 [0,2,0,0,0,0|2,0,0]=4 12001 B13R1.371 COCSCc1ccc(cc1)CO 62a_100000067286_100000766300 [0,2,0,0,0,0|2,0,0]=4 12002 B13R1.371 COCSCc1ccc(cc1)CO 62a_100000766300_100000067286 [0,2,0,0,0,0|2,0,0]=4 12003 B13R1.371 COCSCc1ccc(cc1)OC 62a_100000766300_100000742318 [0,2,0,0,0,0|0,0,0]=2 12004 B13R1.371 COCSCc1ccc(cc1)SC 62a_100000181263_100000766300 [0,2,0,0,0,0|0,1,0]=3 12005 B13R1.371 COCSCc1ccc(cc1)SC 62a_100000766300_100000181263 [0,2,0,0,0,0|0,1,0]=3 12006 B13R1.371 COCSCc1ccc(cn1)OC 62a_100000766300_200000757186 [0,2,0,0,0,0|1,0,0]=3 12007 B13R1.371 COCSCc1ccc(cn1)OC 62a_200000757186_100000766300 [0,2,0,0,0,0|1,0,0]=3 12008 B13R1.371 COCSCc1ccc(nc1)OC 62a_100000766300_100020631284 [0,2,0,0,0,0|1,0,0]=3 12009 B13R1.371 COCSCc1ccc(nc1)OC 62a_100020631284_100000766300 [0,2,0,0,0,0|1,0,0]=3 12010 B13R1.371 COc1ccc(cc1)/C=C/CO[13CH3] 34a_200016269047_200025704644 [0,2,0,0,0,0|0,0,1]=3 12011 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 2230a_100015185942_200025704644 [0,2,0,0,0,0|0,0,0]=2 12012 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 34a_100015185942_200025704644 [0,2,0,0,0,0|0,0,0]=2 12013 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 34a_100011215180_200025704644 [0,2,0,0,0,0|0,0,0]=2 12014 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 7a_100011215180_200025704644 [0,2,0,0,0,0|0,0,0]=2 12015 B13R1.371 COc1ccc(cc1)CCCSC 62a_100011740616_200000210301 [0,2,0,0,0,0|0,0,0]=2 12016 B13R1.371 COc1ccc(cc1)CCCSC 62a_200000210301_100011740616 [0,2,0,0,0,0|0,0,0]=2 12017 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_100011740616_200025704644 [0,2,0,0,0,0|0,0,0]=2 12018 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_200025704644_100011740616 [0,2,0,0,0,0|0,0,0]=2 12019 B13R1.371 COc1ccc(cc1)CCNCF 34a_100000210796_100015361967 [0,2,0,0,0,0|0,0,0]=2 12020 B13R1.371 COc1ccc(cc1)CCOCF 34a_100011219623_100015361967 [0,2,0,0,0,0|0,0,0]=2 12021 B13R1.371 COc1ccc(cc1)CCOCF 7a_100011219623_100015361967 [0,2,0,0,0,0|0,0,0]=2 12022 B13R1.371 COc1ccc(cc1)CCSCF 62a_100011713689_100015361967 [0,2,0,0,0,0|0,0,0]=2 12023 B13R1.371 COc1ccc(cc1)CCSCF 62a_100015361967_100011713689 [0,2,0,0,0,0|0,0,0]=2 12024 B13R1.371 COc1ccc(cc1)CNCC=O 34a_100000185587_200009817547 [0,2,0,0,0,0|0,0,1]=3 12025 B13R1.371 COc1ccc(cc1)CNCCF 34a_100000185587_100011217306 [0,2,0,0,0,0|0,0,0]=2 12026 B13R1.371 COc1ccc(cc1)CNCCF 34a_100000724931_100000742318 [0,2,0,0,0,0|0,0,0]=2 12027 B13R1.371 COc1ccc(cc1)CNCCO 207a_100000210304_100000169835 [0,2,0,0,0,0|0,0,0]=2 12028 B13R1.371 COc1ccc(cc1)CNCCO 2230a_100016997473_100000742318 [0,2,0,0,0,0|0,0,0]=2 12029 B13R1.371 COc1ccc(cc1)CNCCO 270004a_100000210304_100000169835 [0,2,0,0,0,0|0,0,0]=2 12030 B13R1.371 COc1ccc(cc1)CNCCO 34a_100000185587_100000211926 [0,2,0,0,0,0|0,0,0]=2 12031 B13R1.371 COc1ccc(cc1)CNCCO 34a_100016990907_100000742318 [0,2,0,0,0,0|0,0,0]=2 12032 B13R1.371 COc1ccc(cc1)CNCSC 34a_100000185587_100011218213 [0,2,0,0,0,0|0,0,0]=2 12033 B13R1.371 COc1ccc(cc1)COCC=O 34a_100000173359_200009817547 [0,2,0,0,0,0|0,0,1]=3 12034 B13R1.371 COc1ccc(cc1)COCCBr 34a_100000211926_100000742318 [0,2,0,0,0,0|0,0,0]=2 12035 B13R1.371 COc1ccc(cc1)COCCF 34a_100000173359_100011217306 [0,2,0,0,0,0|0,0,0]=2 12036 B13R1.371 COc1ccc(cc1)COCCN 34a_100000210304_100000742318 [0,2,0,0,0,0|0,0,0]=2 12037 B13R1.371 COc1ccc(cc1)COCCO 34a_100000173359_100000211926 [0,2,0,0,0,0|0,0,0]=2 12038 B13R1.371 COc1ccc(cc1)COCSC 34a_100000173359_100011218213 [0,2,0,0,0,0|0,0,0]=2 12039 B13R1.371 COc1ccc(cc1)CSCC#N 62a_100011215382_100000742318 [0,2,0,0,0,0|0,0,1]=3 12040 B13R1.371 COc1ccc(cc1)CSCC=O 62a_200015260668_100000742318 [0,2,0,0,0,0|0,0,1]=3 12041 B13R1.371 COc1ccc(cc1)CSCCF 62a_100011217306_100000742318 [0,2,0,0,0,0|0,0,0]=2 12042 B13R1.371 COc1ccc(cc1)CSCCO 62a_100000211926_100000742318 [0,2,0,0,0,0|0,0,0]=2 12043 B13R1.371 COc1ccc(cc1)CSCSC 62a_100011218213_100000742318 [0,2,0,0,0,0|0,0,0]=2 12044 B13R1.371 COc1ccc(cc1)NCCCF 34a_100000184247_100011934791 [0,2,0,0,0,0|0,0,0]=2 12045 B13R1.371 COc1ccc(cc1)NCCCO 34a_100000184247_100000230001 [0,2,0,0,0,0|0,0,0]=2 12046 B13R1.371 COc1ccc(cc1)NCCSC 34a_100000184247_100000212216 [0,2,0,0,0,0|0,0,0]=2 12047 B13R1.371 COc1ccc(cc1)OCCCF 34a_100000210503_100011934791 [0,2,0,0,0,0|0,0,0]=2 12048 B13R1.371 COc1ccc(cc1)OCCCO 34a_100000210503_100000230001 [0,2,0,0,0,0|0,0,0]=2 12049 B13R1.371 COc1ccc(cc1)OCCN[13CH3] 2230a_100000174941_200025704644 [0,2,0,0,0,0|0,0,0]=2 12050 B13R1.371 COc1ccc(cc1)OCCN[13CH3] 34a_100000174941_200025704644 [0,2,0,0,0,0|0,0,0]=2 12051 B13R1.371 COc1ccc(cc1)OCCO[13CH3] 34a_200011305860_200025704644 [0,2,0,0,0,0|0,0,0]=2 12052 B13R1.371 COc1ccc(cc1)OCCSC 34a_100000210503_100000212216 [0,2,0,0,0,0|0,0,0]=2 12053 B13R1.371 COc1ccc(cc1)OCCSC 62a_100000183225_200000210301 [0,2,0,0,0,0|0,0,0]=2 12054 B13R1.371 COc1ccc(cc1)OCCSC 62a_200000210301_100000183225 [0,2,0,0,0,0|0,0,0]=2 12055 B13R1.371 COc1ccc(cc1)OCCS[13CH3] 62a_100000183225_200025704644 [0,2,0,0,0,0|0,0,0]=2 12056 B13R1.371 COc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183225 [0,2,0,0,0,0|0,0,0]=2 12057 B13R1.371 COc1ccc(cc1)SCCC#N 62a_100011215226_100000171711 [0,2,0,0,0,0|0,0,1]=3 12058 B13R1.371 COc1ccc(cc1)SCCCF 62a_100011934791_100000171711 [0,2,0,0,0,0|0,0,0]=2 12059 B13R1.371 COc1ccc(cc1)SCCCO 62a_100011215043_100000171711 [0,2,0,0,0,0|0,0,0]=2 12060 B13R1.371 COc1ccc(cc1)SCCSC 62a_100000212216_100000171711 [0,2,0,0,0,0|0,0,0]=2 12061 B13R1.371 COc1ccc(cc1)SCSC#N 62a_100000211825_100000171711 [0,2,0,0,0,0|1,0,1]=4 12062 B13R1.371 COc1ccc(cn1)CCNCF 34a_100011998949_100015361967 [0,2,0,0,0,0|1,0,0]=3 12063 B13R1.371 COc1ccc(cn1)CNCC#N 2230a_100000241975_100011215382 [0,2,0,0,0,0|1,0,1]=4 12064 B13R1.371 COc1ccc(cn1)CNCC=O 2230a_100000241975_200015260668 [0,2,0,0,0,0|1,0,1]=4 12065 B13R1.371 COc1ccc(cn1)CNCCF 2230a_100000241975_100011217306 [0,2,0,0,0,0|1,0,0]=3 12066 B13R1.371 COc1ccc(cn1)CNCCF 34a_100000724931_100020631284 [0,2,0,0,0,0|1,0,0]=3 12067 B13R1.371 COc1ccc(cn1)CNCCO 207a_100000210304_100000761633 [0,2,0,0,0,0|1,0,0]=3 12068 B13R1.371 COc1ccc(cn1)CNCCO 2230a_100000241975_100000211926 [0,2,0,0,0,0|1,0,0]=3 12069 B13R1.371 COc1ccc(cn1)CNCCO 2230a_100016997473_100020631284 [0,2,0,0,0,0|1,0,0]=3 12070 B13R1.371 COc1ccc(cn1)CNCCO 270004a_100000210304_100000761633 [0,2,0,0,0,0|1,0,0]=3 12071 B13R1.371 COc1ccc(cn1)CNCCO 34a_100016990907_100020631284 [0,2,0,0,0,0|1,0,0]=3 12072 B13R1.371 COc1ccc(cn1)CNCSC 2230a_100000241975_100011218213 [0,2,0,0,0,0|1,0,0]=3 12073 B13R1.371 COc1ccc(cn1)COCC=O 34a_100000763316_200009817547 [0,2,0,0,0,0|1,0,1]=4 12074 B13R1.371 COc1ccc(cn1)COCCBr 34a_100000211926_100020631284 [0,2,0,0,0,0|1,0,0]=3 12075 B13R1.371 COc1ccc(cn1)COCCF 34a_100000763316_100011217306 [0,2,0,0,0,0|1,0,0]=3 12076 B13R1.371 COc1ccc(cn1)COCCN 34a_100000210304_100020631284 [0,2,0,0,0,0|1,0,0]=3 12077 B13R1.371 COc1ccc(cn1)COCCO 34a_100000763316_100000211926 [0,2,0,0,0,0|1,0,0]=3 12078 B13R1.371 COc1ccc(cn1)COCSC 34a_100000763316_100011218213 [0,2,0,0,0,0|1,0,0]=3 12079 B13R1.371 COc1ccc(cn1)CSCC#N 62a_100011215382_100020631284 [0,2,0,0,0,0|1,0,1]=4 12080 B13R1.371 COc1ccc(cn1)CSCC#N 62a_100020631284_100011215382 [0,2,0,0,0,0|1,0,1]=4 12081 B13R1.371 COc1ccc(cn1)CSCC=O 62a_100020631284_200015260668 [0,2,0,0,0,0|1,0,1]=4 12082 B13R1.371 COc1ccc(cn1)CSCC=O 62a_200015260668_100020631284 [0,2,0,0,0,0|1,0,1]=4 12083 B13R1.371 COc1ccc(cn1)CSCCF 62a_100011217306_100020631284 [0,2,0,0,0,0|1,0,0]=3 12084 B13R1.371 COc1ccc(cn1)CSCCF 62a_100020631284_100011217306 [0,2,0,0,0,0|1,0,0]=3 12085 B13R1.371 COc1ccc(cn1)CSCCO 62a_100000211926_100020631284 [0,2,0,0,0,0|1,0,0]=3 12086 B13R1.371 COc1ccc(cn1)CSCCO 62a_100020631284_100000211926 [0,2,0,0,0,0|1,0,0]=3 12087 B13R1.371 COc1ccc(cn1)CSCSC 62a_100011218213_100020631284 [0,2,0,0,0,0|1,0,0]=3 12088 B13R1.371 COc1ccc(cn1)CSCSC 62a_100020631284_100011218213 [0,2,0,0,0,0|1,0,0]=3 12089 B13R1.371 COc1ccc(cn1)OCCCF 34a_100011934560_100011934791 [0,2,0,0,0,0|1,0,0]=3 12090 B13R1.371 COc1ccc(cn1)OCCCO 34a_100011934560_100000230001 [0,2,0,0,0,0|1,0,0]=3 12091 B13R1.371 COc1ccc(cn1)OCCSC 34a_100011934560_100000212216 [0,2,0,0,0,0|1,0,0]=3 12092 B13R1.371 COc1ccc(cn1)SCCC#N 62a_100000047065_100011215226 [0,2,0,0,0,0|1,0,1]=4 12093 B13R1.371 COc1ccc(cn1)SCCC#N 62a_100011215226_100000047065 [0,2,0,0,0,0|1,0,1]=4 12094 B13R1.371 COc1ccc(cn1)SCCCF 62a_100000047065_100011934791 [0,2,0,0,0,0|1,0,0]=3 12095 B13R1.371 COc1ccc(cn1)SCCCF 62a_100011934791_100000047065 [0,2,0,0,0,0|1,0,0]=3 12096 B13R1.371 COc1ccc(cn1)SCCCO 62a_100000047065_100011215043 [0,2,0,0,0,0|1,0,0]=3 12097 B13R1.371 COc1ccc(cn1)SCCCO 62a_100011215043_100000047065 [0,2,0,0,0,0|1,0,0]=3 12098 B13R1.371 COc1ccc(cn1)SCCSC 62a_100000047065_100000751147 [0,2,0,0,0,0|1,0,0]=3 12099 B13R1.371 COc1ccc(cn1)SCCSC 62a_100000212216_100000047065 [0,2,0,0,0,0|1,0,0]=3 12100 B13R1.371 COc1ccc(nc1)CNCC=O 34a_100000703904_200009817547 [0,2,0,0,0,0|1,0,1]=4 12101 B13R1.371 COc1ccc(nc1)CNCCF 34a_100000703904_100011217306 [0,2,0,0,0,0|1,0,0]=3 12102 B13R1.371 COc1ccc(nc1)CNCCF 34a_100000724931_200000757186 [0,2,0,0,0,0|1,0,0]=3 12103 B13R1.371 COc1ccc(nc1)CNCCO 207a_100000210304_100000701244 [0,2,0,0,0,0|1,0,0]=3 12104 B13R1.371 COc1ccc(nc1)CNCCO 2230a_100016997473_200000757186 [0,2,0,0,0,0|1,0,0]=3 12105 B13R1.371 COc1ccc(nc1)CNCCO 270004a_100000210304_100000701244 [0,2,0,0,0,0|1,0,0]=3 12106 B13R1.371 COc1ccc(nc1)CNCCO 34a_100000703904_100000211926 [0,2,0,0,0,0|1,0,0]=3 12107 B13R1.371 COc1ccc(nc1)CNCCO 34a_100016990907_200000757186 [0,2,0,0,0,0|1,0,0]=3 12108 B13R1.371 COc1ccc(nc1)CNCSC 34a_100000703904_100011218213 [0,2,0,0,0,0|1,0,0]=3 12109 B13R1.371 COc1ccc(nc1)COCC=O 34a_100011998694_200009817547 [0,2,0,0,0,0|1,0,1]=4 12110 B13R1.371 COc1ccc(nc1)COCCBr 34a_100000211926_200000757186 [0,2,0,0,0,0|1,0,0]=3 12111 B13R1.371 COc1ccc(nc1)COCCF 34a_100011998694_100011217306 [0,2,0,0,0,0|1,0,0]=3 12112 B13R1.371 COc1ccc(nc1)COCCN 34a_100000210304_200000757186 [0,2,0,0,0,0|1,0,0]=3 12113 B13R1.371 COc1ccc(nc1)COCCO 34a_100011998694_100000211926 [0,2,0,0,0,0|1,0,0]=3 12114 B13R1.371 COc1ccc(nc1)COCSC 34a_100011998694_100011218213 [0,2,0,0,0,0|1,0,0]=3 12115 B13R1.371 COc1ccc(nc1)CSCC#N 62a_100011215382_200000757186 [0,2,0,0,0,0|1,0,1]=4 12116 B13R1.371 COc1ccc(nc1)CSCC#N 62a_200000757186_100011215382 [0,2,0,0,0,0|1,0,1]=4 12117 B13R1.371 COc1ccc(nc1)CSCC=O 62a_200000757186_200015260668 [0,2,0,0,0,0|1,0,1]=4 12118 B13R1.371 COc1ccc(nc1)CSCC=O 62a_200015260668_200000757186 [0,2,0,0,0,0|1,0,1]=4 12119 B13R1.371 COc1ccc(nc1)CSCCF 62a_100011217306_200000757186 [0,2,0,0,0,0|1,0,0]=3 12120 B13R1.371 COc1ccc(nc1)CSCCF 62a_200000757186_100011217306 [0,2,0,0,0,0|1,0,0]=3 12121 B13R1.371 COc1ccc(nc1)CSCCO 62a_100000211926_200000757186 [0,2,0,0,0,0|1,0,0]=3 12122 B13R1.371 COc1ccc(nc1)CSCCO 62a_200000757186_100000211926 [0,2,0,0,0,0|1,0,0]=3 12123 B13R1.371 COc1ccc(nc1)CSCSC 62a_100011218213_200000757186 [0,2,0,0,0,0|1,0,0]=3 12124 B13R1.371 COc1ccc(nc1)CSCSC 62a_200000757186_100011218213 [0,2,0,0,0,0|1,0,0]=3 12125 B13R1.371 COc1ccc(nc1)OCCCF 34a_100012002028_100011934791 [0,2,0,0,0,0|1,0,0]=3 12126 B13R1.371 COc1ccc(nc1)OCCCO 34a_100012002028_100000230001 [0,2,0,0,0,0|1,0,0]=3 12127 B13R1.371 COc1ccc(nc1)OCCSC 34a_100012002028_100000212216 [0,2,0,0,0,0|1,0,0]=3 12128 B13R1.371 COc1ccc(nc1)SCCC#N 62a_100000755202_100011215226 [0,2,0,0,0,0|1,0,1]=4 12129 B13R1.371 COc1ccc(nc1)SCCC#N 62a_100011215226_100000744180 [0,2,0,0,0,0|1,0,1]=4 12130 B13R1.371 COc1ccc(nc1)SCCCF 62a_100000755202_100011934791 [0,2,0,0,0,0|1,0,0]=3 12131 B13R1.371 COc1ccc(nc1)SCCCF 62a_100011934791_100000744180 [0,2,0,0,0,0|1,0,0]=3 12132 B13R1.371 COc1ccc(nc1)SCCCO 62a_100000755202_100011215043 [0,2,0,0,0,0|1,0,0]=3 12133 B13R1.371 COc1ccc(nc1)SCCCO 62a_100011215043_100000744180 [0,2,0,0,0,0|1,0,0]=3 12134 B13R1.371 COc1ccc(nc1)SCCSC 62a_100000212216_100000744180 [0,2,0,0,0,0|1,0,0]=3 12135 B13R1.371 COc1ccc(nc1)SCCSC 62a_100000755202_100000751147 [0,2,0,0,0,0|1,0,0]=3 12136 B13R1.371 COc1ccc(nn1)NCCCF 27a_100015189416_100010231723 [0,2,0,0,0,0|2,0,0]=4 12137 B13R1.371 COc1ccc(nn1)NCCCO 27a_100000182051_100010231723 [0,2,0,0,0,0|2,0,0]=4 12138 B13R1.371 COc1ccc(nn1)NCCSC 27a_100020590264_100010231723 [0,2,0,0,0,0|2,0,0]=4 12139 B13R1.371 COc1ccc(nn1)SCCCF 62a_100009819040_100011934791 [0,2,0,0,0,0|2,0,0]=4 12140 B13R1.371 COc1ccc(nn1)SCCCF 62a_100011934791_100009819040 [0,2,0,0,0,0|2,0,0]=4 12141 B13R1.371 COc1ccc(nn1)SCCCO 62a_100009819040_100011215043 [0,2,0,0,0,0|2,0,0]=4 12142 B13R1.371 COc1ccc(nn1)SCCCO 62a_100011215043_100009819040 [0,2,0,0,0,0|2,0,0]=4 12143 B13R1.371 COc1ccc(nn1)SCCSC 62a_100000212216_100009819040 [0,2,0,0,0,0|2,0,0]=4 12144 B13R1.371 COc1ccc(nn1)SCCSC 62a_100009819040_100000751147 [0,2,0,0,0,0|2,0,0]=4 12145 B13R1.371 COc1cnc(cn1)CNCCO 207a_100000210304_100000099869 [0,2,0,0,0,0|2,0,0]=4 12146 B13R1.371 COc1cnc(cn1)CNCCO 270004a_100000210304_100000099869 [0,2,0,0,0,0|2,0,0]=4 12147 B13R1.371 COc1cnc(cn1)SCCCF 62a_100011934791_100011998698 [0,2,0,0,0,0|2,0,0]=4 12148 B13R1.371 COc1cnc(cn1)SCCCF 62a_100011998698_100011934791 [0,2,0,0,0,0|2,0,0]=4 12149 B13R1.371 COc1cnc(cn1)SCCCO 62a_100011215043_100011998698 [0,2,0,0,0,0|2,0,0]=4 12150 B13R1.371 COc1cnc(cn1)SCCCO 62a_100011998698_100011215043 [0,2,0,0,0,0|2,0,0]=4 12151 B13R1.371 COc1cnc(cn1)SCCSC 62a_100000212216_100011998698 [0,2,0,0,0,0|2,0,0]=4 12152 B13R1.371 COc1cnc(cn1)SCCSC 62a_100011998698_100000751147 [0,2,0,0,0,0|2,0,0]=4 12153 B13R1.371 COc1cnc(nc1)NCCCF 27a_100015189416_100000069167 [0,2,0,0,0,0|2,0,0]=4 12154 B13R1.371 COc1cnc(nc1)NCCCO 27a_100000182051_100000069167 [0,2,0,0,0,0|2,0,0]=4 12155 B13R1.371 COc1cnc(nc1)NCCSC 27a_100020590264_100000069167 [0,2,0,0,0,0|2,0,0]=4 12156 B13R1.371 COc1cnc(nc1)SCCCF 62a_100000069167_100011934791 [0,2,0,0,0,0|2,0,0]=4 12157 B13R1.371 COc1cnc(nc1)SCCCF 62a_100011934791_100000069167 [0,2,0,0,0,0|2,0,0]=4 12158 B13R1.371 COc1cnc(nc1)SCCCO 62a_100000069167_100011215043 [0,2,0,0,0,0|2,0,0]=4 12159 B13R1.371 COc1cnc(nc1)SCCCO 62a_100011215043_100000069167 [0,2,0,0,0,0|2,0,0]=4 12160 B13R1.371 COc1cnc(nc1)SCCSC 62a_100000069167_100000751147 [0,2,0,0,0,0|2,0,0]=4 12161 B13R1.371 COc1cnc(nc1)SCCSC 62a_100000212216_100000069167 [0,2,0,0,0,0|2,0,0]=4 12162 B13R1.371 COc1ncc(cn1)CNCCO 270004a_100000210304_100011202752 [0,2,0,0,0,0|2,0,0]=4 12163 B13R1.371 COc1ncc(cn1)OCCCF 34a_100000099601_100011934791 [0,2,0,0,0,0|2,0,0]=4 12164 B13R1.371 COc1ncc(cn1)OCCCF 7a_100000099601_100011934791 [0,2,0,0,0,0|2,0,0]=4 12165 B13R1.371 COc1ncc(cn1)OCCCO 34a_100000099601_100000230001 [0,2,0,0,0,0|2,0,0]=4 12166 B13R1.371 COc1ncc(cn1)OCCCO 7a_100000099601_100011215043 [0,2,0,0,0,0|2,0,0]=4 12167 B13R1.371 COc1ncc(cn1)OCCSC 34a_100000099601_100000212216 [0,2,0,0,0,0|2,0,0]=4 12168 B13R1.371 COc1ncc(cn1)OCCSC 7a_100000099601_100000212216 [0,2,0,0,0,0|2,0,0]=4 12169 B13R1.371 COc1ncc(cn1)SCCCF 62a_100000686852_100011934791 [0,2,0,0,0,0|2,0,0]=4 12170 B13R1.371 COc1ncc(cn1)SCCCF 62a_100011934791_100000686852 [0,2,0,0,0,0|2,0,0]=4 12171 B13R1.371 COc1ncc(cn1)SCCCO 62a_100000686852_100011215043 [0,2,0,0,0,0|2,0,0]=4 12172 B13R1.371 COc1ncc(cn1)SCCCO 62a_100011215043_100000686852 [0,2,0,0,0,0|2,0,0]=4 12173 B13R1.371 COc1ncc(cn1)SCCSC 62a_100000212216_100000686852 [0,2,0,0,0,0|2,0,0]=4 12174 B13R1.371 COc1ncc(cn1)SCCSC 62a_100000686852_100000751147 [0,2,0,0,0,0|2,0,0]=4 12175 B13R1.371 CSCCNc1ccc(cc1)C#N 34a_100000185469_100000212216 [0,2,0,0,0,0|2,0,0]=4 12176 B13R1.371 CSCCNc1ccc(cc1)CO 2230a_100011215238_100000751147 [0,2,0,0,0,0|2,0,0]=4 12177 B13R1.371 CSCCNc1ccc(cc1)CO 34a_100011215238_100000212216 [0,2,0,0,0,0|2,0,0]=4 12178 B13R1.371 CSCCNc1ccc(cc1)SC 34a_100000212337_100000212216 [0,2,0,0,0,0|0,1,0]=3 12179 B13R1.371 CSCCNc1ccc(cn1)SC 27a_100020590264_100009820866 [0,2,0,0,0,0|1,1,0]=4 12180 B13R1.371 CSCCOc1ccc(cc1)C#N 34a_100000210344_100000212216 [0,2,0,0,0,0|2,0,0]=4 12181 B13R1.371 CSCCOc1ccc(cc1)C#N 62a_100000184558_200000210301 [0,2,0,0,0,0|2,0,0]=4 12182 B13R1.371 CSCCOc1ccc(cc1)C#N 62a_200000210301_100000184558 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.371 CSCCOc1ccc(cc1)C#N 7a_100000210344_100000212216 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.371 CSCCOc1ccc(cc1)C=O 62a_100000040479_200000210301 [0,2,0,0,0,0|2,0,0]=4 12185 B13R1.371 CSCCOc1ccc(cc1)C=O 62a_200000210301_100000040479 [0,2,0,0,0,0|2,0,0]=4 12186 B13R1.371 CSCCOc1ccc(cc1)CN 34a_100000185549_100000212216 [0,2,0,0,0,0|2,0,0]=4 12187 B13R1.371 CSCCOc1ccc(cc1)CO 34a_100000211755_100000212216 [0,2,0,0,0,0|2,0,0]=4 12188 B13R1.371 CSCCOc1ccc(cc1)SC 34a_100000211864_100000212216 [0,2,0,0,0,0|0,1,0]=3 12189 B13R1.371 CSCCSc1ccc(cc1)C#N 62a_100000212216_100000184291 [0,2,0,0,0,0|2,0,0]=4 12190 B13R1.371 CSCCSc1ccc(cc1)C=O 62a_100000188517_100000751147 [0,2,0,0,0,0|2,0,0]=4 12191 B13R1.371 CSCCSc1ccc(cc1)C=O 62a_100000212216_100000188517 [0,2,0,0,0,0|2,0,0]=4 12192 B13R1.371 CSCCSc1ccc(cc1)CF 62a_100000212216_100010268989 [0,2,0,0,0,0|2,0,0]=4 12193 B13R1.371 CSCCSc1ccc(cc1)CF 62a_100010268989_100000751147 [0,2,0,0,0,0|2,0,0]=4 12194 B13R1.371 CSCCSc1ccc(cc1)CN 62a_100000212216_100016989417 [0,2,0,0,0,0|2,0,0]=4 12195 B13R1.371 CSCCSc1ccc(cc1)CN 62a_100016989417_100000751147 [0,2,0,0,0,0|2,0,0]=4 12196 B13R1.371 CSCCSc1ccc(cc1)CO 62a_100000212216_100000690907 [0,2,0,0,0,0|2,0,0]=4 12197 B13R1.371 CSCCSc1ccc(cc1)CO 62a_100000690907_100000751147 [0,2,0,0,0,0|2,0,0]=4 12198 B13R1.371 CSCCSc1ccc(cc1)NN 62a_100000212216_100016988836 [0,2,0,0,0,0|2,0,0]=4 12199 B13R1.371 CSCCSc1ccc(cc1)NN 62a_100016988836_100000751147 [0,2,0,0,0,0|2,0,0]=4 12200 B13R1.371 CSCCSc1ccc(cc1)SC 62a_100000212216_100011263217 [0,2,0,0,0,0|0,1,0]=3 12201 B13R1.371 CSCCSc1ccc(cc1)SC 62a_100011263217_100000751147 [0,2,0,0,0,0|0,1,0]=3 12202 B13R1.371 CSCCSc1ccc(cn1)SC 62a_100000212216_100009820866 [0,2,0,0,0,0|1,1,0]=4 12203 B13R1.371 CSCCSc1ccc(cn1)SC 62a_100009820866_100000751147 [0,2,0,0,0,0|1,1,0]=4 12204 B13R1.371 CSCCSc1ccc(nc1)SC 62a_100000212216_100011408404 [0,2,0,0,0,0|1,1,0]=4 12205 B13R1.371 CSCCSc1ccc(nc1)SC 62a_100011408404_100000751147 [0,2,0,0,0,0|1,1,0]=4 12206 B13R1.371 CSCNCc1ccc(cc1)C#N 34a_100015207190_100011218213 [0,2,0,0,0,0|2,0,0]=4 12207 B13R1.371 CSCNCc1ccc(cc1)CO 2230a_100015189231_100011218213 [0,2,0,0,0,0|2,0,0]=4 12208 B13R1.371 CSCNCc1ccc(cc1)CO 34a_100015189231_100011218213 [0,2,0,0,0,0|2,0,0]=4 12209 B13R1.371 CSCNCc1ccc(cc1)SC 2230a_100000174980_100011218213 [0,2,0,0,0,0|0,1,0]=3 12210 B13R1.371 CSCNCc1ccc(cc1)SC 34a_100000174980_100011218213 [0,2,0,0,0,0|0,1,0]=3 12211 B13R1.371 CSCOCc1ccc(cc1)C#N 34a_100000238739_100011218213 [0,2,0,0,0,0|2,0,0]=4 12212 B13R1.371 CSCOCc1ccc(cc1)CBr 34a_100012353999_100011218213 [0,2,0,0,0,0|2,0,0]=4 12213 B13R1.371 CSCOCc1ccc(cc1)CCl 34a_100000067286_100011218213 [0,2,0,0,0,0|2,0,0]=4 12214 B13R1.371 CSCOCc1ccc(cc1)CN 34a_100015189231_100011218213 [0,2,0,0,0,0|2,0,0]=4 12215 B13R1.371 CSCOCc1ccc(cc1)SC 34a_100011215404_100011218213 [0,2,0,0,0,0|0,1,0]=3 12216 B13R1.371 CSCSCc1ccc(cc1)C#N 62a_100011218213_100000184898 [0,2,0,0,0,0|2,0,0]=4 12217 B13R1.371 CSCSCc1ccc(cc1)C=O 62a_100009816848_100011218213 [0,2,0,0,0,0|2,0,0]=4 12218 B13R1.371 CSCSCc1ccc(cc1)C=O 62a_100011218213_100009816848 [0,2,0,0,0,0|2,0,0]=4 12219 B13R1.371 CSCSCc1ccc(cc1)CO 62a_100000067286_100011218213 [0,2,0,0,0,0|2,0,0]=4 12220 B13R1.371 CSCSCc1ccc(cc1)CO 62a_100011218213_100000067286 [0,2,0,0,0,0|2,0,0]=4 12221 B13R1.371 CSCSCc1ccc(cc1)SC 62a_100000181263_100011218213 [0,2,0,0,0,0|0,1,0]=3 12222 B13R1.371 CSCSCc1ccc(cc1)SC 62a_100011218213_100000181263 [0,2,0,0,0,0|0,1,0]=3 12223 B13R1.371 CSc1ccc(cc1)CCNC=O 62a_200000210301_200012351260 [0,2,0,0,0,0|0,1,1]=4 12224 B13R1.371 CSc1ccc(cc1)CCNC=O 62a_200012351260_200000210301 [0,2,0,0,0,0|0,1,1]=4 12225 B13R1.371 CSc1ccc(cc1)CNCC#N 2230a_100000174980_100011215382 [0,2,0,0,0,0|0,1,1]=4 12226 B13R1.371 CSc1ccc(cc1)CNCC=O 2230a_100000174980_200015260668 [0,2,0,0,0,0|0,1,1]=4 12227 B13R1.371 CSc1ccc(cc1)CNCC=O 34a_100000174980_200009817547 [0,2,0,0,0,0|0,1,1]=4 12228 B13R1.371 CSc1ccc(cc1)CNCCF 2230a_100000174980_100011217306 [0,2,0,0,0,0|0,1,0]=3 12229 B13R1.371 CSc1ccc(cc1)CNCCF 34a_100000174980_100011217306 [0,2,0,0,0,0|0,1,0]=3 12230 B13R1.371 CSc1ccc(cc1)CNCCF 34a_100000724931_100000181263 [0,2,0,0,0,0|0,1,0]=3 12231 B13R1.371 CSc1ccc(cc1)CNCCO 207a_100000210304_100000211154 [0,2,0,0,0,0|0,1,0]=3 12232 B13R1.371 CSc1ccc(cc1)CNCCO 2230a_100000174980_100000211926 [0,2,0,0,0,0|0,1,0]=3 12233 B13R1.371 CSc1ccc(cc1)CNCCO 2230a_100016997473_100000181263 [0,2,0,0,0,0|0,1,0]=3 12234 B13R1.371 CSc1ccc(cc1)CNCCO 270004a_100000210304_100000211154 [0,2,0,0,0,0|0,1,0]=3 12235 B13R1.371 CSc1ccc(cc1)CNCCO 34a_100000174980_100000211926 [0,2,0,0,0,0|0,1,0]=3 12236 B13R1.371 CSc1ccc(cc1)CNCCO 34a_100016990907_100000181263 [0,2,0,0,0,0|0,1,0]=3 12237 B13R1.371 CSc1ccc(cc1)CNCCO 62a_100000186819_200000210301 [0,2,0,0,0,0|0,1,0]=3 12238 B13R1.371 CSc1ccc(cc1)CNCCO 62a_200000210301_100000186819 [0,2,0,0,0,0|0,1,0]=3 12239 B13R1.371 CSc1ccc(cc1)COCC#N 7a_100011215404_100011215382 [0,2,0,0,0,0|0,1,1]=4 12240 B13R1.371 CSc1ccc(cc1)COCC=O 34a_100011215404_200009817547 [0,2,0,0,0,0|0,1,1]=4 12241 B13R1.371 CSc1ccc(cc1)COCC=O 7a_100011215404_200015260668 [0,2,0,0,0,0|0,1,1]=4 12242 B13R1.371 CSc1ccc(cc1)COCCBr 34a_100000211926_100000181263 [0,2,0,0,0,0|0,1,0]=3 12243 B13R1.371 CSc1ccc(cc1)COCCF 34a_100011215404_100011217306 [0,2,0,0,0,0|0,1,0]=3 12244 B13R1.371 CSc1ccc(cc1)COCCF 7a_100011215404_100011217306 [0,2,0,0,0,0|0,1,0]=3 12245 B13R1.371 CSc1ccc(cc1)COCCN 34a_100000210304_100000181263 [0,2,0,0,0,0|0,1,0]=3 12246 B13R1.371 CSc1ccc(cc1)COCCO 34a_100011215404_100000211926 [0,2,0,0,0,0|0,1,0]=3 12247 B13R1.371 CSc1ccc(cc1)COCCO 7a_100011215404_100000211926 [0,2,0,0,0,0|0,1,0]=3 12248 B13R1.371 CSc1ccc(cc1)CSCC#N 62a_100000181263_100011215382 [0,2,0,0,0,0|0,1,1]=4 12249 B13R1.371 CSc1ccc(cc1)CSCC#N 62a_100011215382_100000181263 [0,2,0,0,0,0|0,1,1]=4 12250 B13R1.371 CSc1ccc(cc1)CSCC=O 62a_100000181263_200015260668 [0,2,0,0,0,0|0,1,1]=4 12251 B13R1.371 CSc1ccc(cc1)CSCC=O 62a_200015260668_100000181263 [0,2,0,0,0,0|0,1,1]=4 12252 B13R1.371 CSc1ccc(cc1)CSCCF 62a_100000181263_100011217306 [0,2,0,0,0,0|0,1,0]=3 12253 B13R1.371 CSc1ccc(cc1)CSCCF 62a_100011217306_100000181263 [0,2,0,0,0,0|0,1,0]=3 12254 B13R1.371 CSc1ccc(cc1)CSCCO 62a_100000181263_100000211926 [0,2,0,0,0,0|0,1,0]=3 12255 B13R1.371 CSc1ccc(cc1)CSCCO 62a_100000211926_100000181263 [0,2,0,0,0,0|0,1,0]=3 12256 B13R1.371 CSc1ccc(cc1)NCCCF 34a_100000212337_100011934791 [0,2,0,0,0,0|0,1,0]=3 12257 B13R1.371 CSc1ccc(cc1)NCCCO 34a_100000212337_100000230001 [0,2,0,0,0,0|0,1,0]=3 12258 B13R1.371 CSc1ccc(cc1)OCCC#N 62a_100000172056_200000210301 [0,2,0,0,0,0|0,1,1]=4 12259 B13R1.371 CSc1ccc(cc1)OCCC#N 62a_200000210301_100000172056 [0,2,0,0,0,0|0,1,1]=4 12260 B13R1.371 CSc1ccc(cc1)OCCCF 34a_100000211864_100011934791 [0,2,0,0,0,0|0,1,0]=3 12261 B13R1.371 CSc1ccc(cc1)OCCCO 34a_100000211864_100000230001 [0,2,0,0,0,0|0,1,0]=3 12262 B13R1.371 CSc1ccc(cc1)OCCCO 62a_100000756186_200000210301 [0,2,0,0,0,0|0,1,0]=3 12263 B13R1.371 CSc1ccc(cc1)OCCCO 62a_200000210301_100000756186 [0,2,0,0,0,0|0,1,0]=3 12264 B13R1.371 CSc1ccc(cc1)OCCN[13CH3] 2230a_100011893652_200025704644 [0,2,0,0,0,0|0,1,0]=3 12265 B13R1.371 CSc1ccc(cc1)OCCN[13CH3] 34a_100011893652_200025704644 [0,2,0,0,0,0|0,1,0]=3 12266 B13R1.371 CSc1ccc(cc1)SCCC#N 62a_100011215226_100011263217 [0,2,0,0,0,0|0,1,1]=4 12267 B13R1.371 CSc1ccc(cc1)SCCC#N 62a_100011263217_100011215226 [0,2,0,0,0,0|0,1,1]=4 12268 B13R1.371 CSc1ccc(cc1)SCCCF 62a_100011263217_100011934791 [0,2,0,0,0,0|0,1,0]=3 12269 B13R1.371 CSc1ccc(cc1)SCCCF 62a_100011934791_100011263217 [0,2,0,0,0,0|0,1,0]=3 12270 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011215043_100011263217 [0,2,0,0,0,0|0,1,0]=3 12271 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011263217_100011215043 [0,2,0,0,0,0|0,1,0]=3 12272 B13R1.371 CSc1ccc(cn1)SCCCF 62a_100011408404_100011934791 [0,2,0,0,0,0|1,1,0]=4 12273 B13R1.371 CSc1ccc(cn1)SCCCF 62a_100011934791_100011408404 [0,2,0,0,0,0|1,1,0]=4 12274 B13R1.371 CSc1ccc(cn1)SCCCO 62a_100011215043_100011408404 [0,2,0,0,0,0|1,1,0]=4 12275 B13R1.371 CSc1ccc(cn1)SCCCO 62a_100011408404_100011215043 [0,2,0,0,0,0|1,1,0]=4 12276 B13R1.371 CSc1ccc(nc1)NCCCF 27a_100015189416_100009820866 [0,2,0,0,0,0|1,1,0]=4 12277 B13R1.371 CSc1ccc(nc1)NCCCO 27a_100000182051_100009820866 [0,2,0,0,0,0|1,1,0]=4 12278 B13R1.371 CSc1ccc(nc1)SCCCF 62a_100009820866_100011934791 [0,2,0,0,0,0|1,1,0]=4 12279 B13R1.371 CSc1ccc(nc1)SCCCF 62a_100011934791_100009820866 [0,2,0,0,0,0|1,1,0]=4 12280 B13R1.371 CSc1ccc(nc1)SCCCO 62a_100009820866_100011215043 [0,2,0,0,0,0|1,1,0]=4 12281 B13R1.371 CSc1ccc(nc1)SCCCO 62a_100011215043_100009820866 [0,2,0,0,0,0|1,1,0]=4 12282 B13R1.371 FCCCSc1ccc(cc1)CF 62a_100010268989_100011934791 [0,2,0,0,0,0|2,0,0]=4 12283 B13R1.371 FCCCSc1ccc(cc1)CF 62a_100011934791_100010268989 [0,2,0,0,0,0|2,0,0]=4 12284 B13R1.371 FCCOCc1ccc(cc1)CBr 34a_100012353999_100011217306 [0,2,0,0,0,0|2,0,0]=4 12285 B13R1.371 FCCOCc1ccc(cc1)CBr 7a_100012353999_100011217306 [0,2,0,0,0,0|2,0,0]=4 12286 B13R1.371 FCCOCc1ccc(cc1)CCl 34a_100000067286_100011217306 [0,2,0,0,0,0|2,0,0]=4 12287 B13R1.371 FCCOCc1ccc(cc1)CCl 7a_100000067286_100011217306 [0,2,0,0,0,0|2,0,0]=4 12288 B13R1.371 N#Cc1ccc(cc1)CCNCF 34a_100015189369_100015361967 [0,2,0,0,0,0|2,0,0]=4 12289 B13R1.371 N#Cc1ccc(cc1)CCOCF 34a_100011219507_100015361967 [0,2,0,0,0,0|2,0,0]=4 12290 B13R1.371 N#Cc1ccc(cc1)CCOCF 7a_100011219507_100015361967 [0,2,0,0,0,0|2,0,0]=4 12291 B13R1.371 N#Cc1ccc(cc1)CCSCF 62a_100015361967_100012161189 [0,2,0,0,0,0|2,0,0]=4 12292 B13R1.371 N#Cc1ccc(cc1)CNCCF 34a_100000724931_100000184898 [0,2,0,0,0,0|2,0,0]=4 12293 B13R1.371 N#Cc1ccc(cc1)CNCCF 34a_100015207190_100011217306 [0,2,0,0,0,0|2,0,0]=4 12294 B13R1.371 N#Cc1ccc(cc1)CNCCO 207a_100000210304_100000211122 [0,2,0,0,0,0|2,0,0]=4 12295 B13R1.371 N#Cc1ccc(cc1)CNCCO 2230a_100016997473_100000184898 [0,2,0,0,0,0|2,0,0]=4 12296 B13R1.371 N#Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211122 [0,2,0,0,0,0|2,0,0]=4 12297 B13R1.371 N#Cc1ccc(cc1)CNCCO 34a_100015207190_100000211926 [0,2,0,0,0,0|2,0,0]=4 12298 B13R1.371 N#Cc1ccc(cc1)CNCCO 34a_100016990907_100000184898 [0,2,0,0,0,0|2,0,0]=4 12299 B13R1.371 N#Cc1ccc(cc1)COCCBr 34a_100000211926_100000184898 [0,2,0,0,0,0|2,0,0]=4 12300 B13R1.371 N#Cc1ccc(cc1)COCCF 34a_100000238739_100011217306 [0,2,0,0,0,0|2,0,0]=4 12301 B13R1.371 N#Cc1ccc(cc1)COCCF 7a_100000238739_100011217306 [0,2,0,0,0,0|2,0,0]=4 12302 B13R1.371 N#Cc1ccc(cc1)COCCN 34a_100000210304_100000184898 [0,2,0,0,0,0|2,0,0]=4 12303 B13R1.371 N#Cc1ccc(cc1)COCCO 34a_100000238739_100000211926 [0,2,0,0,0,0|2,0,0]=4 12304 B13R1.371 N#Cc1ccc(cc1)COCCO 7a_100000238739_100000211926 [0,2,0,0,0,0|2,0,0]=4 12305 B13R1.371 N#Cc1ccc(cc1)CSCCF 62a_100011217306_100000184898 [0,2,0,0,0,0|2,0,0]=4 12306 B13R1.371 N#Cc1ccc(cc1)CSCCO 62a_100000211926_100000184898 [0,2,0,0,0,0|2,0,0]=4 12307 B13R1.371 N#Cc1ccc(cc1)NCCCF 34a_100000185469_100011934791 [0,2,0,0,0,0|2,0,0]=4 12308 B13R1.371 N#Cc1ccc(cc1)NCCCO 34a_100000185469_100000230001 [0,2,0,0,0,0|2,0,0]=4 12309 B13R1.371 N#Cc1ccc(cc1)OCCCF 34a_100000210344_100011934791 [0,2,0,0,0,0|2,0,0]=4 12310 B13R1.371 N#Cc1ccc(cc1)OCCCF 7a_100000210344_100011934791 [0,2,0,0,0,0|2,0,0]=4 12311 B13R1.371 N#Cc1ccc(cc1)OCCCO 34a_100000210344_100000230001 [0,2,0,0,0,0|2,0,0]=4 12312 B13R1.371 N#Cc1ccc(cc1)OCCCO 7a_100000210344_100011215043 [0,2,0,0,0,0|2,0,0]=4 12313 B13R1.371 N#Cc1ccc(cc1)SCCCF 62a_100011934791_100000184291 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.371 N#Cc1ccc(cc1)SCCCO 62a_100011215043_100000184291 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.371 NCCOCc1ccc(cc1)C=O 34a_100000210304_100009816848 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.371 NCCOCc1ccc(cc1)CO 34a_100000210304_100000067286 [0,2,0,0,0,0|2,0,0]=4 12317 B13R1.371 NCc1ccc(cc1)COCCF 34a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.371 NCc1ccc(cc1)COCCO 34a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.371 NCc1ccc(cc1)OCCCF 34a_100000185549_100011934791 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.371 NCc1ccc(cc1)OCCCO 34a_100000185549_100000230001 [0,2,0,0,0,0|2,0,0]=4 12321 B13R1.371 NCc1ccc(cc1)SCCCF 62a_100011934791_100016989417 [0,2,0,0,0,0|2,0,0]=4 12322 B13R1.371 NCc1ccc(cc1)SCCCF 62a_100016989417_100011934791 [0,2,0,0,0,0|2,0,0]=4 12323 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100011215043_100016989417 [0,2,0,0,0,0|2,0,0]=4 12324 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100016989417_100011215043 [0,2,0,0,0,0|2,0,0]=4 12325 B13R1.371 NNc1ccc(cc1)SCCCF 62a_100011934791_100016988836 [0,2,0,0,0,0|2,0,0]=4 12326 B13R1.371 NNc1ccc(cc1)SCCCF 62a_100016988836_100011934791 [0,2,0,0,0,0|2,0,0]=4 12327 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100011215043_100016988836 [0,2,0,0,0,0|2,0,0]=4 12328 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100016988836_100011215043 [0,2,0,0,0,0|2,0,0]=4 12329 B13R1.371 O=Cc1ccc(cc1)CNCCF 34a_100000724931_100009816848 [0,2,0,0,0,0|2,0,0]=4 12330 B13R1.371 O=Cc1ccc(cc1)CNCCO 2230a_100016997473_100009816848 [0,2,0,0,0,0|2,0,0]=4 12331 B13R1.371 O=Cc1ccc(cc1)CNCCO 34a_100016990907_100009816848 [0,2,0,0,0,0|2,0,0]=4 12332 B13R1.371 O=Cc1ccc(cc1)COCCBr 34a_100000211926_100009816848 [0,2,0,0,0,0|2,0,0]=4 12333 B13R1.371 O=Cc1ccc(cc1)CSCCF 62a_100009816848_100011217306 [0,2,0,0,0,0|2,0,0]=4 12334 B13R1.371 O=Cc1ccc(cc1)CSCCF 62a_100011217306_100009816848 [0,2,0,0,0,0|2,0,0]=4 12335 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100000211926_100009816848 [0,2,0,0,0,0|2,0,0]=4 12336 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100009816848_100000211926 [0,2,0,0,0,0|2,0,0]=4 12337 B13R1.371 O=Cc1ccc(cc1)SCCCF 62a_100000188517_100011934791 [0,2,0,0,0,0|2,0,0]=4 12338 B13R1.371 O=Cc1ccc(cc1)SCCCF 62a_100011934791_100000188517 [0,2,0,0,0,0|2,0,0]=4 12339 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100000188517_100011215043 [0,2,0,0,0,0|2,0,0]=4 12340 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100011215043_100000188517 [0,2,0,0,0,0|2,0,0]=4 12341 B13R1.371 OCCCNc1ccc(cc1)CO 2230a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 12342 B13R1.371 OCCCNc1ccc(cc1)CO 34a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.371 OCCCOc1ccc(cc1)CO 34a_100000211755_100000230001 [0,2,0,0,0,0|2,0,0]=4 12344 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100010268989_100011215043 [0,2,0,0,0,0|2,0,0]=4 12345 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100011215043_100010268989 [0,2,0,0,0,0|2,0,0]=4 12346 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100000690907_100011215043 [0,2,0,0,0,0|2,0,0]=4 12347 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100011215043_100000690907 [0,2,0,0,0,0|2,0,0]=4 12348 B13R1.371 OCCNCc1ccc(cc1)CO 207a_100000210304_100009832023 [0,2,0,0,0,0|2,0,0]=4 12349 B13R1.371 OCCNCc1ccc(cc1)CO 2230a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 12350 B13R1.371 OCCNCc1ccc(cc1)CO 2230a_100016997473_100000067286 [0,2,0,0,0,0|2,0,0]=4 12351 B13R1.371 OCCNCc1ccc(cc1)CO 270004a_100000210304_100009832023 [0,2,0,0,0,0|2,0,0]=4 12352 B13R1.371 OCCNCc1ccc(cc1)CO 34a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 12353 B13R1.371 OCCNCc1ccc(cc1)CO 34a_100016990907_100000067286 [0,2,0,0,0,0|2,0,0]=4 12354 B13R1.371 OCCOCc1ccc(cc1)CBr 34a_100012353999_100000211926 [0,2,0,0,0,0|2,0,0]=4 12355 B13R1.371 OCCOCc1ccc(cc1)CBr 7a_100012353999_100000211926 [0,2,0,0,0,0|2,0,0]=4 12356 B13R1.371 OCCOCc1ccc(cc1)CCl 34a_100000067286_100000211926 [0,2,0,0,0,0|2,0,0]=4 12357 B13R1.371 OCCOCc1ccc(cc1)CCl 7a_100000067286_100000211926 [0,2,0,0,0,0|2,0,0]=4 12358 B13R1.371 OCCSCc1ccc(cc1)CO 62a_100000067286_100000211926 [0,2,0,0,0,0|2,0,0]=4 12359 B13R1.371 OCCSCc1ccc(cc1)CO 62a_100000211926_100000067286 [0,2,0,0,0,0|2,0,0]=4 12360 B13R1.371 OCc1ccc(cc1)CNCCF 2230a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 12361 B13R1.371 OCc1ccc(cc1)CNCCF 34a_100000724931_100000067286 [0,2,0,0,0,0|2,0,0]=4 12362 B13R1.371 OCc1ccc(cc1)CNCCF 34a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 12363 B13R1.371 OCc1ccc(cc1)COCCBr 34a_100000211926_100000067286 [0,2,0,0,0,0|2,0,0]=4 12364 B13R1.371 OCc1ccc(cc1)CSCCF 62a_100000067286_100011217306 [0,2,0,0,0,0|2,0,0]=4 12365 B13R1.371 OCc1ccc(cc1)CSCCF 62a_100011217306_100000067286 [0,2,0,0,0,0|2,0,0]=4 12366 B13R1.371 OCc1ccc(cc1)NCCCF 2230a_100011215238_100011934791 [0,2,0,0,0,0|2,0,0]=4 12367 B13R1.371 OCc1ccc(cc1)NCCCF 34a_100011215238_100011934791 [0,2,0,0,0,0|2,0,0]=4 12368 B13R1.371 OCc1ccc(cc1)OCCCF 34a_100000211755_100011934791 [0,2,0,0,0,0|2,0,0]=4 12369 B13R1.371 OCc1ccc(cc1)SCCCF 62a_100000690907_100011934791 [0,2,0,0,0,0|2,0,0]=4 12370 B13R1.371 OCc1ccc(cc1)SCCCF 62a_100011934791_100000690907 [0,2,0,0,0,0|2,0,0]=4 12371 B13R1.371 [13CH3]NCCOc1ccc(cc1)C#N 34a_100000759831_200025704644 [0,2,0,0,0,0|2,0,0]=4 12372 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 2230a_100000730458_200025704644 [0,2,0,0,0,0|1,0,0]=3 12373 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 34a_100000730458_200025704644 [0,2,0,0,0,0|1,0,0]=3 12374 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 34a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 12375 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 7a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 12376 B13R1.371 [13CH3]OCCNc1ccc(cc1)CN 34a_102495363707_200025704644 [0,2,0,0,0,0|2,0,0]=4 12377 B13R1.371 [13CH3]OCCOc1ccc(cc1)C#N 34a_100000230533_200025704644 [0,2,0,0,0,0|2,0,0]=4 12378 B13R1.371 [13CH3]OCCOc1ccc(cc1)C#N 7a_100000230533_200025704644 [0,2,0,0,0,0|2,0,0]=4 12379 B13R1.371 [13CH3]SCCOc1ccc(cc1)C#N 62a_100000184558_200025704644 [0,2,0,0,0,0|2,0,0]=4 12380 B13R1.371 [13CH3]SCCOc1ccc(cc1)C#N 62a_200025704644_100000184558 [0,2,0,0,0,0|2,0,0]=4 12381 B13R1.371 [13CH3]SCCOc1ccc(cc1)C=O 62a_100000040479_200025704644 [0,2,0,0,0,0|2,0,0]=4 12382 B13R1.371 [13CH3]SCCOc1ccc(cc1)C=O 62a_200025704644_100000040479 [0,2,0,0,0,0|2,0,0]=4 12383 B13R1.371 [13CH3]Sc1ccc(cc1)CCNC=O 62a_200012351260_200025704644 [0,2,0,0,0,0|0,1,1]=4 12384 B13R1.371 [13CH3]Sc1ccc(cc1)CCNC=O 62a_200025704644_200012351260 [0,2,0,0,0,0|0,1,1]=4 12385 B13R1.371 [13CH3]Sc1ccc(cc1)CNCCO 62a_100000186819_200025704644 [0,2,0,0,0,0|0,1,0]=3 12386 B13R1.371 [13CH3]Sc1ccc(cc1)CNCCO 62a_200025704644_100000186819 [0,2,0,0,0,0|0,1,0]=3 12387 B13R1.371 [13CH3]Sc1ccc(cc1)OCCC#N 62a_100000172056_200025704644 [0,2,0,0,0,0|0,1,1]=4 12388 B13R1.371 [13CH3]Sc1ccc(cc1)OCCC#N 62a_200025704644_100000172056 [0,2,0,0,0,0|0,1,1]=4 12389 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_100000756186_200025704644 [0,2,0,0,0,0|0,1,0]=3 12390 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_200025704644_100000756186 [0,2,0,0,0,0|0,1,0]=3 12391 B13R1.577 C#CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000184674 [0,2,0,0,0,0|0,0,2]=4 12392 B13R1.577 C#CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000038162 [0,2,0,0,0,0|0,0,2]=4 12393 B13R1.577 C#CCNc1ccc(c(c1)C)OC 34a_100000743268_100000184674 [0,2,0,0,0,0|0,0,2]=4 12394 B13R1.577 C#CCNc1ccc(c(c1)C)OC 7a_100000743268_100000038162 [0,2,0,0,0,0|0,0,2]=4 12395 B13R1.577 C#CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000038162 [0,2,0,0,0,0|0,0,2]=4 12396 B13R1.577 C#CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000184674 [0,2,0,0,0,0|0,0,2]=4 12397 B13R1.577 C#CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000038162 [0,2,0,0,0,0|0,0,2]=4 12398 B13R1.577 C#CCNc1ccc(c(c1)F)OC 34a_100000740183_100000184674 [0,2,0,0,0,0|0,0,2]=4 12399 B13R1.577 C#CCNc1ccc(c(c1)I)OC 34a_100011356947_100000184674 [0,2,0,0,0,0|0,0,2]=4 12400 B13R1.577 C#CCNc1ccc(c(c1)O)OC 34a_100000211920_100000184674 [0,2,0,0,0,0|0,0,2]=4 12401 B13R1.577 C#CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000184674 [0,2,0,0,0,0|0,0,2]=4 12402 B13R1.577 C#CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000038162 [0,2,0,0,0,0|0,0,2]=4 12403 B13R1.577 C#CCOc1ccc(c(c1)C)OC 34a_100000759738_100000184674 [0,2,0,0,0,0|0,0,2]=4 12404 B13R1.577 C#CCOc1ccc(c(c1)C)OC 7a_100000759738_100000038162 [0,2,0,0,0,0|0,0,2]=4 12405 B13R1.577 C#CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000184674 [0,2,0,0,0,0|0,0,2]=4 12406 B13R1.577 C#CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000038162 [0,2,0,0,0,0|0,0,2]=4 12407 B13R1.577 C#CCOc1ccc(c(c1)F)OC 34a_100000746305_100000184674 [0,2,0,0,0,0|0,0,2]=4 12408 B13R1.577 C#CCOc1ccc(c(c1)F)OC 7a_100000746305_100000038162 [0,2,0,0,0,0|0,0,2]=4 12409 B13R1.577 C#CCOc1ccc(c(c1)I)OC 34a_100010084122_100000184674 [0,2,0,0,0,0|0,0,2]=4 12410 B13R1.577 C#CCOc1ccc(c(c1)I)OC 7a_100010084122_100000038162 [0,2,0,0,0,0|0,0,2]=4 12411 B13R1.577 C#CCSc1ccc(c(c1)Br)OC 62a_100000038162_100011249507 [0,2,0,0,0,0|0,0,2]=4 12412 B13R1.577 C#CCSc1ccc(c(c1)C)OC 62a_100000038162_100011219705 [0,2,0,0,0,0|0,0,2]=4 12413 B13R1.577 C#CCSc1ccc(c(c1)Cl)OC 62a_100000038162_100012355395 [0,2,0,0,0,0|0,0,2]=4 12414 B13R1.577 C#CCSc1ccc(c(c1)F)OC 62a_100000038162_100000171752 [0,2,0,0,0,0|0,0,2]=4 12415 B13R1.577 C#CCSc1ccc(c(c1)N)OC 62a_100000038162_100011249504 [0,2,0,0,0,0|0,0,2]=4 12416 B13R1.577 C#CCSc1ccc(c(c1)O)OC 62a_100000038162_100009816560 [0,2,0,0,0,0|0,0,2]=4 12417 B13R1.577 C#Cc1ccc(cc1Cl)NCCC 2230a_100012001888_100000210303 [0,2,0,0,0,0|1,0,1]=4 12418 B13R1.577 C#Cc1ccc(cc1Cl)NCCC 34a_100012001888_100000210303 [0,2,0,0,0,0|1,0,1]=4 12419 B13R1.577 C#Cc1ccc(cc1F)NCCC 2230a_100012001886_100000210303 [0,2,0,0,0,0|1,0,1]=4 12420 B13R1.577 C#Cc1ccc(cc1F)NCCC 34a_100012001886_100000210303 [0,2,0,0,0,0|1,0,1]=4 12421 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [0,2,0,0,0,0|0,0,2]=4 12422 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [0,2,0,0,0,0|0,0,2]=4 12423 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [0,2,0,0,0,0|0,0,2]=4 12424 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [0,2,0,0,0,0|0,0,2]=4 12425 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [0,2,0,0,0,0|0,0,2]=4 12426 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [0,2,0,0,0,0|0,0,2]=4 12427 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [0,2,0,0,0,0|0,0,2]=4 12428 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [0,2,0,0,0,0|0,0,2]=4 12429 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [0,2,0,0,0,0|0,0,2]=4 12430 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [0,2,0,0,0,0|0,0,2]=4 12431 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [0,2,0,0,0,0|0,0,2]=4 12432 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [0,2,0,0,0,0|0,0,2]=4 12433 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [0,2,0,0,0,0|0,0,2]=4 12434 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [0,2,0,0,0,0|0,0,2]=4 12435 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [0,2,0,0,0,0|0,0,2]=4 12436 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [0,2,0,0,0,0|0,0,2]=4 12437 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [0,2,0,0,0,0|0,0,2]=4 12438 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [0,2,0,0,0,0|0,0,2]=4 12439 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [0,2,0,0,0,0|0,0,2]=4 12440 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [0,2,0,0,0,0|0,0,2]=4 12441 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [0,2,0,0,0,0|0,0,2]=4 12442 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [0,2,0,0,0,0|0,0,2]=4 12443 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [0,2,0,0,0,0|0,0,2]=4 12444 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [0,2,0,0,0,0|0,0,2]=4 12445 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [0,2,0,0,0,0|0,0,2]=4 12446 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [0,2,0,0,0,0|0,0,2]=4 12447 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [0,2,0,0,0,0|0,0,2]=4 12448 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [0,2,0,0,0,0|0,0,2]=4 12449 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [0,2,0,0,0,0|0,0,2]=4 12450 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [0,2,0,0,0,0|0,0,2]=4 12451 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [0,2,0,0,0,0|0,0,2]=4 12452 B13R1.577 C=Cc1ccc(cc1C)OCCC 271570a_100011290941_200012361509 [0,2,0,0,0,0|1,0,1]=4 12453 B13R1.577 C=Cc1ccc(cc1F)OCCC 271570a_100011290941_200012236930 [0,2,0,0,0,0|1,0,1]=4 12454 B13R1.577 C=Cc1ccc(cc1F)SCCC 62a_100000210303_100011935271 [0,2,0,0,0,0|1,0,1]=4 12455 B13R1.577 C=Cc1ccc(cc1F)SCCC 62a_100011935271_100000210303 [0,2,0,0,0,0|1,0,1]=4 12456 B13R1.577 CC=NNc1ccc(c(c1)Cl)OC 4a_100000699481_200000210099 [0,2,0,0,0,0|1,0,1]=4 12457 B13R1.577 CCCCc1cc(c(cn1)NC)N 271570a_100020621405_200015721873 [0,2,0,0,0,0|2,0,0]=4 12458 B13R1.577 CCCCc1cc(c(cn1)OC)N 271570a_100020621405_100010896307 [0,2,0,0,0,0|1,0,0]=3 12459 B13R1.577 CCCCc1cc(c(cn1)OC)O 271570a_100020621405_100010264082 [0,2,0,0,0,0|1,0,0]=3 12460 B13R1.577 CCCCc1cc(c(nn1)OC)C 271570a_100020621405_100010272851 [0,2,0,0,0,0|2,0,0]=4 12461 B13R1.577 CCCCc1ccc(c(c1)Br)C#N 271570a_100020621405_100012349582 [0,2,0,0,0,0|2,0,0]=4 12462 B13R1.577 CCCCc1ccc(c(c1)Br)C=O 271570a_100020621405_100010185650 [0,2,0,0,0,0|2,0,0]=4 12463 B13R1.577 CCCCc1ccc(c(c1)Br)CO 271570a_100020621405_100010240206 [0,2,0,0,0,0|2,0,0]=4 12464 B13R1.577 CCCCc1ccc(c(c1)Br)OC 271570a_100020621405_100011249507 [0,2,0,0,0,0|0,0,0]=2 12465 B13R1.577 CCCCc1ccc(c(c1)C)C#N 271570a_100020621405_100000687762 [0,2,0,0,0,0|2,0,0]=4 12466 B13R1.577 CCCCc1ccc(c(c1)C)C=O 271570a_100020621405_100000687586 [0,2,0,0,0,0|2,0,0]=4 12467 B13R1.577 CCCCc1ccc(c(c1)C)CF 271570a_100020621405_200010711859 [0,2,0,0,0,0|2,0,0]=4 12468 B13R1.577 CCCCc1ccc(c(c1)C)CN 271570a_100020621405_100000753881 [0,2,0,0,0,0|2,0,0]=4 12469 B13R1.577 CCCCc1ccc(c(c1)C)CO 271570a_100020621405_100000748258 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.577 CCCCc1ccc(c(c1)C)NC 2230a_200011219056_200000210301 [0,2,0,0,0,0|1,0,0]=3 12471 B13R1.577 CCCCc1ccc(c(c1)C)NC 271570a_100020621405_100000221803 [0,2,0,0,0,0|1,0,0]=3 12472 B13R1.577 CCCCc1ccc(c(c1)C)NC 34a_200011219056_200000210301 [0,2,0,0,0,0|1,0,0]=3 12473 B13R1.577 CCCCc1ccc(c(c1)C)NC 7a_200011219056_200000210301 [0,2,0,0,0,0|1,0,0]=3 12474 B13R1.577 CCCCc1ccc(c(c1)C)NN 271570a_100020621405_100000751375 [0,2,0,0,0,0|2,0,0]=4 12475 B13R1.577 CCCCc1ccc(c(c1)C)N[13CH3] 2230a_200011219056_200025704644 [0,2,0,0,0,0|1,0,0]=3 12476 B13R1.577 CCCCc1ccc(c(c1)C)N[13CH3] 34a_200011219056_200025704644 [0,2,0,0,0,0|1,0,0]=3 12477 B13R1.577 CCCCc1ccc(c(c1)C)N[13CH3] 7a_200011219056_200025704644 [0,2,0,0,0,0|1,0,0]=3 12478 B13R1.577 CCCCc1ccc(c(c1)C)OC 271570a_100020621405_100011219705 [0,2,0,0,0,0|0,0,0]=2 12479 B13R1.577 CCCCc1ccc(c(c1)Cl)C#N 271570a_100020621405_100012349662 [0,2,0,0,0,0|2,0,0]=4 12480 B13R1.577 CCCCc1ccc(c(c1)Cl)C=O 271570a_100020621405_100000727542 [0,2,0,0,0,0|2,0,0]=4 12481 B13R1.577 CCCCc1ccc(c(c1)Cl)OC 271570a_100020621405_100012355395 [0,2,0,0,0,0|0,0,0]=2 12482 B13R1.577 CCCCc1ccc(c(c1)Cl)SC 271570a_100020621405_206447510565 [0,2,0,0,0,0|0,1,0]=3 12483 B13R1.577 CCCCc1ccc(c(c1)F)C#N 271570a_100020621405_100000037869 [0,2,0,0,0,0|2,0,0]=4 12484 B13R1.577 CCCCc1ccc(c(c1)F)C=O 271570a_100020621405_100000211676 [0,2,0,0,0,0|2,0,0]=4 12485 B13R1.577 CCCCc1ccc(c(c1)F)CC 271570a_100020621405_200010071577 [0,2,0,0,0,0|1,0,0]=3 12486 B13R1.577 CCCCc1ccc(c(c1)F)CN 271570a_100020621405_100000754580 [0,2,0,0,0,0|2,0,0]=4 12487 B13R1.577 CCCCc1ccc(c(c1)F)CO 271570a_100020621405_100011191541 [0,2,0,0,0,0|2,0,0]=4 12488 B13R1.577 CCCCc1ccc(c(c1)F)NC 271570a_100020621405_100000743884 [0,2,0,0,0,0|1,0,0]=3 12489 B13R1.577 CCCCc1ccc(c(c1)F)NN 271570a_100020621405_100000751572 [0,2,0,0,0,0|2,0,0]=4 12490 B13R1.577 CCCCc1ccc(c(c1)F)OC 271570a_100020621405_100000185480 [0,2,0,0,0,0|0,0,0]=2 12491 B13R1.577 CCCCc1ccc(c(c1)F)SC 271570a_100020621405_100010161220 [0,2,0,0,0,0|0,1,0]=3 12492 B13R1.577 CCCCc1ccc(c(c1)N)C#N 271570a_100020621405_100000699244 [0,2,0,0,0,0|2,0,0]=4 12493 B13R1.577 CCCCc1ccc(c(c1)N)C=O 271570a_100020621405_100009814810 [0,2,0,0,0,0|2,0,0]=4 12494 B13R1.577 CCCCc1ccc(c(c1)N)CC 271570a_100020621405_100012354963 [0,2,0,0,0,0|1,0,0]=3 12495 B13R1.577 CCCCc1ccc(c(c1)N)CO 271570a_100020621405_100000718831 [0,2,0,0,0,0|2,0,0]=4 12496 B13R1.577 CCCCc1ccc(c(c1)N)NC 271570a_100020621405_100000741790 [0,2,0,0,0,0|1,0,0]=3 12497 B13R1.577 CCCCc1ccc(c(c1)N)OC 271570a_100020621405_100000743470 [0,2,0,0,0,0|0,0,0]=2 12498 B13R1.577 CCCCc1ccc(c(c1)O)C#N 271570a_100020621405_100011934713 [0,2,0,0,0,0|2,0,0]=4 12499 B13R1.577 CCCCc1ccc(c(c1)O)C=O 271570a_100020621405_100011277552 [0,2,0,0,0,0|2,0,0]=4 12500 B13R1.577 CCCCc1ccc(c(c1)O)CO 271570a_100020621405_100000071718 [0,2,0,0,0,0|2,0,0]=4 12501 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [0,2,0,0,0,0|0,0,0]=2 12502 B13R1.577 CCCCc1ccc(c(n1)Br)OC 271570a_100020621405_100010214827 [0,2,0,0,0,0|1,0,0]=3 12503 B13R1.577 CCCCc1ccc(c(n1)C)OC 271570a_100020621405_100010244750 [0,2,0,0,0,0|1,0,0]=3 12504 B13R1.577 CCCCc1ccc(c(n1)Cl)OC 271570a_100020621405_100010233546 [0,2,0,0,0,0|1,0,0]=3 12505 B13R1.577 CCCCc1ccc(c(n1)F)OC 271570a_100020621405_100010138636 [0,2,0,0,0,0|1,0,0]=3 12506 B13R1.577 CCCCc1ccc(c(n1)N)OC 271570a_100020621405_100010192976 [0,2,0,0,0,0|1,0,0]=3 12507 B13R1.577 CCCCc1cnc(c(c1)Br)OC 271570a_100020621405_200010988584 [0,2,0,0,0,0|1,0,0]=3 12508 B13R1.577 CCCCc1cnc(c(c1)C)NC 271570a_100020621405_100012357622 [0,2,0,0,0,0|2,0,0]=4 12509 B13R1.577 CCCCc1cnc(c(c1)C)OC 271570a_100020621405_100011290809 [0,2,0,0,0,0|1,0,0]=3 12510 B13R1.577 CCCCc1cnc(c(c1)F)OC 271570a_100020621405_100011880707 [0,2,0,0,0,0|1,0,0]=3 12511 B13R1.577 CCCCc1cnc(c(c1)N)NC 271570a_100020621405_100011432983 [0,2,0,0,0,0|2,0,0]=4 12512 B13R1.577 CCCCc1cnc(c(c1)N)OC 271570a_100020621405_100000748608 [0,2,0,0,0,0|1,0,0]=3 12513 B13R1.577 CCCCc1cnc(c(c1)O)OC 271570a_100020621405_100010135713 [0,2,0,0,0,0|1,0,0]=3 12514 B13R1.577 CCCCc1ncc(c(n1)C)OC 271570a_100020621405_100010382893 [0,2,0,0,0,0|2,0,0]=4 12515 B13R1.577 CCCCc1ncc(c(n1)N)OC 271570a_100020621405_100009886850 [0,2,0,0,0,0|2,0,0]=4 12516 B13R1.577 CCCNc1ccc(c(c1)Br)C#N 34a_100000689153_100000210303 [0,2,0,0,0,0|2,0,0]=4 12517 B13R1.577 CCCNc1ccc(c(c1)Br)C#N 7a_100000689153_100000210303 [0,2,0,0,0,0|2,0,0]=4 12518 B13R1.577 CCCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210303 [0,2,0,0,0,0|0,0,0]=2 12519 B13R1.577 CCCNc1ccc(c(c1)C)C#N 34a_100011999795_100000210303 [0,2,0,0,0,0|2,0,0]=4 12520 B13R1.577 CCCNc1ccc(c(c1)C)C#N 7a_100011999795_100000210303 [0,2,0,0,0,0|2,0,0]=4 12521 B13R1.577 CCCNc1ccc(c(c1)C)CO 34a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 12522 B13R1.577 CCCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210303 [0,2,0,0,0,0|0,0,0]=2 12523 B13R1.577 CCCNc1ccc(c(c1)C)OC 34a_100000743268_100000210303 [0,2,0,0,0,0|0,0,0]=2 12524 B13R1.577 CCCNc1ccc(c(c1)C)OC 7a_100000743268_100000210303 [0,2,0,0,0,0|0,0,0]=2 12525 B13R1.577 CCCNc1ccc(c(c1)Cl)C#N 34a_100000211542_100000210303 [0,2,0,0,0,0|2,0,0]=4 12526 B13R1.577 CCCNc1ccc(c(c1)Cl)C#N 7a_100000211542_100000210303 [0,2,0,0,0,0|2,0,0]=4 12527 B13R1.577 CCCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210303 [0,2,0,0,0,0|1,0,0]=3 12528 B13R1.577 CCCNc1ccc(c(c1)Cl)CC 34a_100000766362_100000210303 [0,2,0,0,0,0|1,0,0]=3 12529 B13R1.577 CCCNc1ccc(c(c1)Cl)CC 7a_100000766362_100000210303 [0,2,0,0,0,0|1,0,0]=3 12530 B13R1.577 CCCNc1ccc(c(c1)Cl)CO 34a_100000689119_100000210303 [0,2,0,0,0,0|2,0,0]=4 12531 B13R1.577 CCCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210303 [0,2,0,0,0,0|0,0,0]=2 12532 B13R1.577 CCCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210303 [0,2,0,0,0,0|0,0,0]=2 12533 B13R1.577 CCCNc1ccc(c(c1)F)C#N 34a_100000765089_100000210303 [0,2,0,0,0,0|2,0,0]=4 12534 B13R1.577 CCCNc1ccc(c(c1)F)C#N 7a_100000765089_100000210303 [0,2,0,0,0,0|2,0,0]=4 12535 B13R1.577 CCCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210303 [0,2,0,0,0,0|0,0,0]=2 12536 B13R1.577 CCCNc1ccc(c(c1)F)OC 34a_100000740183_100000210303 [0,2,0,0,0,0|0,0,0]=2 12537 B13R1.577 CCCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210303 [0,2,0,0,0,0|0,1,0]=3 12538 B13R1.577 CCCNc1ccc(c(c1)F)SC 34a_100000762756_100000210303 [0,2,0,0,0,0|0,1,0]=3 12539 B13R1.577 CCCNc1ccc(c(c1)I)OC 34a_100011356947_100000210303 [0,2,0,0,0,0|0,0,0]=2 12540 B13R1.577 CCCNc1ccc(c(c1)O)C#N 34a_100000094571_100000210303 [0,2,0,0,0,0|2,0,0]=4 12541 B13R1.577 CCCNc1ccc(c(c1)O)C#N 7a_100000094571_100000210303 [0,2,0,0,0,0|2,0,0]=4 12542 B13R1.577 CCCNc1ccc(c(c1)O)OC 34a_100000211920_100000210303 [0,2,0,0,0,0|0,0,0]=2 12543 B13R1.577 CCCOc1ccc(c(c1)Br)C#N 34a_100012184851_100000210303 [0,2,0,0,0,0|2,0,0]=4 12544 B13R1.577 CCCOc1ccc(c(c1)Br)C#N 7a_100012184851_100000210303 [0,2,0,0,0,0|2,0,0]=4 12545 B13R1.577 CCCOc1ccc(c(c1)Br)CO 34a_100010146404_100000210303 [0,2,0,0,0,0|2,0,0]=4 12546 B13R1.577 CCCOc1ccc(c(c1)Br)CO 7a_100010146404_100000210303 [0,2,0,0,0,0|2,0,0]=4 12547 B13R1.577 CCCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210303 [0,2,0,0,0,0|0,0,0]=2 12548 B13R1.577 CCCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210303 [0,2,0,0,0,0|0,0,0]=2 12549 B13R1.577 CCCOc1ccc(c(c1)C)C#N 34a_100000720286_100000210303 [0,2,0,0,0,0|2,0,0]=4 12550 B13R1.577 CCCOc1ccc(c(c1)C)C#N 7a_100000720286_100000210303 [0,2,0,0,0,0|2,0,0]=4 12551 B13R1.577 CCCOc1ccc(c(c1)C)NC 34a_100000743293_200000210301 [0,2,0,0,0,0|1,0,0]=3 12552 B13R1.577 CCCOc1ccc(c(c1)C)NC 34a_100161107805_100000210303 [0,2,0,0,0,0|1,0,0]=3 12553 B13R1.577 CCCOc1ccc(c(c1)C)NC 7a_100000743293_200000210301 [0,2,0,0,0,0|1,0,0]=3 12554 B13R1.577 CCCOc1ccc(c(c1)C)NC 7a_100161107805_100000210303 [0,2,0,0,0,0|1,0,0]=3 12555 B13R1.577 CCCOc1ccc(c(c1)C)N[13CH3] 34a_100000743293_200025704644 [0,2,0,0,0,0|1,0,0]=3 12556 B13R1.577 CCCOc1ccc(c(c1)C)N[13CH3] 7a_100000743293_200025704644 [0,2,0,0,0,0|1,0,0]=3 12557 B13R1.577 CCCOc1ccc(c(c1)C)OC 34a_100000759738_100000210303 [0,2,0,0,0,0|0,0,0]=2 12558 B13R1.577 CCCOc1ccc(c(c1)C)OC 7a_100000759738_100000210303 [0,2,0,0,0,0|0,0,0]=2 12559 B13R1.577 CCCOc1ccc(c(c1)C)SC 34a_100000030144_100000210303 [0,2,0,0,0,0|0,1,0]=3 12560 B13R1.577 CCCOc1ccc(c(c1)C)SC 62a_200000210301_200012361509 [0,2,0,0,0,0|0,1,0]=3 12561 B13R1.577 CCCOc1ccc(c(c1)C)SC 62a_200012361509_200000210301 [0,2,0,0,0,0|0,1,0]=3 12562 B13R1.577 CCCOc1ccc(c(c1)C)S[13CH3] 62a_200012361509_200025704644 [0,2,0,0,0,0|0,1,0]=3 12563 B13R1.577 CCCOc1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012361509 [0,2,0,0,0,0|0,1,0]=3 12564 B13R1.577 CCCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100000210303 [0,2,0,0,0,0|2,0,0]=4 12565 B13R1.577 CCCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100000210303 [0,2,0,0,0,0|2,0,0]=4 12566 B13R1.577 CCCOc1ccc(c(c1)Cl)CC 34a_100009886192_100000210303 [0,2,0,0,0,0|1,0,0]=3 12567 B13R1.577 CCCOc1ccc(c(c1)Cl)CC 7a_100009886192_100000210303 [0,2,0,0,0,0|1,0,0]=3 12568 B13R1.577 CCCOc1ccc(c(c1)Cl)CN 34a_200161156549_100000210303 [0,2,0,0,0,0|2,0,0]=4 12569 B13R1.577 CCCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000210303 [0,2,0,0,0,0|2,0,0]=4 12570 B13R1.577 CCCOc1ccc(c(c1)Cl)CO 7a_200000075811_100000210303 [0,2,0,0,0,0|2,0,0]=4 12571 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210303 [0,2,0,0,0,0|0,0,0]=2 12572 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210303 [0,2,0,0,0,0|0,0,0]=2 12573 B13R1.577 CCCOc1ccc(c(c1)F)C#N 34a_100000753931_100000210303 [0,2,0,0,0,0|2,0,0]=4 12574 B13R1.577 CCCOc1ccc(c(c1)F)C#N 7a_100000753931_100000210303 [0,2,0,0,0,0|2,0,0]=4 12575 B13R1.577 CCCOc1ccc(c(c1)F)CO 34a_100000084598_100000210303 [0,2,0,0,0,0|2,0,0]=4 12576 B13R1.577 CCCOc1ccc(c(c1)F)CO 7a_100000084598_100000210303 [0,2,0,0,0,0|2,0,0]=4 12577 B13R1.577 CCCOc1ccc(c(c1)F)OC 34a_100000746305_100000210303 [0,2,0,0,0,0|0,0,0]=2 12578 B13R1.577 CCCOc1ccc(c(c1)F)OC 7a_100000746305_100000210303 [0,2,0,0,0,0|0,0,0]=2 12579 B13R1.577 CCCOc1ccc(c(c1)F)SC 62a_200000210301_200012236930 [0,2,0,0,0,0|0,1,0]=3 12580 B13R1.577 CCCOc1ccc(c(c1)F)SC 62a_200012236930_200000210301 [0,2,0,0,0,0|0,1,0]=3 12581 B13R1.577 CCCOc1ccc(c(c1)F)S[13CH3] 62a_200012236930_200025704644 [0,2,0,0,0,0|0,1,0]=3 12582 B13R1.577 CCCOc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200012236930 [0,2,0,0,0,0|0,1,0]=3 12583 B13R1.577 CCCOc1ccc(c(c1)I)OC 34a_100010084122_100000210303 [0,2,0,0,0,0|0,0,0]=2 12584 B13R1.577 CCCOc1ccc(c(c1)I)OC 7a_100010084122_100000210303 [0,2,0,0,0,0|0,0,0]=2 12585 B13R1.577 CCCOc1ccc(c(n1)C)SC 62a_200000210301_200012343549 [0,2,0,0,0,0|1,1,0]=4 12586 B13R1.577 CCCOc1ccc(c(n1)C)SC 62a_200012343549_200000210301 [0,2,0,0,0,0|1,1,0]=4 12587 B13R1.577 CCCOc1ccc(c(n1)C)S[13CH3] 62a_200012343549_200025704644 [0,2,0,0,0,0|1,1,0]=4 12588 B13R1.577 CCCOc1ccc(c(n1)C)S[13CH3] 62a_200025704644_200012343549 [0,2,0,0,0,0|1,1,0]=4 12589 B13R1.577 CCCSc1cc(c(cn1)NC)N 62a_100000210303_200015721873 [0,2,0,0,0,0|2,0,0]=4 12590 B13R1.577 CCCSc1cc(c(cn1)NC)N 62a_200015721873_100000210303 [0,2,0,0,0,0|2,0,0]=4 12591 B13R1.577 CCCSc1cc(c(cn1)OC)N 62a_100000210303_100010896307 [0,2,0,0,0,0|1,0,0]=3 12592 B13R1.577 CCCSc1cc(c(cn1)OC)N 62a_100010896307_100000210303 [0,2,0,0,0,0|1,0,0]=3 12593 B13R1.577 CCCSc1cc(c(cn1)OC)O 62a_100000210303_100010264082 [0,2,0,0,0,0|1,0,0]=3 12594 B13R1.577 CCCSc1cc(c(nn1)OC)C 62a_100000210303_100010272851 [0,2,0,0,0,0|2,0,0]=4 12595 B13R1.577 CCCSc1cc(c(nn1)OC)C 62a_100010272851_100000210303 [0,2,0,0,0,0|2,0,0]=4 12596 B13R1.577 CCCSc1cc(c(nn1)OC)N 62a_100000210303_100009869743 [0,2,0,0,0,0|2,0,0]=4 12597 B13R1.577 CCCSc1cc(c(nn1)OC)N 62a_100009869743_100000210303 [0,2,0,0,0,0|2,0,0]=4 12598 B13R1.577 CCCSc1ccc(c(c1)Br)C#N 62a_100000210303_100012349582 [0,2,0,0,0,0|2,0,0]=4 12599 B13R1.577 CCCSc1ccc(c(c1)Br)C#N 62a_100012349582_100000210303 [0,2,0,0,0,0|2,0,0]=4 12600 B13R1.577 CCCSc1ccc(c(c1)Br)C=O 62a_100000210303_100010185650 [0,2,0,0,0,0|2,0,0]=4 12601 B13R1.577 CCCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210303 [0,2,0,0,0,0|2,0,0]=4 12602 B13R1.577 CCCSc1ccc(c(c1)Br)CO 62a_100000210303_100010240206 [0,2,0,0,0,0|2,0,0]=4 12603 B13R1.577 CCCSc1ccc(c(c1)Br)CO 62a_100010240206_100000210303 [0,2,0,0,0,0|2,0,0]=4 12604 B13R1.577 CCCSc1ccc(c(c1)Br)OC 62a_100000210303_100011249507 [0,2,0,0,0,0|0,0,0]=2 12605 B13R1.577 CCCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210303 [0,2,0,0,0,0|0,0,0]=2 12606 B13R1.577 CCCSc1ccc(c(c1)C)C#N 62a_100000210303_100000687762 [0,2,0,0,0,0|2,0,0]=4 12607 B13R1.577 CCCSc1ccc(c(c1)C)C=O 62a_100000210303_100000766358 [0,2,0,0,0,0|2,0,0]=4 12608 B13R1.577 CCCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210303 [0,2,0,0,0,0|2,0,0]=4 12609 B13R1.577 CCCSc1ccc(c(c1)C)CF 62a_100000210303_200010711859 [0,2,0,0,0,0|2,0,0]=4 12610 B13R1.577 CCCSc1ccc(c(c1)C)CF 62a_200010711859_100000210303 [0,2,0,0,0,0|2,0,0]=4 12611 B13R1.577 CCCSc1ccc(c(c1)C)CN 62a_100000210303_100000753881 [0,2,0,0,0,0|2,0,0]=4 12612 B13R1.577 CCCSc1ccc(c(c1)C)CN 62a_100000753881_100000210303 [0,2,0,0,0,0|2,0,0]=4 12613 B13R1.577 CCCSc1ccc(c(c1)C)CO 62a_100000210303_100000748258 [0,2,0,0,0,0|2,0,0]=4 12614 B13R1.577 CCCSc1ccc(c(c1)C)CO 62a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 12615 B13R1.577 CCCSc1ccc(c(c1)C)NC 62a_100000210303_100000221803 [0,2,0,0,0,0|1,0,0]=3 12616 B13R1.577 CCCSc1ccc(c(c1)C)NC 62a_100000221803_100000210303 [0,2,0,0,0,0|1,0,0]=3 12617 B13R1.577 CCCSc1ccc(c(c1)C)NN 62a_100000210303_100000751375 [0,2,0,0,0,0|2,0,0]=4 12618 B13R1.577 CCCSc1ccc(c(c1)C)NN 62a_100000751375_100000210303 [0,2,0,0,0,0|2,0,0]=4 12619 B13R1.577 CCCSc1ccc(c(c1)C)OC 62a_100000210303_100011219705 [0,2,0,0,0,0|0,0,0]=2 12620 B13R1.577 CCCSc1ccc(c(c1)C)OC 62a_100011219705_100000210303 [0,2,0,0,0,0|0,0,0]=2 12621 B13R1.577 CCCSc1ccc(c(c1)Cl)C#N 62a_100000210303_100012349662 [0,2,0,0,0,0|2,0,0]=4 12622 B13R1.577 CCCSc1ccc(c(c1)Cl)C=O 62a_100000210303_100000727542 [0,2,0,0,0,0|2,0,0]=4 12623 B13R1.577 CCCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210303 [0,2,0,0,0,0|2,0,0]=4 12624 B13R1.577 CCCSc1ccc(c(c1)Cl)OC 62a_100000210303_100012355395 [0,2,0,0,0,0|0,0,0]=2 12625 B13R1.577 CCCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210303 [0,2,0,0,0,0|0,0,0]=2 12626 B13R1.577 CCCSc1ccc(c(c1)Cl)SC 62a_100000210303_206447510565 [0,2,0,0,0,0|0,1,0]=3 12627 B13R1.577 CCCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210303 [0,2,0,0,0,0|0,1,0]=3 12628 B13R1.577 CCCSc1ccc(c(c1)F)C#N 62a_100000210303_100000037869 [0,2,0,0,0,0|2,0,0]=4 12629 B13R1.577 CCCSc1ccc(c(c1)F)C=O 62a_100000210303_100000211676 [0,2,0,0,0,0|2,0,0]=4 12630 B13R1.577 CCCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210303 [0,2,0,0,0,0|2,0,0]=4 12631 B13R1.577 CCCSc1ccc(c(c1)F)CC 62a_100000210303_200010071577 [0,2,0,0,0,0|1,0,0]=3 12632 B13R1.577 CCCSc1ccc(c(c1)F)CC 62a_200010071577_100000210303 [0,2,0,0,0,0|1,0,0]=3 12633 B13R1.577 CCCSc1ccc(c(c1)F)CN 62a_100000210303_100000754580 [0,2,0,0,0,0|2,0,0]=4 12634 B13R1.577 CCCSc1ccc(c(c1)F)CN 62a_100000754580_100000210303 [0,2,0,0,0,0|2,0,0]=4 12635 B13R1.577 CCCSc1ccc(c(c1)F)CO 62a_100000210303_100011191541 [0,2,0,0,0,0|2,0,0]=4 12636 B13R1.577 CCCSc1ccc(c(c1)F)CO 62a_100011191541_100000210303 [0,2,0,0,0,0|2,0,0]=4 12637 B13R1.577 CCCSc1ccc(c(c1)F)NC 62a_100000210303_100000743884 [0,2,0,0,0,0|1,0,0]=3 12638 B13R1.577 CCCSc1ccc(c(c1)F)NC 62a_100000743884_100000210303 [0,2,0,0,0,0|1,0,0]=3 12639 B13R1.577 CCCSc1ccc(c(c1)F)NN 62a_100000210303_100000751572 [0,2,0,0,0,0|2,0,0]=4 12640 B13R1.577 CCCSc1ccc(c(c1)F)NN 62a_100000751572_100000210303 [0,2,0,0,0,0|2,0,0]=4 12641 B13R1.577 CCCSc1ccc(c(c1)F)OC 62a_100000171752_100000210303 [0,2,0,0,0,0|0,0,0]=2 12642 B13R1.577 CCCSc1ccc(c(c1)F)OC 62a_100000210303_100000171752 [0,2,0,0,0,0|0,0,0]=2 12643 B13R1.577 CCCSc1ccc(c(c1)F)SC 62a_100000210303_100010161220 [0,2,0,0,0,0|0,1,0]=3 12644 B13R1.577 CCCSc1ccc(c(c1)F)SC 62a_100010161220_100000210303 [0,2,0,0,0,0|0,1,0]=3 12645 B13R1.577 CCCSc1ccc(c(c1)N)C#N 62a_100000210303_100000699244 [0,2,0,0,0,0|2,0,0]=4 12646 B13R1.577 CCCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210303 [0,2,0,0,0,0|2,0,0]=4 12647 B13R1.577 CCCSc1ccc(c(c1)N)CC 62a_100000210303_100012354963 [0,2,0,0,0,0|1,0,0]=3 12648 B13R1.577 CCCSc1ccc(c(c1)N)CC 62a_100012354963_100000210303 [0,2,0,0,0,0|1,0,0]=3 12649 B13R1.577 CCCSc1ccc(c(c1)N)CO 62a_100000210303_100000718831 [0,2,0,0,0,0|2,0,0]=4 12650 B13R1.577 CCCSc1ccc(c(c1)N)CO 62a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 12651 B13R1.577 CCCSc1ccc(c(c1)N)NC 62a_100000741790_100000210303 [0,2,0,0,0,0|1,0,0]=3 12652 B13R1.577 CCCSc1ccc(c(c1)N)OC 62a_100000210303_100011249504 [0,2,0,0,0,0|0,0,0]=2 12653 B13R1.577 CCCSc1ccc(c(c1)N)OC 62a_100011249504_100000210303 [0,2,0,0,0,0|0,0,0]=2 12654 B13R1.577 CCCSc1ccc(c(c1)O)C#N 62a_100000210303_100011934713 [0,2,0,0,0,0|2,0,0]=4 12655 B13R1.577 CCCSc1ccc(c(c1)O)C=O 62a_100000210303_100011277552 [0,2,0,0,0,0|2,0,0]=4 12656 B13R1.577 CCCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210303 [0,2,0,0,0,0|2,0,0]=4 12657 B13R1.577 CCCSc1ccc(c(c1)O)CO 62a_100000071718_100000210303 [0,2,0,0,0,0|2,0,0]=4 12658 B13R1.577 CCCSc1ccc(c(c1)O)CO 62a_100000210303_100000071718 [0,2,0,0,0,0|2,0,0]=4 12659 B13R1.577 CCCSc1ccc(c(c1)O)OC 62a_100000210303_100009816560 [0,2,0,0,0,0|0,0,0]=2 12660 B13R1.577 CCCSc1ccc(c(n1)Br)OC 62a_100000210303_100010214827 [0,2,0,0,0,0|1,0,0]=3 12661 B13R1.577 CCCSc1ccc(c(n1)Br)OC 62a_100010214827_100000210303 [0,2,0,0,0,0|1,0,0]=3 12662 B13R1.577 CCCSc1ccc(c(n1)C)OC 62a_100000210303_100010244750 [0,2,0,0,0,0|1,0,0]=3 12663 B13R1.577 CCCSc1ccc(c(n1)C)OC 62a_100010244750_100000210303 [0,2,0,0,0,0|1,0,0]=3 12664 B13R1.577 CCCSc1ccc(c(n1)Cl)OC 62a_100000210303_100010233546 [0,2,0,0,0,0|1,0,0]=3 12665 B13R1.577 CCCSc1ccc(c(n1)F)OC 62a_100000210303_100010138636 [0,2,0,0,0,0|1,0,0]=3 12666 B13R1.577 CCCSc1ccc(c(n1)F)OC 62a_100010138636_100000210303 [0,2,0,0,0,0|1,0,0]=3 12667 B13R1.577 CCCSc1ccc(c(n1)N)OC 62a_100010192976_100000210303 [0,2,0,0,0,0|1,0,0]=3 12668 B13R1.577 CCCSc1cnc(c(c1)Br)OC 62a_100000210303_200010988584 [0,2,0,0,0,0|1,0,0]=3 12669 B13R1.577 CCCSc1cnc(c(c1)Br)OC 62a_200010988584_100000210303 [0,2,0,0,0,0|1,0,0]=3 12670 B13R1.577 CCCSc1cnc(c(c1)C)NC 62a_100000210303_100012357622 [0,2,0,0,0,0|2,0,0]=4 12671 B13R1.577 CCCSc1cnc(c(c1)C)NC 62a_100012357622_100000210303 [0,2,0,0,0,0|2,0,0]=4 12672 B13R1.577 CCCSc1cnc(c(c1)C)OC 62a_100000210303_100011290809 [0,2,0,0,0,0|1,0,0]=3 12673 B13R1.577 CCCSc1cnc(c(c1)C)OC 62a_100011290809_100000210303 [0,2,0,0,0,0|1,0,0]=3 12674 B13R1.577 CCCSc1cnc(c(c1)F)OC 62a_100000210303_100011880707 [0,2,0,0,0,0|1,0,0]=3 12675 B13R1.577 CCCSc1cnc(c(c1)F)OC 62a_100011880707_100000210303 [0,2,0,0,0,0|1,0,0]=3 12676 B13R1.577 CCCSc1cnc(c(c1)N)NC 62a_100000210303_100011432983 [0,2,0,0,0,0|2,0,0]=4 12677 B13R1.577 CCCSc1cnc(c(c1)N)NC 62a_100011432983_100000210303 [0,2,0,0,0,0|2,0,0]=4 12678 B13R1.577 CCCSc1cnc(c(c1)N)OC 62a_100000210303_100000748608 [0,2,0,0,0,0|1,0,0]=3 12679 B13R1.577 CCCSc1cnc(c(c1)N)OC 62a_100000748608_100000210303 [0,2,0,0,0,0|1,0,0]=3 12680 B13R1.577 CCCSc1cnc(c(c1)O)OC 62a_100000210303_100010135713 [0,2,0,0,0,0|1,0,0]=3 12681 B13R1.577 CCCSc1ncc(c(n1)C)OC 62a_100000210303_100010382893 [0,2,0,0,0,0|2,0,0]=4 12682 B13R1.577 CCCSc1ncc(c(n1)C)OC 62a_100010382893_100000210303 [0,2,0,0,0,0|2,0,0]=4 12683 B13R1.577 CCCSc1ncc(c(n1)N)OC 62a_100000210303_100009886850 [0,2,0,0,0,0|2,0,0]=4 12684 B13R1.577 CCCSc1ncc(c(n1)N)OC 62a_100009886850_100000210303 [0,2,0,0,0,0|2,0,0]=4 12685 B13R1.577 CCNCc1cc(=O)c(co1)OC 2230a_100015525214_100000081511 [0,2,0,0,0,0|1,0,0]=3 12686 B13R1.577 CCNCc1cc(c(cn1)OC)Br 207a_100015525214_100010893078 [0,2,0,0,0,0|1,0,0]=3 12687 B13R1.577 CCNCc1cc(c(cn1)OC)Br 270004a_100015525214_100010893078 [0,2,0,0,0,0|1,0,0]=3 12688 B13R1.577 CCNCc1ccc(c(c1)Br)C#N 2230a_100015525214_100012355662 [0,2,0,0,0,0|2,0,0]=4 12689 B13R1.577 CCNCc1ccc(c(c1)Br)C#N 270004a_100015525214_100012355660 [0,2,0,0,0,0|2,0,0]=4 12690 B13R1.577 CCNCc1ccc(c(c1)Br)OC 207a_100015525214_100000173361 [0,2,0,0,0,0|0,0,0]=2 12691 B13R1.577 CCNCc1ccc(c(c1)Br)OC 2230a_100015525214_200011397701 [0,2,0,0,0,0|0,0,0]=2 12692 B13R1.577 CCNCc1ccc(c(c1)Br)OC 270004a_100015525214_100000173361 [0,2,0,0,0,0|0,0,0]=2 12693 B13R1.577 CCNCc1ccc(c(c1)Br)OC 34a_100159240714_100000210202 [0,2,0,0,0,0|0,0,0]=2 12694 B13R1.577 CCNCc1ccc(c(c1)C)C#N 207a_100015525214_100000720088 [0,2,0,0,0,0|2,0,0]=4 12695 B13R1.577 CCNCc1ccc(c(c1)C)C#N 270004a_100015525214_100000720088 [0,2,0,0,0,0|2,0,0]=4 12696 B13R1.577 CCNCc1ccc(c(c1)C)OC 207a_100015525214_100000239718 [0,2,0,0,0,0|0,0,0]=2 12697 B13R1.577 CCNCc1ccc(c(c1)C)OC 2230a_100015525214_200011290836 [0,2,0,0,0,0|0,0,0]=2 12698 B13R1.577 CCNCc1ccc(c(c1)C)OC 2230a_100102679029_100000210202 [0,2,0,0,0,0|0,0,0]=2 12699 B13R1.577 CCNCc1ccc(c(c1)C)OC 270004a_100015525214_100000239718 [0,2,0,0,0,0|0,0,0]=2 12700 B13R1.577 CCNCc1ccc(c(c1)C)OC 34a_100102679029_100000210202 [0,2,0,0,0,0|0,0,0]=2 12701 B13R1.577 CCNCc1ccc(c(c1)Cl)C#N 2230a_100015525214_100010147163 [0,2,0,0,0,0|2,0,0]=4 12702 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 207a_100015525214_100000186747 [0,2,0,0,0,0|0,0,0]=2 12703 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 2230a_100000008799_100000210202 [0,2,0,0,0,0|0,0,0]=2 12704 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 2230a_100015525214_100000693707 [0,2,0,0,0,0|0,0,0]=2 12705 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 270004a_100015525214_100000186747 [0,2,0,0,0,0|0,0,0]=2 12706 B13R1.577 CCNCc1ccc(c(c1)Cl)OC 34a_100000008799_100000210202 [0,2,0,0,0,0|0,0,0]=2 12707 B13R1.577 CCNCc1ccc(c(c1)F)C#N 2230a_100015204769_100000210202 [0,2,0,0,0,0|2,0,0]=4 12708 B13R1.577 CCNCc1ccc(c(c1)F)C#N 2230a_100015525214_100011217145 [0,2,0,0,0,0|2,0,0]=4 12709 B13R1.577 CCNCc1ccc(c(c1)F)C#N 34a_100015204769_100000210202 [0,2,0,0,0,0|2,0,0]=4 12710 B13R1.577 CCNCc1ccc(c(c1)F)C=O 2230a_100015525214_100010142638 [0,2,0,0,0,0|2,0,0]=4 12711 B13R1.577 CCNCc1ccc(c(c1)F)OC 207a_100015525214_100000204617 [0,2,0,0,0,0|0,0,0]=2 12712 B13R1.577 CCNCc1ccc(c(c1)F)OC 2230a_100000737316_100000210202 [0,2,0,0,0,0|0,0,0]=2 12713 B13R1.577 CCNCc1ccc(c(c1)F)OC 2230a_100015525214_100000189595 [0,2,0,0,0,0|0,0,0]=2 12714 B13R1.577 CCNCc1ccc(c(c1)F)OC 270004a_100015525214_100000204617 [0,2,0,0,0,0|0,0,0]=2 12715 B13R1.577 CCNCc1ccc(c(c1)F)OC 34a_100000737316_100000210202 [0,2,0,0,0,0|0,0,0]=2 12716 B13R1.577 CCNCc1ccc(c(c1)I)OC 207a_100015525214_100009827998 [0,2,0,0,0,0|0,0,0]=2 12717 B13R1.577 CCNCc1ccc(c(c1)I)OC 270004a_100015525214_100009827998 [0,2,0,0,0,0|0,0,0]=2 12718 B13R1.577 CCNCc1ccc(c(c1)O)OC 34a_100000740000_100000210202 [0,2,0,0,0,0|0,0,0]=2 12719 B13R1.577 CCNCc1ccc(c(n1)Br)OC 207a_100015525214_100010174741 [0,2,0,0,0,0|1,0,0]=3 12720 B13R1.577 CCNCc1ccc(c(n1)Br)OC 270004a_100015525214_100010174741 [0,2,0,0,0,0|1,0,0]=3 12721 B13R1.577 CCNCc1cnc(c(c1)Br)OC 207a_100015525214_200010064893 [0,2,0,0,0,0|1,0,0]=3 12722 B13R1.577 CCNCc1cnc(c(c1)Br)OC 270004a_100015525214_200010064893 [0,2,0,0,0,0|1,0,0]=3 12723 B13R1.577 CCNCc1cnc(c(c1)C)OC 207a_100015525214_100012183433 [0,2,0,0,0,0|1,0,0]=3 12724 B13R1.577 CCNCc1cnc(c(c1)C)OC 270004a_100015525214_100012183433 [0,2,0,0,0,0|1,0,0]=3 12725 B13R1.577 CCNCc1cnc(c(c1)Cl)OC 207a_100015525214_100000081810 [0,2,0,0,0,0|1,0,0]=3 12726 B13R1.577 CCNCc1cnc(c(c1)Cl)OC 270004a_100015525214_100000081810 [0,2,0,0,0,0|1,0,0]=3 12727 B13R1.577 CCNCc1cnc(c(c1)F)OC 207a_100015525214_100000081167 [0,2,0,0,0,0|1,0,0]=3 12728 B13R1.577 CCNCc1cnc(c(c1)F)OC 270004a_100015525214_100000081167 [0,2,0,0,0,0|1,0,0]=3 12729 B13R1.577 CCOCc1ccc(c(c1)Br)OC 34a_100000246451_100000210202 [0,2,0,0,0,0|0,0,0]=2 12730 B13R1.577 CCOCc1ccc(c(c1)Br)OC 34a_100121572206_200011397701 [0,2,0,0,0,0|0,0,0]=2 12731 B13R1.577 CCOCc1ccc(c(c1)Br)OC 7a_100000246451_100000210202 [0,2,0,0,0,0|0,0,0]=2 12732 B13R1.577 CCOCc1ccc(c(c1)C)OC 34a_100121572206_200011290836 [0,2,0,0,0,0|0,0,0]=2 12733 B13R1.577 CCOCc1ccc(c(c1)C)OC 34a_200011290855_100000210202 [0,2,0,0,0,0|0,0,0]=2 12734 B13R1.577 CCOCc1ccc(c(c1)C)OC 7a_200011290855_100000210202 [0,2,0,0,0,0|0,0,0]=2 12735 B13R1.577 CCOCc1ccc(c(c1)Cl)C#N 34a_100009876504_100000210202 [0,2,0,0,0,0|2,0,0]=4 12736 B13R1.577 CCOCc1ccc(c(c1)Cl)C#N 7a_100009876504_100000210202 [0,2,0,0,0,0|2,0,0]=4 12737 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 34a_100000694469_100000210202 [0,2,0,0,0,0|0,0,0]=2 12738 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 34a_100121572206_100000693707 [0,2,0,0,0,0|0,0,0]=2 12739 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 7a_100000694469_100000210202 [0,2,0,0,0,0|0,0,0]=2 12740 B13R1.577 CCOCc1ccc(c(c1)F)C#N 34a_100000068502_100000210202 [0,2,0,0,0,0|2,0,0]=4 12741 B13R1.577 CCOCc1ccc(c(c1)F)C#N 34a_100121572206_100011217145 [0,2,0,0,0,0|2,0,0]=4 12742 B13R1.577 CCOCc1ccc(c(c1)F)C#N 7a_100000068502_100000210202 [0,2,0,0,0,0|2,0,0]=4 12743 B13R1.577 CCOCc1ccc(c(c1)F)C=O 34a_100121572206_100010142638 [0,2,0,0,0,0|2,0,0]=4 12744 B13R1.577 CCOCc1ccc(c(c1)F)OC 34a_100000246395_100000210202 [0,2,0,0,0,0|0,0,0]=2 12745 B13R1.577 CCOCc1ccc(c(c1)F)OC 34a_100121572206_100000189595 [0,2,0,0,0,0|0,0,0]=2 12746 B13R1.577 CCOCc1ccc(c(c1)F)OC 7a_100000246395_100000210202 [0,2,0,0,0,0|0,0,0]=2 12747 B13R1.577 CCOCc1ccc(c(c1)I)OC 34a_200000013966_100000210202 [0,2,0,0,0,0|0,0,0]=2 12748 B13R1.577 CCOCc1ccc(c(c1)I)OC 7a_200000013966_100000210202 [0,2,0,0,0,0|0,0,0]=2 12749 B13R1.577 CCOCc1ccc(c(c1)N)OC 34a_100011269841_100000210202 [0,2,0,0,0,0|0,0,0]=2 12750 B13R1.577 CCOCc1ccc(c(n1)Br)OC 34a_100010205416_100000210202 [0,2,0,0,0,0|1,0,0]=3 12751 B13R1.577 CCOCc1ccc(c(n1)Br)OC 7a_100010205416_100000210202 [0,2,0,0,0,0|1,0,0]=3 12752 B13R1.577 CCOCc1ccc(c(n1)Cl)OC 34a_100009842956_100000210202 [0,2,0,0,0,0|1,0,0]=3 12753 B13R1.577 CCOCc1ccc(c(n1)Cl)OC 7a_100009842956_100000210202 [0,2,0,0,0,0|1,0,0]=3 12754 B13R1.577 CCOCc1cnc(c(c1)Cl)OC 34a_200011438738_100000210202 [0,2,0,0,0,0|1,0,0]=3 12755 B13R1.577 CCSCc1cc(=O)c(co1)OC 62a_100000210202_100000081511 [0,2,0,0,0,0|1,0,0]=3 12756 B13R1.577 CCSCc1ccc(c(c1)Br)C#N 62a_100000210202_100012355662 [0,2,0,0,0,0|2,0,0]=4 12757 B13R1.577 CCSCc1ccc(c(c1)Br)C#N 62a_100012355662_100000210202 [0,2,0,0,0,0|2,0,0]=4 12758 B13R1.577 CCSCc1ccc(c(c1)Br)OC 62a_100000210202_200011397701 [0,2,0,0,0,0|0,0,0]=2 12759 B13R1.577 CCSCc1ccc(c(c1)Br)OC 62a_200011397701_100000210202 [0,2,0,0,0,0|0,0,0]=2 12760 B13R1.577 CCSCc1ccc(c(c1)C)OC 62a_100000210202_200011290836 [0,2,0,0,0,0|0,0,0]=2 12761 B13R1.577 CCSCc1ccc(c(c1)C)OC 62a_200011290836_100000210202 [0,2,0,0,0,0|0,0,0]=2 12762 B13R1.577 CCSCc1ccc(c(c1)Cl)C#N 62a_100000210202_100010147163 [0,2,0,0,0,0|2,0,0]=4 12763 B13R1.577 CCSCc1ccc(c(c1)Cl)OC 62a_100000210202_100000693707 [0,2,0,0,0,0|0,0,0]=2 12764 B13R1.577 CCSCc1ccc(c(c1)Cl)OC 62a_100000693707_100000210202 [0,2,0,0,0,0|0,0,0]=2 12765 B13R1.577 CCSCc1ccc(c(c1)F)C#N 62a_100000210202_100011217145 [0,2,0,0,0,0|2,0,0]=4 12766 B13R1.577 CCSCc1ccc(c(c1)F)C=O 62a_100000210202_100010142638 [0,2,0,0,0,0|2,0,0]=4 12767 B13R1.577 CCSCc1ccc(c(c1)F)C=O 62a_100010142638_100000210202 [0,2,0,0,0,0|2,0,0]=4 12768 B13R1.577 CCSCc1ccc(c(c1)F)OC 62a_100000189595_100000210202 [0,2,0,0,0,0|0,0,0]=2 12769 B13R1.577 CCSCc1ccc(c(c1)F)OC 62a_100000210202_100000189595 [0,2,0,0,0,0|0,0,0]=2 12770 B13R1.577 CCc1ccc(cc1Cl)NCCF 2230a_100000766362_100011217306 [0,2,0,0,0,0|2,0,0]=4 12771 B13R1.577 CCc1ccc(cc1Cl)NCCF 34a_100000766362_100011217306 [0,2,0,0,0,0|2,0,0]=4 12772 B13R1.577 CCc1ccc(cc1Cl)NCCF 7a_100000766362_100011217306 [0,2,0,0,0,0|2,0,0]=4 12773 B13R1.577 CCc1ccc(cc1Cl)NCCO 2230a_100000766362_100000211926 [0,2,0,0,0,0|2,0,0]=4 12774 B13R1.577 CCc1ccc(cc1Cl)NCCO 34a_100000766362_100000211926 [0,2,0,0,0,0|2,0,0]=4 12775 B13R1.577 CCc1ccc(cc1Cl)NCCO 7a_100000766362_100000211926 [0,2,0,0,0,0|2,0,0]=4 12776 B13R1.577 CCc1ccc(cc1Cl)NCOC 2230a_100000766362_100000766300 [0,2,0,0,0,0|2,0,0]=4 12777 B13R1.577 CCc1ccc(cc1Cl)NCSC 2230a_100000766362_100011218213 [0,2,0,0,0,0|2,0,0]=4 12778 B13R1.577 CCc1ccc(cc1Cl)NCSC 34a_100000766362_100011218213 [0,2,0,0,0,0|2,0,0]=4 12779 B13R1.577 CCc1ccc(cc1Cl)OCCF 34a_100009886192_100011217306 [0,2,0,0,0,0|2,0,0]=4 12780 B13R1.577 CCc1ccc(cc1Cl)OCCF 7a_100009886192_100011217306 [0,2,0,0,0,0|2,0,0]=4 12781 B13R1.577 CCc1ccc(cc1Cl)OCCO 34a_100009886192_100000211926 [0,2,0,0,0,0|2,0,0]=4 12782 B13R1.577 CCc1ccc(cc1Cl)OCCO 7a_100009886192_100000211926 [0,2,0,0,0,0|2,0,0]=4 12783 B13R1.577 CCc1ccc(cc1Cl)OCSC 34a_100009886192_100011218213 [0,2,0,0,0,0|2,0,0]=4 12784 B13R1.577 CCc1ccc(cc1F)SCCF 62a_100011217306_200010071577 [0,2,0,0,0,0|2,0,0]=4 12785 B13R1.577 CCc1ccc(cc1F)SCCF 62a_200010071577_100011217306 [0,2,0,0,0,0|2,0,0]=4 12786 B13R1.577 CCc1ccc(cc1F)SCCO 62a_100000211926_200010071577 [0,2,0,0,0,0|2,0,0]=4 12787 B13R1.577 CCc1ccc(cc1F)SCCO 62a_200010071577_100000211926 [0,2,0,0,0,0|2,0,0]=4 12788 B13R1.577 CCc1ccc(cc1F)SCOC 62a_100000766300_200010071577 [0,2,0,0,0,0|2,0,0]=4 12789 B13R1.577 CCc1ccc(cc1F)SCOC 62a_200010071577_100000766300 [0,2,0,0,0,0|2,0,0]=4 12790 B13R1.577 CCc1ccc(cc1F)SCSC 62a_100011218213_200010071577 [0,2,0,0,0,0|2,0,0]=4 12791 B13R1.577 CCc1ccc(cc1F)SCSC 62a_200010071577_100011218213 [0,2,0,0,0,0|2,0,0]=4 12792 B13R1.577 CCc1ccc(cc1N)SCCF 62a_100011217306_100012354963 [0,2,0,0,0,0|2,0,0]=4 12793 B13R1.577 CCc1ccc(cc1N)SCCF 62a_100012354963_100011217306 [0,2,0,0,0,0|2,0,0]=4 12794 B13R1.577 CCc1ccc(cc1N)SCCO 62a_100000211926_100012354963 [0,2,0,0,0,0|2,0,0]=4 12795 B13R1.577 CCc1ccc(cc1N)SCCO 62a_100012354963_100000211926 [0,2,0,0,0,0|2,0,0]=4 12796 B13R1.577 CCc1ccc(cc1N)SCOC 62a_100000766300_100012354963 [0,2,0,0,0,0|2,0,0]=4 12797 B13R1.577 CCc1ccc(cc1N)SCOC 62a_100012354963_100000766300 [0,2,0,0,0,0|2,0,0]=4 12798 B13R1.577 CCc1ccc(cc1N)SCSC 62a_100011218213_100012354963 [0,2,0,0,0,0|2,0,0]=4 12799 B13R1.577 CCc1ccc(cc1N)SCSC 62a_100012354963_100011218213 [0,2,0,0,0,0|2,0,0]=4 12800 B13R1.577 CNCCc1ccc(c(c1)Br)OC 2230a_103549771065_200000210301 [0,2,0,0,0,0|0,0,0]=2 12801 B13R1.577 CNCCc1ccc(c(c1)Br)OC 34a_103549771065_200000210301 [0,2,0,0,0,0|0,0,0]=2 12802 B13R1.577 CNCCc1ccc(c(c1)Cl)OC 2230a_100025770840_200000210301 [0,2,0,0,0,0|0,0,0]=2 12803 B13R1.577 CNCCc1ccc(c(c1)Cl)OC 34a_100025770840_200000210301 [0,2,0,0,0,0|0,0,0]=2 12804 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [0,2,0,0,0,0|0,0,0]=2 12805 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [0,2,0,0,0,0|0,0,0]=2 12806 B13R1.577 CNc1ccc(cc1C)OCCF 34a_100161107805_100011217306 [0,2,0,0,0,0|2,0,0]=4 12807 B13R1.577 CNc1ccc(cc1C)OCCF 7a_100161107805_100011217306 [0,2,0,0,0,0|2,0,0]=4 12808 B13R1.577 CNc1ccc(cc1C)OCCO 34a_100161107805_100000211926 [0,2,0,0,0,0|2,0,0]=4 12809 B13R1.577 CNc1ccc(cc1C)OCCO 7a_100161107805_100000211926 [0,2,0,0,0,0|2,0,0]=4 12810 B13R1.577 CNc1ccc(cc1C)OCSC 34a_100161107805_100011218213 [0,2,0,0,0,0|2,0,0]=4 12811 B13R1.577 CNc1ccc(cc1C)SCCF 62a_100000221803_100011217306 [0,2,0,0,0,0|2,0,0]=4 12812 B13R1.577 CNc1ccc(cc1C)SCCF 62a_100011217306_100000221803 [0,2,0,0,0,0|2,0,0]=4 12813 B13R1.577 CNc1ccc(cc1C)SCCO 62a_100000211926_100000221803 [0,2,0,0,0,0|2,0,0]=4 12814 B13R1.577 CNc1ccc(cc1C)SCCO 62a_100000221803_100000211926 [0,2,0,0,0,0|2,0,0]=4 12815 B13R1.577 CNc1ccc(cc1C)SCOC 62a_100000221803_100000766300 [0,2,0,0,0,0|2,0,0]=4 12816 B13R1.577 CNc1ccc(cc1C)SCOC 62a_100000766300_100000221803 [0,2,0,0,0,0|2,0,0]=4 12817 B13R1.577 CNc1ccc(cc1C)SCSC 62a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 12818 B13R1.577 CNc1ccc(cc1C)SCSC 62a_100011218213_100000221803 [0,2,0,0,0,0|2,0,0]=4 12819 B13R1.577 CNc1ccc(cc1F)SCCF 62a_100000743884_100011217306 [0,2,0,0,0,0|2,0,0]=4 12820 B13R1.577 CNc1ccc(cc1F)SCCF 62a_100011217306_100000743884 [0,2,0,0,0,0|2,0,0]=4 12821 B13R1.577 CNc1ccc(cc1F)SCCO 62a_100000211926_100000743884 [0,2,0,0,0,0|2,0,0]=4 12822 B13R1.577 CNc1ccc(cc1F)SCCO 62a_100000743884_100000211926 [0,2,0,0,0,0|2,0,0]=4 12823 B13R1.577 CNc1ccc(cc1F)SCOC 62a_100000743884_100000766300 [0,2,0,0,0,0|2,0,0]=4 12824 B13R1.577 CNc1ccc(cc1F)SCOC 62a_100000766300_100000743884 [0,2,0,0,0,0|2,0,0]=4 12825 B13R1.577 CNc1ccc(cc1F)SCSC 62a_100000743884_100011218213 [0,2,0,0,0,0|2,0,0]=4 12826 B13R1.577 CNc1ccc(cc1F)SCSC 62a_100011218213_100000743884 [0,2,0,0,0,0|2,0,0]=4 12827 B13R1.577 CNc1ccc(cc1N)SCCF 62a_100000741790_100011217306 [0,2,0,0,0,0|2,0,0]=4 12828 B13R1.577 CNc1ccc(cc1N)SCCO 62a_100000741790_100000211926 [0,2,0,0,0,0|2,0,0]=4 12829 B13R1.577 CNc1ccc(cc1N)SCOC 62a_100000741790_100000766300 [0,2,0,0,0,0|2,0,0]=4 12830 B13R1.577 CNc1ccc(cc1N)SCSC 62a_100000741790_100011218213 [0,2,0,0,0,0|2,0,0]=4 12831 B13R1.577 COCCc1ccc(c(c1)Br)OC 34a_100011962876_200000210301 [0,2,0,0,0,0|0,0,0]=2 12832 B13R1.577 COCCc1ccc(c(c1)Br)OC 7a_100011962876_200000210301 [0,2,0,0,0,0|0,0,0]=2 12833 B13R1.577 COCCc1ccc(c(c1)F)OC 34a_100011755164_200000210301 [0,2,0,0,0,0|0,0,0]=2 12834 B13R1.577 COCCc1ccc(c(c1)F)OC 7a_100011755164_200000210301 [0,2,0,0,0,0|0,0,0]=2 12835 B13R1.577 COCNc1ccc(c(c1)C)OC 2230a_100000743268_100000766300 [0,2,0,0,0,0|1,0,0]=3 12836 B13R1.577 COCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000766300 [0,2,0,0,0,0|1,0,0]=3 12837 B13R1.577 COCNc1ccc(c(c1)F)OC 2230a_100000740183_100000766300 [0,2,0,0,0,0|1,0,0]=3 12838 B13R1.577 COCNc1ccc(c(c1)F)SC 2230a_100000762756_100000766300 [0,2,0,0,0,0|1,1,0]=4 12839 B13R1.577 COCOc1ccc(c(c1)F)SC 62a_100012265695_200000210301 [0,2,0,0,0,0|1,1,0]=4 12840 B13R1.577 COCOc1ccc(c(c1)F)SC 62a_200000210301_100012265695 [0,2,0,0,0,0|1,1,0]=4 12841 B13R1.577 COCOc1ccc(c(c1)F)S[13CH3] 62a_100012265695_200025704644 [0,2,0,0,0,0|1,1,0]=4 12842 B13R1.577 COCOc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100012265695 [0,2,0,0,0,0|1,1,0]=4 12843 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [0,2,0,0,0,0|1,0,0]=3 12844 B13R1.577 COCSc1cc(c(cn1)OC)N 62a_100000766300_100010896307 [0,2,0,0,0,0|2,0,0]=4 12845 B13R1.577 COCSc1cc(c(cn1)OC)N 62a_100010896307_100000766300 [0,2,0,0,0,0|2,0,0]=4 12846 B13R1.577 COCSc1cc(c(cn1)OC)O 62a_100000766300_100010264082 [0,2,0,0,0,0|2,0,0]=4 12847 B13R1.577 COCSc1ccc(c(c1)Br)OC 62a_100000766300_100011249507 [0,2,0,0,0,0|1,0,0]=3 12848 B13R1.577 COCSc1ccc(c(c1)Br)OC 62a_100011249507_100000766300 [0,2,0,0,0,0|1,0,0]=3 12849 B13R1.577 COCSc1ccc(c(c1)C)OC 62a_100000766300_100011219705 [0,2,0,0,0,0|1,0,0]=3 12850 B13R1.577 COCSc1ccc(c(c1)C)OC 62a_100011219705_100000766300 [0,2,0,0,0,0|1,0,0]=3 12851 B13R1.577 COCSc1ccc(c(c1)Cl)OC 62a_100000766300_100012355395 [0,2,0,0,0,0|1,0,0]=3 12852 B13R1.577 COCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000766300 [0,2,0,0,0,0|1,0,0]=3 12853 B13R1.577 COCSc1ccc(c(c1)Cl)SC 62a_100000766300_206447510565 [0,2,0,0,0,0|1,1,0]=4 12854 B13R1.577 COCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000766300 [0,2,0,0,0,0|1,1,0]=4 12855 B13R1.577 COCSc1ccc(c(c1)F)OC 62a_100000171752_100000766300 [0,2,0,0,0,0|1,0,0]=3 12856 B13R1.577 COCSc1ccc(c(c1)F)OC 62a_100000766300_100000171752 [0,2,0,0,0,0|1,0,0]=3 12857 B13R1.577 COCSc1ccc(c(c1)F)SC 62a_100000766300_100010161220 [0,2,0,0,0,0|1,1,0]=4 12858 B13R1.577 COCSc1ccc(c(c1)F)SC 62a_100010161220_100000766300 [0,2,0,0,0,0|1,1,0]=4 12859 B13R1.577 COCSc1ccc(c(c1)N)OC 62a_100000766300_100011249504 [0,2,0,0,0,0|1,0,0]=3 12860 B13R1.577 COCSc1ccc(c(c1)N)OC 62a_100011249504_100000766300 [0,2,0,0,0,0|1,0,0]=3 12861 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [0,2,0,0,0,0|1,0,0]=3 12862 B13R1.577 COCSc1ccc(c(n1)Br)OC 62a_100000766300_100010214827 [0,2,0,0,0,0|2,0,0]=4 12863 B13R1.577 COCSc1ccc(c(n1)Br)OC 62a_100010214827_100000766300 [0,2,0,0,0,0|2,0,0]=4 12864 B13R1.577 COCSc1ccc(c(n1)C)OC 62a_100000766300_100010244750 [0,2,0,0,0,0|2,0,0]=4 12865 B13R1.577 COCSc1ccc(c(n1)C)OC 62a_100010244750_100000766300 [0,2,0,0,0,0|2,0,0]=4 12866 B13R1.577 COCSc1ccc(c(n1)Cl)OC 62a_100000766300_100010233546 [0,2,0,0,0,0|2,0,0]=4 12867 B13R1.577 COCSc1ccc(c(n1)F)OC 62a_100000766300_100010138636 [0,2,0,0,0,0|2,0,0]=4 12868 B13R1.577 COCSc1ccc(c(n1)F)OC 62a_100010138636_100000766300 [0,2,0,0,0,0|2,0,0]=4 12869 B13R1.577 COCSc1ccc(c(n1)N)OC 62a_100010192976_100000766300 [0,2,0,0,0,0|2,0,0]=4 12870 B13R1.577 COCSc1cnc(c(c1)Br)OC 62a_100000766300_200010988584 [0,2,0,0,0,0|2,0,0]=4 12871 B13R1.577 COCSc1cnc(c(c1)Br)OC 62a_200010988584_100000766300 [0,2,0,0,0,0|2,0,0]=4 12872 B13R1.577 COCSc1cnc(c(c1)C)OC 62a_100000766300_100011290809 [0,2,0,0,0,0|2,0,0]=4 12873 B13R1.577 COCSc1cnc(c(c1)C)OC 62a_100011290809_100000766300 [0,2,0,0,0,0|2,0,0]=4 12874 B13R1.577 COCSc1cnc(c(c1)F)OC 62a_100000766300_100011880707 [0,2,0,0,0,0|2,0,0]=4 12875 B13R1.577 COCSc1cnc(c(c1)F)OC 62a_100011880707_100000766300 [0,2,0,0,0,0|2,0,0]=4 12876 B13R1.577 COCSc1cnc(c(c1)N)OC 62a_100000748608_100000766300 [0,2,0,0,0,0|2,0,0]=4 12877 B13R1.577 COCSc1cnc(c(c1)N)OC 62a_100000766300_100000748608 [0,2,0,0,0,0|2,0,0]=4 12878 B13R1.577 COCSc1cnc(c(c1)O)OC 62a_100000766300_100010135713 [0,2,0,0,0,0|2,0,0]=4 12879 B13R1.577 COc1ccc(cc1Br)CCN[13CH3] 2230a_103549771065_200025704644 [0,2,0,0,0,0|0,0,0]=2 12880 B13R1.577 COc1ccc(cc1Br)CCN[13CH3] 34a_103549771065_200025704644 [0,2,0,0,0,0|0,0,0]=2 12881 B13R1.577 COc1ccc(cc1Br)CCO[13CH3] 34a_100011962876_200025704644 [0,2,0,0,0,0|0,0,0]=2 12882 B13R1.577 COc1ccc(cc1Br)CCO[13CH3] 7a_100011962876_200025704644 [0,2,0,0,0,0|0,0,0]=2 12883 B13R1.577 COc1ccc(cc1Br)CNCF 34a_100159240714_100015361967 [0,2,0,0,0,0|1,0,0]=3 12884 B13R1.577 COc1ccc(cc1Br)COCF 34a_100000246451_100015361967 [0,2,0,0,0,0|1,0,0]=3 12885 B13R1.577 COc1ccc(cc1Br)COCF 7a_100000246451_100015361967 [0,2,0,0,0,0|1,0,0]=3 12886 B13R1.577 COc1ccc(cc1Br)CSCF 62a_100015361967_200011397701 [0,2,0,0,0,0|1,0,0]=3 12887 B13R1.577 COc1ccc(cc1Br)CSCF 62a_200011397701_100015361967 [0,2,0,0,0,0|1,0,0]=3 12888 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [0,2,0,0,0,0|1,0,1]=4 12889 B13R1.577 COc1ccc(cc1Br)NCCF 34a_100000187427_100011217306 [0,2,0,0,0,0|1,0,0]=3 12890 B13R1.577 COc1ccc(cc1Br)NCCO 34a_100000187427_100000211926 [0,2,0,0,0,0|1,0,0]=3 12891 B13R1.577 COc1ccc(cc1Br)NCSC 34a_100000187427_100011218213 [0,2,0,0,0,0|1,0,0]=3 12892 B13R1.577 COc1ccc(cc1Br)OCC#N 7a_100010234764_100011215382 [0,2,0,0,0,0|1,0,1]=4 12893 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [0,2,0,0,0,0|1,0,1]=4 12894 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [0,2,0,0,0,0|1,0,1]=4 12895 B13R1.577 COc1ccc(cc1Br)OCCF 34a_100010234764_100011217306 [0,2,0,0,0,0|1,0,0]=3 12896 B13R1.577 COc1ccc(cc1Br)OCCF 7a_100010234764_100011217306 [0,2,0,0,0,0|1,0,0]=3 12897 B13R1.577 COc1ccc(cc1Br)OCCO 34a_100010234764_100000211926 [0,2,0,0,0,0|1,0,0]=3 12898 B13R1.577 COc1ccc(cc1Br)OCCO 7a_100010234764_100000211926 [0,2,0,0,0,0|1,0,0]=3 12899 B13R1.577 COc1ccc(cc1Br)OCSC 34a_100010234764_100011218213 [0,2,0,0,0,0|1,0,0]=3 12900 B13R1.577 COc1ccc(cc1Br)SCC#N 62a_100011215382_100011249507 [0,2,0,0,0,0|1,0,1]=4 12901 B13R1.577 COc1ccc(cc1Br)SCC#N 62a_100011249507_100011215382 [0,2,0,0,0,0|1,0,1]=4 12902 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [0,2,0,0,0,0|1,0,1]=4 12903 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [0,2,0,0,0,0|1,0,1]=4 12904 B13R1.577 COc1ccc(cc1Br)SCCF 62a_100011217306_100011249507 [0,2,0,0,0,0|1,0,0]=3 12905 B13R1.577 COc1ccc(cc1Br)SCCF 62a_100011249507_100011217306 [0,2,0,0,0,0|1,0,0]=3 12906 B13R1.577 COc1ccc(cc1Br)SCCO 62a_100000211926_100011249507 [0,2,0,0,0,0|1,0,0]=3 12907 B13R1.577 COc1ccc(cc1Br)SCCO 62a_100011249507_100000211926 [0,2,0,0,0,0|1,0,0]=3 12908 B13R1.577 COc1ccc(cc1Br)SCSC 62a_100011218213_100011249507 [0,2,0,0,0,0|1,0,0]=3 12909 B13R1.577 COc1ccc(cc1Br)SCSC 62a_100011249507_100011218213 [0,2,0,0,0,0|1,0,0]=3 12910 B13R1.577 COc1ccc(cc1C)CNCF 34a_100102679029_100015361967 [0,2,0,0,0,0|1,0,0]=3 12911 B13R1.577 COc1ccc(cc1C)COCF 34a_200011290855_100015361967 [0,2,0,0,0,0|1,0,0]=3 12912 B13R1.577 COc1ccc(cc1C)COCF 7a_200011290855_100015361967 [0,2,0,0,0,0|1,0,0]=3 12913 B13R1.577 COc1ccc(cc1C)CSCF 62a_100015361967_200011290836 [0,2,0,0,0,0|1,0,0]=3 12914 B13R1.577 COc1ccc(cc1C)CSCF 62a_200011290836_100015361967 [0,2,0,0,0,0|1,0,0]=3 12915 B13R1.577 COc1ccc(cc1C)NCC#N 2230a_100000743268_100011215382 [0,2,0,0,0,0|1,0,1]=4 12916 B13R1.577 COc1ccc(cc1C)NCC#N 7a_100000743268_100011215382 [0,2,0,0,0,0|1,0,1]=4 12917 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [0,2,0,0,0,0|1,0,1]=4 12918 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [0,2,0,0,0,0|1,0,1]=4 12919 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [0,2,0,0,0,0|1,0,1]=4 12920 B13R1.577 COc1ccc(cc1C)NCCF 2230a_100000743268_100011217306 [0,2,0,0,0,0|1,0,0]=3 12921 B13R1.577 COc1ccc(cc1C)NCCF 34a_100000743268_100011217306 [0,2,0,0,0,0|1,0,0]=3 12922 B13R1.577 COc1ccc(cc1C)NCCF 7a_100000743268_100011217306 [0,2,0,0,0,0|1,0,0]=3 12923 B13R1.577 COc1ccc(cc1C)NCCO 2230a_100000743268_100000211926 [0,2,0,0,0,0|1,0,0]=3 12924 B13R1.577 COc1ccc(cc1C)NCCO 34a_100000743268_100000211926 [0,2,0,0,0,0|1,0,0]=3 12925 B13R1.577 COc1ccc(cc1C)NCCO 7a_100000743268_100000211926 [0,2,0,0,0,0|1,0,0]=3 12926 B13R1.577 COc1ccc(cc1C)NCSC 2230a_100000743268_100011218213 [0,2,0,0,0,0|1,0,0]=3 12927 B13R1.577 COc1ccc(cc1C)NCSC 34a_100000743268_100011218213 [0,2,0,0,0,0|1,0,0]=3 12928 B13R1.577 COc1ccc(cc1C)OCC#N 7a_100000759738_100011215382 [0,2,0,0,0,0|1,0,1]=4 12929 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [0,2,0,0,0,0|1,0,1]=4 12930 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [0,2,0,0,0,0|1,0,1]=4 12931 B13R1.577 COc1ccc(cc1C)OCCF 34a_100000759738_100011217306 [0,2,0,0,0,0|1,0,0]=3 12932 B13R1.577 COc1ccc(cc1C)OCCF 7a_100000759738_100011217306 [0,2,0,0,0,0|1,0,0]=3 12933 B13R1.577 COc1ccc(cc1C)OCCO 34a_100000759738_100000211926 [0,2,0,0,0,0|1,0,0]=3 12934 B13R1.577 COc1ccc(cc1C)OCCO 7a_100000759738_100000211926 [0,2,0,0,0,0|1,0,0]=3 12935 B13R1.577 COc1ccc(cc1C)OCSC 34a_100000759738_100011218213 [0,2,0,0,0,0|1,0,0]=3 12936 B13R1.577 COc1ccc(cc1C)SCC#N 62a_100011215382_100011219705 [0,2,0,0,0,0|1,0,1]=4 12937 B13R1.577 COc1ccc(cc1C)SCC#N 62a_100011219705_100011215382 [0,2,0,0,0,0|1,0,1]=4 12938 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [0,2,0,0,0,0|1,0,1]=4 12939 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [0,2,0,0,0,0|1,0,1]=4 12940 B13R1.577 COc1ccc(cc1C)SCCF 62a_100011217306_100011219705 [0,2,0,0,0,0|1,0,0]=3 12941 B13R1.577 COc1ccc(cc1C)SCCF 62a_100011219705_100011217306 [0,2,0,0,0,0|1,0,0]=3 12942 B13R1.577 COc1ccc(cc1C)SCCO 62a_100000211926_100011219705 [0,2,0,0,0,0|1,0,0]=3 12943 B13R1.577 COc1ccc(cc1C)SCCO 62a_100011219705_100000211926 [0,2,0,0,0,0|1,0,0]=3 12944 B13R1.577 COc1ccc(cc1C)SCSC 62a_100011218213_100011219705 [0,2,0,0,0,0|1,0,0]=3 12945 B13R1.577 COc1ccc(cc1C)SCSC 62a_100011219705_100011218213 [0,2,0,0,0,0|1,0,0]=3 12946 B13R1.577 COc1ccc(cc1Cl)CCN[13CH3] 2230a_100025770840_200025704644 [0,2,0,0,0,0|0,0,0]=2 12947 B13R1.577 COc1ccc(cc1Cl)CCN[13CH3] 34a_100025770840_200025704644 [0,2,0,0,0,0|0,0,0]=2 12948 B13R1.577 COc1ccc(cc1Cl)CNCF 34a_100000008799_100015361967 [0,2,0,0,0,0|1,0,0]=3 12949 B13R1.577 COc1ccc(cc1Cl)COCF 34a_100000694469_100015361967 [0,2,0,0,0,0|1,0,0]=3 12950 B13R1.577 COc1ccc(cc1Cl)COCF 7a_100000694469_100015361967 [0,2,0,0,0,0|1,0,0]=3 12951 B13R1.577 COc1ccc(cc1Cl)CSCF 62a_100000693707_100015361967 [0,2,0,0,0,0|1,0,0]=3 12952 B13R1.577 COc1ccc(cc1Cl)CSCF 62a_100015361967_100000693707 [0,2,0,0,0,0|1,0,0]=3 12953 B13R1.577 COc1ccc(cc1Cl)NCC#N 2230a_100000211044_100011215382 [0,2,0,0,0,0|1,0,1]=4 12954 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [0,2,0,0,0,0|1,0,1]=4 12955 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [0,2,0,0,0,0|1,0,1]=4 12956 B13R1.577 COc1ccc(cc1Cl)NCCF 2230a_100000211044_100011217306 [0,2,0,0,0,0|1,0,0]=3 12957 B13R1.577 COc1ccc(cc1Cl)NCCF 34a_100000211044_100011217306 [0,2,0,0,0,0|1,0,0]=3 12958 B13R1.577 COc1ccc(cc1Cl)NCCO 2230a_100000211044_100000211926 [0,2,0,0,0,0|1,0,0]=3 12959 B13R1.577 COc1ccc(cc1Cl)NCCO 34a_100000211044_100000211926 [0,2,0,0,0,0|1,0,0]=3 12960 B13R1.577 COc1ccc(cc1Cl)NCSC 2230a_100000211044_100011218213 [0,2,0,0,0,0|1,0,0]=3 12961 B13R1.577 COc1ccc(cc1Cl)NCSC 34a_100000211044_100011218213 [0,2,0,0,0,0|1,0,0]=3 12962 B13R1.577 COc1ccc(cc1Cl)OCC#N 7a_200009861682_100011215382 [0,2,0,0,0,0|1,0,1]=4 12963 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [0,2,0,0,0,0|1,0,1]=4 12964 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [0,2,0,0,0,0|1,0,1]=4 12965 B13R1.577 COc1ccc(cc1Cl)OCCF 34a_200009861682_100011217306 [0,2,0,0,0,0|1,0,0]=3 12966 B13R1.577 COc1ccc(cc1Cl)OCCF 7a_200009861682_100011217306 [0,2,0,0,0,0|1,0,0]=3 12967 B13R1.577 COc1ccc(cc1Cl)OCCO 34a_200009861682_100000211926 [0,2,0,0,0,0|1,0,0]=3 12968 B13R1.577 COc1ccc(cc1Cl)OCCO 7a_200009861682_100000211926 [0,2,0,0,0,0|1,0,0]=3 12969 B13R1.577 COc1ccc(cc1Cl)OCSC 34a_200009861682_100011218213 [0,2,0,0,0,0|1,0,0]=3 12970 B13R1.577 COc1ccc(cc1Cl)SCC#N 62a_100011215382_100012355395 [0,2,0,0,0,0|1,0,1]=4 12971 B13R1.577 COc1ccc(cc1Cl)SCC#N 62a_100012355395_100011215382 [0,2,0,0,0,0|1,0,1]=4 12972 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [0,2,0,0,0,0|1,0,1]=4 12973 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [0,2,0,0,0,0|1,0,1]=4 12974 B13R1.577 COc1ccc(cc1Cl)SCCF 62a_100011217306_100012355395 [0,2,0,0,0,0|1,0,0]=3 12975 B13R1.577 COc1ccc(cc1Cl)SCCF 62a_100012355395_100011217306 [0,2,0,0,0,0|1,0,0]=3 12976 B13R1.577 COc1ccc(cc1Cl)SCCO 62a_100000211926_100012355395 [0,2,0,0,0,0|1,0,0]=3 12977 B13R1.577 COc1ccc(cc1Cl)SCCO 62a_100012355395_100000211926 [0,2,0,0,0,0|1,0,0]=3 12978 B13R1.577 COc1ccc(cc1Cl)SCSC 62a_100011218213_100012355395 [0,2,0,0,0,0|1,0,0]=3 12979 B13R1.577 COc1ccc(cc1Cl)SCSC 62a_100012355395_100011218213 [0,2,0,0,0,0|1,0,0]=3 12980 B13R1.577 COc1ccc(cc1F)CCO[13CH3] 34a_100011755164_200025704644 [0,2,0,0,0,0|0,0,0]=2 12981 B13R1.577 COc1ccc(cc1F)CCO[13CH3] 7a_100011755164_200025704644 [0,2,0,0,0,0|0,0,0]=2 12982 B13R1.577 COc1ccc(cc1F)CNCF 34a_100000737316_100015361967 [0,2,0,0,0,0|1,0,0]=3 12983 B13R1.577 COc1ccc(cc1F)COCF 34a_100000246395_100015361967 [0,2,0,0,0,0|1,0,0]=3 12984 B13R1.577 COc1ccc(cc1F)COCF 7a_100000246395_100015361967 [0,2,0,0,0,0|1,0,0]=3 12985 B13R1.577 COc1ccc(cc1F)CSCF 62a_100000189595_100015361967 [0,2,0,0,0,0|1,0,0]=3 12986 B13R1.577 COc1ccc(cc1F)CSCF 62a_100015361967_100000189595 [0,2,0,0,0,0|1,0,0]=3 12987 B13R1.577 COc1ccc(cc1F)NCC#N 2230a_100000740183_100011215382 [0,2,0,0,0,0|1,0,1]=4 12988 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [0,2,0,0,0,0|1,0,1]=4 12989 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [0,2,0,0,0,0|1,0,1]=4 12990 B13R1.577 COc1ccc(cc1F)NCCF 2230a_100000740183_100011217306 [0,2,0,0,0,0|1,0,0]=3 12991 B13R1.577 COc1ccc(cc1F)NCCF 34a_100000740183_100011217306 [0,2,0,0,0,0|1,0,0]=3 12992 B13R1.577 COc1ccc(cc1F)NCCO 2230a_100000740183_100000211926 [0,2,0,0,0,0|1,0,0]=3 12993 B13R1.577 COc1ccc(cc1F)NCCO 34a_100000740183_100000211926 [0,2,0,0,0,0|1,0,0]=3 12994 B13R1.577 COc1ccc(cc1F)NCSC 2230a_100000740183_100011218213 [0,2,0,0,0,0|1,0,0]=3 12995 B13R1.577 COc1ccc(cc1F)NCSC 34a_100000740183_100011218213 [0,2,0,0,0,0|1,0,0]=3 12996 B13R1.577 COc1ccc(cc1F)OCC#N 7a_100000746305_100011215382 [0,2,0,0,0,0|1,0,1]=4 12997 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [0,2,0,0,0,0|1,0,1]=4 12998 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [0,2,0,0,0,0|1,0,1]=4 12999 B13R1.577 COc1ccc(cc1F)OCCF 34a_100000746305_100011217306 [0,2,0,0,0,0|1,0,0]=3 13000 B13R1.577 COc1ccc(cc1F)OCCF 7a_100000746305_100011217306 [0,2,0,0,0,0|1,0,0]=3 13001 B13R1.577 COc1ccc(cc1F)OCCO 34a_100000746305_100000211926 [0,2,0,0,0,0|1,0,0]=3 13002 B13R1.577 COc1ccc(cc1F)OCCO 7a_100000746305_100000211926 [0,2,0,0,0,0|1,0,0]=3 13003 B13R1.577 COc1ccc(cc1F)OCSC 34a_100000746305_100011218213 [0,2,0,0,0,0|1,0,0]=3 13004 B13R1.577 COc1ccc(cc1F)SCC#N 62a_100000171752_100011215382 [0,2,0,0,0,0|1,0,1]=4 13005 B13R1.577 COc1ccc(cc1F)SCC#N 62a_100011215382_100000171752 [0,2,0,0,0,0|1,0,1]=4 13006 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [0,2,0,0,0,0|1,0,1]=4 13007 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [0,2,0,0,0,0|1,0,1]=4 13008 B13R1.577 COc1ccc(cc1F)SCCF 62a_100000171752_100011217306 [0,2,0,0,0,0|1,0,0]=3 13009 B13R1.577 COc1ccc(cc1F)SCCF 62a_100011217306_100000171752 [0,2,0,0,0,0|1,0,0]=3 13010 B13R1.577 COc1ccc(cc1F)SCCO 62a_100000171752_100000211926 [0,2,0,0,0,0|1,0,0]=3 13011 B13R1.577 COc1ccc(cc1F)SCCO 62a_100000211926_100000171752 [0,2,0,0,0,0|1,0,0]=3 13012 B13R1.577 COc1ccc(cc1F)SCSC 62a_100000171752_100011218213 [0,2,0,0,0,0|1,0,0]=3 13013 B13R1.577 COc1ccc(cc1F)SCSC 62a_100011218213_100000171752 [0,2,0,0,0,0|1,0,0]=3 13014 B13R1.577 COc1ccc(cc1I)COCF 34a_200000013966_100015361967 [0,2,0,0,0,0|1,0,0]=3 13015 B13R1.577 COc1ccc(cc1I)COCF 7a_200000013966_100015361967 [0,2,0,0,0,0|1,0,0]=3 13016 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [0,2,0,0,0,0|1,0,1]=4 13017 B13R1.577 COc1ccc(cc1I)NCCF 34a_100011356947_100011217306 [0,2,0,0,0,0|1,0,0]=3 13018 B13R1.577 COc1ccc(cc1I)NCCO 34a_100011356947_100000211926 [0,2,0,0,0,0|1,0,0]=3 13019 B13R1.577 COc1ccc(cc1I)NCSC 34a_100011356947_100011218213 [0,2,0,0,0,0|1,0,0]=3 13020 B13R1.577 COc1ccc(cc1I)OCC#N 7a_100010084122_100011215382 [0,2,0,0,0,0|1,0,1]=4 13021 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [0,2,0,0,0,0|1,0,1]=4 13022 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [0,2,0,0,0,0|1,0,1]=4 13023 B13R1.577 COc1ccc(cc1I)OCCF 34a_100010084122_100011217306 [0,2,0,0,0,0|1,0,0]=3 13024 B13R1.577 COc1ccc(cc1I)OCCF 7a_100010084122_100011217306 [0,2,0,0,0,0|1,0,0]=3 13025 B13R1.577 COc1ccc(cc1I)OCCO 34a_100010084122_100000211926 [0,2,0,0,0,0|1,0,0]=3 13026 B13R1.577 COc1ccc(cc1I)OCCO 7a_100010084122_100000211926 [0,2,0,0,0,0|1,0,0]=3 13027 B13R1.577 COc1ccc(cc1I)OCSC 34a_100010084122_100011218213 [0,2,0,0,0,0|1,0,0]=3 13028 B13R1.577 COc1ccc(cc1N)COCF 34a_100011269841_100015361967 [0,2,0,0,0,0|1,0,0]=3 13029 B13R1.577 COc1ccc(cc1N)SCC#N 62a_100011215382_100011249504 [0,2,0,0,0,0|1,0,1]=4 13030 B13R1.577 COc1ccc(cc1N)SCC#N 62a_100011249504_100011215382 [0,2,0,0,0,0|1,0,1]=4 13031 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [0,2,0,0,0,0|1,0,1]=4 13032 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [0,2,0,0,0,0|1,0,1]=4 13033 B13R1.577 COc1ccc(cc1N)SCCF 62a_100011217306_100011249504 [0,2,0,0,0,0|1,0,0]=3 13034 B13R1.577 COc1ccc(cc1N)SCCF 62a_100011249504_100011217306 [0,2,0,0,0,0|1,0,0]=3 13035 B13R1.577 COc1ccc(cc1N)SCCO 62a_100000211926_100011249504 [0,2,0,0,0,0|1,0,0]=3 13036 B13R1.577 COc1ccc(cc1N)SCCO 62a_100011249504_100000211926 [0,2,0,0,0,0|1,0,0]=3 13037 B13R1.577 COc1ccc(cc1N)SCSC 62a_100011218213_100011249504 [0,2,0,0,0,0|1,0,0]=3 13038 B13R1.577 COc1ccc(cc1N)SCSC 62a_100011249504_100011218213 [0,2,0,0,0,0|1,0,0]=3 13039 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [0,2,0,0,0,0|0,0,0]=2 13040 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [0,2,0,0,0,0|0,0,0]=2 13041 B13R1.577 COc1ccc(cc1O)CNCF 34a_100000740000_100015361967 [0,2,0,0,0,0|1,0,0]=3 13042 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [0,2,0,0,0,0|1,0,1]=4 13043 B13R1.577 COc1ccc(cc1O)NCCF 34a_100000211920_100011217306 [0,2,0,0,0,0|1,0,0]=3 13044 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [0,2,0,0,0,0|1,0,0]=3 13045 B13R1.577 COc1ccc(cc1O)NCSC 34a_100000211920_100011218213 [0,2,0,0,0,0|1,0,0]=3 13046 B13R1.577 COc1ccc(cc1O)SCC#N 62a_100011215382_100009816560 [0,2,0,0,0,0|1,0,1]=4 13047 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [0,2,0,0,0,0|1,0,1]=4 13048 B13R1.577 COc1ccc(cc1O)SCCF 62a_100011217306_100009816560 [0,2,0,0,0,0|1,0,0]=3 13049 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [0,2,0,0,0,0|1,0,0]=3 13050 B13R1.577 COc1ccc(cc1O)SCSC 62a_100011218213_100009816560 [0,2,0,0,0,0|1,0,0]=3 13051 B13R1.577 COc1ccc(nc1Br)COCF 34a_100010205416_100015361967 [0,2,0,0,0,0|2,0,0]=4 13052 B13R1.577 COc1ccc(nc1Br)COCF 7a_100010205416_100015361967 [0,2,0,0,0,0|2,0,0]=4 13053 B13R1.577 COc1ccc(nc1Br)SCCF 62a_100010214827_100011217306 [0,2,0,0,0,0|2,0,0]=4 13054 B13R1.577 COc1ccc(nc1Br)SCCF 62a_100011217306_100010214827 [0,2,0,0,0,0|2,0,0]=4 13055 B13R1.577 COc1ccc(nc1Br)SCCO 62a_100000211926_100010214827 [0,2,0,0,0,0|2,0,0]=4 13056 B13R1.577 COc1ccc(nc1Br)SCCO 62a_100010214827_100000211926 [0,2,0,0,0,0|2,0,0]=4 13057 B13R1.577 COc1ccc(nc1Br)SCSC 62a_100010214827_100011218213 [0,2,0,0,0,0|2,0,0]=4 13058 B13R1.577 COc1ccc(nc1Br)SCSC 62a_100011218213_100010214827 [0,2,0,0,0,0|2,0,0]=4 13059 B13R1.577 COc1ccc(nc1C)SCCF 62a_100010244750_100011217306 [0,2,0,0,0,0|2,0,0]=4 13060 B13R1.577 COc1ccc(nc1C)SCCF 62a_100011217306_100010244750 [0,2,0,0,0,0|2,0,0]=4 13061 B13R1.577 COc1ccc(nc1C)SCCO 62a_100000211926_100010244750 [0,2,0,0,0,0|2,0,0]=4 13062 B13R1.577 COc1ccc(nc1C)SCCO 62a_100010244750_100000211926 [0,2,0,0,0,0|2,0,0]=4 13063 B13R1.577 COc1ccc(nc1C)SCSC 62a_100010244750_100011218213 [0,2,0,0,0,0|2,0,0]=4 13064 B13R1.577 COc1ccc(nc1C)SCSC 62a_100011218213_100010244750 [0,2,0,0,0,0|2,0,0]=4 13065 B13R1.577 COc1ccc(nc1Cl)COCF 34a_100009842956_100015361967 [0,2,0,0,0,0|2,0,0]=4 13066 B13R1.577 COc1ccc(nc1Cl)COCF 7a_100009842956_100015361967 [0,2,0,0,0,0|2,0,0]=4 13067 B13R1.577 COc1ccc(nc1Cl)SCCF 62a_100011217306_100010233546 [0,2,0,0,0,0|2,0,0]=4 13068 B13R1.577 COc1ccc(nc1Cl)SCCO 62a_100000211926_100010233546 [0,2,0,0,0,0|2,0,0]=4 13069 B13R1.577 COc1ccc(nc1Cl)SCSC 62a_100011218213_100010233546 [0,2,0,0,0,0|2,0,0]=4 13070 B13R1.577 COc1ccc(nc1F)NCCO 27a_100000210304_100010138636 [0,2,0,0,0,0|2,0,0]=4 13071 B13R1.577 COc1ccc(nc1F)SCCF 62a_100010138636_100011217306 [0,2,0,0,0,0|2,0,0]=4 13072 B13R1.577 COc1ccc(nc1F)SCCF 62a_100011217306_100010138636 [0,2,0,0,0,0|2,0,0]=4 13073 B13R1.577 COc1ccc(nc1F)SCCO 62a_100000211926_100010138636 [0,2,0,0,0,0|2,0,0]=4 13074 B13R1.577 COc1ccc(nc1F)SCCO 62a_100010138636_100000211926 [0,2,0,0,0,0|2,0,0]=4 13075 B13R1.577 COc1ccc(nc1F)SCSC 62a_100010138636_100011218213 [0,2,0,0,0,0|2,0,0]=4 13076 B13R1.577 COc1ccc(nc1F)SCSC 62a_100011218213_100010138636 [0,2,0,0,0,0|2,0,0]=4 13077 B13R1.577 COc1ccc(nc1N)SCCF 62a_100010192976_100011217306 [0,2,0,0,0,0|2,0,0]=4 13078 B13R1.577 COc1ccc(nc1N)SCCO 62a_100010192976_100000211926 [0,2,0,0,0,0|2,0,0]=4 13079 B13R1.577 COc1ccc(nc1N)SCSC 62a_100010192976_100011218213 [0,2,0,0,0,0|2,0,0]=4 13080 B13R1.577 COc1cnc(cc1N)SCCF 62a_100010896307_100011217306 [0,2,0,0,0,0|2,0,0]=4 13081 B13R1.577 COc1cnc(cc1N)SCCF 62a_100011217306_100010896307 [0,2,0,0,0,0|2,0,0]=4 13082 B13R1.577 COc1cnc(cc1N)SCCO 62a_100000211926_100010896307 [0,2,0,0,0,0|2,0,0]=4 13083 B13R1.577 COc1cnc(cc1N)SCCO 62a_100010896307_100000211926 [0,2,0,0,0,0|2,0,0]=4 13084 B13R1.577 COc1cnc(cc1N)SCSC 62a_100010896307_100011218213 [0,2,0,0,0,0|2,0,0]=4 13085 B13R1.577 COc1cnc(cc1N)SCSC 62a_100011218213_100010896307 [0,2,0,0,0,0|2,0,0]=4 13086 B13R1.577 COc1cnc(cc1O)SCCF 62a_100011217306_100010264082 [0,2,0,0,0,0|2,0,0]=4 13087 B13R1.577 COc1cnc(cc1O)SCCO 62a_100000211926_100010264082 [0,2,0,0,0,0|2,0,0]=4 13088 B13R1.577 COc1cnc(cc1O)SCSC 62a_100011218213_100010264082 [0,2,0,0,0,0|2,0,0]=4 13089 B13R1.577 COc1coc(cc1=O)CSCF 62a_100015361967_100000081511 [0,2,0,0,0,0|2,0,0]=4 13090 B13R1.577 COc1ncc(cc1Br)SCCF 62a_100011217306_200010988584 [0,2,0,0,0,0|2,0,0]=4 13091 B13R1.577 COc1ncc(cc1Br)SCCF 62a_200010988584_100011217306 [0,2,0,0,0,0|2,0,0]=4 13092 B13R1.577 COc1ncc(cc1Br)SCCO 62a_100000211926_200010988584 [0,2,0,0,0,0|2,0,0]=4 13093 B13R1.577 COc1ncc(cc1Br)SCCO 62a_200010988584_100000211926 [0,2,0,0,0,0|2,0,0]=4 13094 B13R1.577 COc1ncc(cc1Br)SCSC 62a_100011218213_200010988584 [0,2,0,0,0,0|2,0,0]=4 13095 B13R1.577 COc1ncc(cc1Br)SCSC 62a_200010988584_100011218213 [0,2,0,0,0,0|2,0,0]=4 13096 B13R1.577 COc1ncc(cc1C)SCCF 62a_100011217306_100011290809 [0,2,0,0,0,0|2,0,0]=4 13097 B13R1.577 COc1ncc(cc1C)SCCF 62a_100011290809_100011217306 [0,2,0,0,0,0|2,0,0]=4 13098 B13R1.577 COc1ncc(cc1C)SCCO 62a_100000211926_100011290809 [0,2,0,0,0,0|2,0,0]=4 13099 B13R1.577 COc1ncc(cc1C)SCCO 62a_100011290809_100000211926 [0,2,0,0,0,0|2,0,0]=4 13100 B13R1.577 COc1ncc(cc1C)SCSC 62a_100011218213_100011290809 [0,2,0,0,0,0|2,0,0]=4 13101 B13R1.577 COc1ncc(cc1C)SCSC 62a_100011290809_100011218213 [0,2,0,0,0,0|2,0,0]=4 13102 B13R1.577 COc1ncc(cc1Cl)COCF 34a_200011438738_100015361967 [0,2,0,0,0,0|2,0,0]=4 13103 B13R1.577 COc1ncc(cc1F)SCCF 62a_100011217306_100011880707 [0,2,0,0,0,0|2,0,0]=4 13104 B13R1.577 COc1ncc(cc1F)SCCF 62a_100011880707_100011217306 [0,2,0,0,0,0|2,0,0]=4 13105 B13R1.577 COc1ncc(cc1F)SCCO 62a_100000211926_100011880707 [0,2,0,0,0,0|2,0,0]=4 13106 B13R1.577 COc1ncc(cc1F)SCCO 62a_100011880707_100000211926 [0,2,0,0,0,0|2,0,0]=4 13107 B13R1.577 COc1ncc(cc1F)SCSC 62a_100011218213_100011880707 [0,2,0,0,0,0|2,0,0]=4 13108 B13R1.577 COc1ncc(cc1F)SCSC 62a_100011880707_100011218213 [0,2,0,0,0,0|2,0,0]=4 13109 B13R1.577 COc1ncc(cc1N)SCCF 62a_100000748608_100011217306 [0,2,0,0,0,0|2,0,0]=4 13110 B13R1.577 COc1ncc(cc1N)SCCF 62a_100011217306_100000748608 [0,2,0,0,0,0|2,0,0]=4 13111 B13R1.577 COc1ncc(cc1N)SCCO 62a_100000211926_100000748608 [0,2,0,0,0,0|2,0,0]=4 13112 B13R1.577 COc1ncc(cc1N)SCCO 62a_100000748608_100000211926 [0,2,0,0,0,0|2,0,0]=4 13113 B13R1.577 COc1ncc(cc1N)SCSC 62a_100000748608_100011218213 [0,2,0,0,0,0|2,0,0]=4 13114 B13R1.577 COc1ncc(cc1N)SCSC 62a_100011218213_100000748608 [0,2,0,0,0,0|2,0,0]=4 13115 B13R1.577 COc1ncc(cc1O)SCCF 62a_100011217306_100010135713 [0,2,0,0,0,0|2,0,0]=4 13116 B13R1.577 COc1ncc(cc1O)SCCO 62a_100000211926_100010135713 [0,2,0,0,0,0|2,0,0]=4 13117 B13R1.577 COc1ncc(cc1O)SCSC 62a_100011218213_100010135713 [0,2,0,0,0,0|2,0,0]=4 13118 B13R1.577 CSCNc1ccc(c(c1)F)SC 2230a_100000762756_100011218213 [0,2,0,0,0,0|1,1,0]=4 13119 B13R1.577 CSCNc1ccc(c(c1)F)SC 34a_100000762756_100011218213 [0,2,0,0,0,0|1,1,0]=4 13120 B13R1.577 CSCOc1ccc(c(c1)C)SC 34a_100000030144_100011218213 [0,2,0,0,0,0|1,1,0]=4 13121 B13R1.577 CSCSc1ccc(c(c1)Cl)SC 62a_100011218213_206447510565 [0,2,0,0,0,0|1,1,0]=4 13122 B13R1.577 CSCSc1ccc(c(c1)Cl)SC 62a_206447510565_100011218213 [0,2,0,0,0,0|1,1,0]=4 13123 B13R1.577 CSCSc1ccc(c(c1)F)SC 62a_100010161220_100011218213 [0,2,0,0,0,0|1,1,0]=4 13124 B13R1.577 CSCSc1ccc(c(c1)F)SC 62a_100011218213_100010161220 [0,2,0,0,0,0|1,1,0]=4 13125 B13R1.577 CSc1ccc(cc1C)OCCF 34a_100000030144_100011217306 [0,2,0,0,0,0|1,1,0]=4 13126 B13R1.577 CSc1ccc(cc1C)OCCO 34a_100000030144_100000211926 [0,2,0,0,0,0|1,1,0]=4 13127 B13R1.577 CSc1ccc(cc1Cl)SCCF 62a_100011217306_206447510565 [0,2,0,0,0,0|1,1,0]=4 13128 B13R1.577 CSc1ccc(cc1Cl)SCCF 62a_206447510565_100011217306 [0,2,0,0,0,0|1,1,0]=4 13129 B13R1.577 CSc1ccc(cc1Cl)SCCO 62a_100000211926_206447510565 [0,2,0,0,0,0|1,1,0]=4 13130 B13R1.577 CSc1ccc(cc1Cl)SCCO 62a_206447510565_100000211926 [0,2,0,0,0,0|1,1,0]=4 13131 B13R1.577 CSc1ccc(cc1F)NCCF 2230a_100000762756_100011217306 [0,2,0,0,0,0|1,1,0]=4 13132 B13R1.577 CSc1ccc(cc1F)NCCF 34a_100000762756_100011217306 [0,2,0,0,0,0|1,1,0]=4 13133 B13R1.577 CSc1ccc(cc1F)NCCO 2230a_100000762756_100000211926 [0,2,0,0,0,0|1,1,0]=4 13134 B13R1.577 CSc1ccc(cc1F)NCCO 34a_100000762756_100000211926 [0,2,0,0,0,0|1,1,0]=4 13135 B13R1.577 CSc1ccc(cc1F)SCCF 62a_100010161220_100011217306 [0,2,0,0,0,0|1,1,0]=4 13136 B13R1.577 CSc1ccc(cc1F)SCCF 62a_100011217306_100010161220 [0,2,0,0,0,0|1,1,0]=4 13137 B13R1.577 CSc1ccc(cc1F)SCCO 62a_100000211926_100010161220 [0,2,0,0,0,0|1,1,0]=4 13138 B13R1.577 CSc1ccc(cc1F)SCCO 62a_100010161220_100000211926 [0,2,0,0,0,0|1,1,0]=4 13139 B13R1.140 CC(C)(C)c1ccc(cc1)CN[13CH3] 2230a_100000753511_200025704644 [0,2,0,0,0,0|2,0,0]=4 13140 B13R1.140 CC(C)(C)c1ccc(cc1)CN[13CH3] 34a_100000753511_200025704644 [0,2,0,0,0,0|2,0,0]=4 13141 B13R1.140 CC(C)(C)c1ccc(cc1)CO[13CH3] 34a_100000211988_200025704644 [0,2,0,0,0,0|2,0,0]=4 13142 B13R1.140 CC(C)(C)c1ccc(cc1)CO[13CH3] 7a_100000211988_200025704644 [0,2,0,0,0,0|2,0,0]=4 13143 B13R1.140 CC(C)(C)c1ccc(cc1)CS[13CH3] 62a_100000212263_200025704644 [0,2,0,0,0,0|2,0,0]=4 13144 B13R1.140 CC(C)(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000211477 [0,2,0,0,0,0|2,0,0]=4 13145 B13R1.140 CCNc1ccc(cc1)C(C)(C)C 2230a_100000210346_100000210202 [0,2,0,0,0,0|2,0,0]=4 13146 B13R1.140 CCNc1ccc(cc1)C(C)(C)C 34a_100000210346_100000210202 [0,2,0,0,0,0|2,0,0]=4 13147 B13R1.140 CCNc1ccc(cc1)C(C)(C)C 7a_100000210346_100000210202 [0,2,0,0,0,0|2,0,0]=4 13148 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_100000210202 [0,2,0,0,0,0|1,1,0]=4 13149 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_100000210202 [0,2,0,0,0,0|1,1,0]=4 13150 B13R1.140 CCNc1ccc(cc1)[Si](C)(C)C 7a_100009954384_100000210202 [0,2,0,0,0,0|2,0,0]=4 13151 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 34a_100000185729_100000210202 [0,2,0,0,0,0|2,0,0]=4 13152 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 7a_100000185729_100000210202 [0,2,0,0,0,0|2,0,0]=4 13153 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 34a_100000695648_100000210202 [0,2,0,0,0,0|2,0,0]=4 13154 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 7a_100000695648_100000210202 [0,2,0,0,0,0|2,0,0]=4 13155 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000210202 [0,2,0,0,0,0|1,1,0]=4 13156 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000210202 [0,2,0,0,0,0|1,1,0]=4 13157 B13R1.140 CCSc1ccc(cc1)C(C)(C)C 62a_100000210202_100011215385 [0,2,0,0,0,0|2,0,0]=4 13158 B13R1.140 CCSc1ccc(cc1)C(C)(C)C 62a_100011215385_100000210202 [0,2,0,0,0,0|2,0,0]=4 13159 B13R1.140 CCSc1ccc(cc1)C(C)(C)N 62a_100000210202_100000739617 [0,2,0,0,0,0|2,0,0]=4 13160 B13R1.140 CCSc1ccc(cc1)C(C)(C)N 62a_100000739617_100000210202 [0,2,0,0,0,0|2,0,0]=4 13161 B13R1.140 CCSc1ccc(cc1)C(C)(C)O 62a_100000210202_100000753367 [0,2,0,0,0,0|2,0,0]=4 13162 B13R1.140 CCSc1ccc(cc1)C(C)(C)O 62a_100000753367_100000210202 [0,2,0,0,0,0|2,0,0]=4 13163 B13R1.140 CCSc1ccc(cc1)C(C)(F)F 62a_100000210202_100009817129 [0,2,0,0,0,0|2,0,0]=4 13164 B13R1.140 CCSc1ccc(cc1)C(C)(F)F 62a_100009817129_100000210202 [0,2,0,0,0,0|2,0,0]=4 13165 B13R1.140 CCSc1ccc(cc1)S(=O)(=O)C 62a_100000210202_100000765142 [0,2,0,0,0,0|1,1,0]=4 13166 B13R1.140 CCSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_100000210202 [0,2,0,0,0,0|1,1,0]=4 13167 B13R1.140 CCSc1ccc(cc1)[Si](C)(C)C 62a_100000210202_100009813420 [0,2,0,0,0,0|2,0,0]=4 13168 B13R1.140 CCSc1ccc(cc1)[Si](C)(C)C 62a_100009813420_100000210202 [0,2,0,0,0,0|2,0,0]=4 13169 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 207a_100102657272_100000188519 [0,2,0,0,0,0|2,0,0]=4 13170 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 2230a_100000753511_200000210301 [0,2,0,0,0,0|2,0,0]=4 13171 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 2230a_106832991635_100000212263 [0,2,0,0,0,0|2,0,0]=4 13172 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 26a_100102657272_100000185729 [0,2,0,0,0,0|2,0,0]=4 13173 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 270004a_106832991635_100000188519 [0,2,0,0,0,0|2,0,0]=4 13174 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 34a_100000753511_200000210301 [0,2,0,0,0,0|2,0,0]=4 13175 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 34a_100102657272_100000212263 [0,2,0,0,0,0|2,0,0]=4 13176 B13R1.140 CNCc1ccc(cc1)C(C)(C)C 7a_106832991635_100000212263 [0,2,0,0,0,0|2,0,0]=4 13177 B13R1.140 CNCc1ccc(cc1)C(C)(C)O 26a_100102657272_100000695648 [0,2,0,0,0,0|2,0,0]=4 13178 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 207a_100102657272_100000743486 [0,2,0,0,0,0|1,1,0]=4 13179 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 2230a_106832991635_100000717844 [0,2,0,0,0,0|1,1,0]=4 13180 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 26a_100102657272_100000230201 [0,2,0,0,0,0|1,1,0]=4 13181 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 270004a_106832991635_100000743486 [0,2,0,0,0,0|1,1,0]=4 13182 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 34a_100000745609_200000210301 [0,2,0,0,0,0|1,1,0]=4 13183 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 34a_100102657272_100000717844 [0,2,0,0,0,0|1,1,0]=4 13184 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 7a_106832991635_100000717844 [0,2,0,0,0,0|1,1,0]=4 13185 B13R1.140 CNCc1ccc(cc1)[N+](C)(C)C 207a_100102657272_200028087205 [0,2,0,0,0,0|2,0,0]=4 13186 B13R1.140 CNCc1ccc(cc1)[N+](C)(C)C 270004a_106832991635_200028087205 [0,2,0,0,0,0|2,0,0]=4 13187 B13R1.140 CNCc1ccc(cc1)[Si](C)(C)C 207a_100102657272_100000087359 [0,2,0,0,0,0|2,0,0]=4 13188 B13R1.140 CNCc1ccc(cc1)[Si](C)(C)C 270004a_106832991635_100000087359 [0,2,0,0,0,0|2,0,0]=4 13189 B13R1.140 COCc1ccc(cc1)C(C)(C)C 34a_100000211988_200000210301 [0,2,0,0,0,0|2,0,0]=4 13190 B13R1.140 COCc1ccc(cc1)C(C)(C)C 34a_100138415774_100000212263 [0,2,0,0,0,0|2,0,0]=4 13191 B13R1.140 COCc1ccc(cc1)C(C)(C)C 7a_100000211988_200000210301 [0,2,0,0,0,0|2,0,0]=4 13192 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100000728255_200000210301 [0,2,0,0,0,0|1,1,0]=4 13193 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100138415774_100000717844 [0,2,0,0,0,0|1,1,0]=4 13194 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 7a_100000728255_200000210301 [0,2,0,0,0,0|1,1,0]=4 13195 B13R1.140 CS(=O)(=O)c1ccc(cc1)CN[13CH3] 34a_100000745609_200025704644 [0,2,0,0,0,0|1,1,0]=4 13196 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 34a_100000728255_200025704644 [0,2,0,0,0,0|1,1,0]=4 13197 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 7a_100000728255_200025704644 [0,2,0,0,0,0|1,1,0]=4 13198 B13R1.140 CS(=O)(=O)c1ccc(cc1)CS[13CH3] 62a_100000717844_200025704644 [0,2,0,0,0,0|1,1,0]=4 13199 B13R1.140 CS(=O)(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000717844 [0,2,0,0,0,0|1,1,0]=4 13200 B13R1.140 CSCc1ccc(cc1)C(C)(C)C 62a_100000212263_200000210301 [0,2,0,0,0,0|2,0,0]=4 13201 B13R1.140 CSCc1ccc(cc1)C(C)(C)C 62a_200000210301_100000211477 [0,2,0,0,0,0|2,0,0]=4 13202 B13R1.140 CSCc1ccc(cc1)S(=O)(=O)C 62a_100000717844_200000210301 [0,2,0,0,0,0|1,1,0]=4 13203 B13R1.140 CSCc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000717844 [0,2,0,0,0,0|1,1,0]=4 13204 B13R1.144 C=C(C)c1ccc(c(c1)C)OCC 271570a_100000694244_100011308936 [0,2,0,0,0,0|2,0,0]=4 13205 B13R1.144 C=C(C)c1ccc(c(c1)F)CCO 271570a_100000694244_100011962869 [0,2,0,0,0,0|2,0,0]=4 13206 B13R1.144 C=C(C)c1ccc(c(c1)F)OCC 271570a_100000694244_200000171753 [0,2,0,0,0,0|2,0,0]=4 13207 B13R1.144 C=C(C)c1ccc(c(c1)N)COC 271570a_100000694244_100013084866 [0,2,0,0,0,0|2,0,0]=4 13208 B13R1.144 C=C(C)c1ccc(c(c1)N)OCC 271570a_100000694244_100000751366 [0,2,0,0,0,0|2,0,0]=4 13209 B13R1.144 CC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_100010884425_200025704644 [0,2,0,0,0,0|2,0,0]=4 13210 B13R1.144 CCCc1ccc(cc1Br)C(=O)C 1458a_200010235943_200000210301 [0,2,0,0,0,0|1,0,0]=3 13211 B13R1.144 CCCc1ccc(cc1Br)C(=O)[13CH3] 1458a_200010235943_200025704644 [0,2,0,0,0,0|1,0,0]=3 13212 B13R1.144 CCNc1ccc(cc1Br)C(C)C 2230a_100011218581_100000210202 [0,2,0,0,0,0|2,0,0]=4 13213 B13R1.144 CCNc1ccc(cc1Br)C(C)C 34a_100011218581_100000210202 [0,2,0,0,0,0|2,0,0]=4 13214 B13R1.144 CCNc1ccc(cc1Br)C(C)C 7a_100011218581_100000210202 [0,2,0,0,0,0|2,0,0]=4 13215 B13R1.144 CCNc1ccc(cc1Br)N(C)C 34a_200013039233_100000210202 [0,2,0,0,0,0|2,0,0]=4 13216 B13R1.144 CCNc1ccc(cc1C)N(C)C 34a_100000246174_100000210202 [0,2,0,0,0,0|2,0,0]=4 13217 B13R1.144 CCNc1ccc(cc1I)C(C)C 34a_100012355998_100000210202 [0,2,0,0,0,0|2,0,0]=4 13218 B13R1.144 CCNc1ccc(cc1I)C(C)C 7a_100012355998_100000210202 [0,2,0,0,0,0|2,0,0]=4 13219 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [0,2,0,0,0,0|2,0,0]=4 13220 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [0,2,0,0,0,0|2,0,0]=4 13221 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [0,2,0,0,0,0|2,0,0]=4 13222 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [0,2,0,0,0,0|2,0,0]=4 13223 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [0,2,0,0,0,0|2,0,0]=4 13224 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [0,2,0,0,0,0|2,0,0]=4 13225 B13R1.144 CCOc1ccc(cc1C)C(C)C 34a_200012180908_100000210202 [0,2,0,0,0,0|2,0,0]=4 13226 B13R1.144 CCOc1ccc(cc1C)C(C)C 7a_200012180908_100000210202 [0,2,0,0,0,0|2,0,0]=4 13227 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [0,2,0,0,0,0|2,0,0]=4 13228 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [0,2,0,0,0,0|2,0,0]=4 13229 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [0,2,0,0,0,0|2,0,0]=4 13230 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [0,2,0,0,0,0|2,0,0]=4 13231 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 34a_100012182850_100000210202 [0,2,0,0,0,0|2,0,0]=4 13232 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 7a_100012182850_100000210202 [0,2,0,0,0,0|2,0,0]=4 13233 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [0,2,0,0,0,0|2,0,0]=4 13234 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [0,2,0,0,0,0|2,0,0]=4 13235 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [0,2,0,0,0,0|2,0,0]=4 13236 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [0,2,0,0,0,0|2,0,0]=4 13237 B13R1.144 CCOc1ccc(cc1N)C(C)C 34a_200000187366_100000210202 [0,2,0,0,0,0|2,0,0]=4 13238 B13R1.144 CCOc1ccc(cc1N)C(C)C 7a_200000187366_100000210202 [0,2,0,0,0,0|2,0,0]=4 13239 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100000210202_100010146554 [0,2,0,0,0,0|2,0,0]=4 13240 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210202 [0,2,0,0,0,0|2,0,0]=4 13241 B13R1.144 CCSc1ccc(cc1Br)C(C)C 62a_100000210202_200010212211 [0,2,0,0,0,0|2,0,0]=4 13242 B13R1.144 CCSc1ccc(cc1Br)C(C)C 62a_200010212211_100000210202 [0,2,0,0,0,0|2,0,0]=4 13243 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000210202_100000697869 [0,2,0,0,0,0|2,0,0]=4 13244 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210202 [0,2,0,0,0,0|2,0,0]=4 13245 B13R1.144 CCSc1ccc(cc1C)N(C)C 62a_100000210202_100011934168 [0,2,0,0,0,0|2,0,0]=4 13246 B13R1.144 CCSc1ccc(cc1C)N(C)C 62a_100011934168_100000210202 [0,2,0,0,0,0|2,0,0]=4 13247 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000210202_100000690002 [0,2,0,0,0,0|2,0,0]=4 13248 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210202 [0,2,0,0,0,0|2,0,0]=4 13249 B13R1.144 CCSc1ccc(cc1F)[C@H](C)N 62a_100000210202_100134618348 [0,2,0,0,0,0|2,0,0]=4 13250 B13R1.144 CCSc1ccc(cc1F)[C@H](C)N 62a_100134618348_100000210202 [0,2,0,0,0,0|2,0,0]=4 13251 B13R1.144 CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210202 [0,2,0,0,0,0|2,0,0]=4 13252 B13R1.144 CN(C)c1ccc(c(c1)Cl)CO[13CH3] 34a_200011997356_200025704644 [0,2,0,0,0,0|2,0,0]=4 13253 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 2230a_106832991635_100010884425 [0,2,0,0,0,0|2,0,0]=4 13254 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 26a_100102657272_100011772453 [0,2,0,0,0,0|2,0,0]=4 13255 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 34a_100102657272_100010884425 [0,2,0,0,0,0|2,0,0]=4 13256 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 7a_106832991635_100010884425 [0,2,0,0,0,0|2,0,0]=4 13257 B13R1.144 CNCc1ccc(cc1Br)C(C)C 207a_100102657272_100010158967 [0,2,0,0,0,0|2,0,0]=4 13258 B13R1.144 CNCc1ccc(cc1Br)C(C)C 270004a_106832991635_100010158967 [0,2,0,0,0,0|2,0,0]=4 13259 B13R1.144 CNCc1ccc(cc1C)C(C)C 26a_100102657272_200012180908 [0,2,0,0,0,0|2,0,0]=4 13260 B13R1.144 CNCc1ccc(cc1C)N(C)C 207a_100102657272_100011615803 [0,2,0,0,0,0|2,0,0]=4 13261 B13R1.144 CNCc1ccc(cc1C)N(C)C 270004a_106832991635_100011615803 [0,2,0,0,0,0|2,0,0]=4 13262 B13R1.144 CNCc1ccc(cc1Cl)C(=O)C 26a_100102657272_100000188625 [0,2,0,0,0,0|2,0,0]=4 13263 B13R1.144 CNCc1ccc(cc1Cl)C(C)C 26a_100102657272_100012182850 [0,2,0,0,0,0|2,0,0]=4 13264 B13R1.144 CNCc1ccc(cc1Cl)N(C)C 207a_100102657272_100011219522 [0,2,0,0,0,0|2,0,0]=4 13265 B13R1.144 CNCc1ccc(cc1Cl)N(C)C 270004a_106832991635_100011219522 [0,2,0,0,0,0|2,0,0]=4 13266 B13R1.144 CNCc1ccc(cc1F)C(=O)C 26a_100102657272_100000751691 [0,2,0,0,0,0|2,0,0]=4 13267 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|2,0,0]=4 13268 B13R1.144 COCc1ccc(cc1Cl)N(C)C 34a_200011997356_200000210301 [0,2,0,0,0,0|2,0,0]=4 13269 B13R1.144 CSCc1ccc(cc1Br)C(=O)C 62a_100010884425_200000210301 [0,2,0,0,0,0|2,0,0]=4 13270 B13R1.385 C=C(C)c1ccc(cc1C)NCC 271570a_100000694244_100015183089 [0,2,0,0,0,0|2,0,0]=4 13271 B13R1.385 C=C(C)c1ccc(cc1C)OCC 271570a_100000694244_100012344538 [0,2,0,0,0,0|2,0,0]=4 13272 B13R1.385 C=C(C)c1ccc(cc1F)CCC 271570a_100000694244_200010686677 [0,2,0,0,0,0|1,0,0]=3 13273 B13R1.385 C=C(C)c1ccc(cc1F)CCO 271570a_100000694244_100012921202 [0,2,0,0,0,0|2,0,0]=4 13274 B13R1.385 C=C(C)c1ccc(cc1F)COC 271570a_100000694244_100010177442 [0,2,0,0,0,0|2,0,0]=4 13275 B13R1.385 C=C(C)c1ccc(cc1F)OCC 271570a_100000694244_100000692347 [0,2,0,0,0,0|2,0,0]=4 13276 B13R1.385 C=C(C)c1ccc(cc1N)COC 271570a_100000694244_200013033220 [0,2,0,0,0,0|2,0,0]=4 13277 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 2230a_100000005830_100000210202 [0,2,0,0,0,0|2,0,0]=4 13278 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 34a_100000005830_100000210202 [0,2,0,0,0,0|2,0,0]=4 13279 B13R1.385 CCNc1ccc(c(c1)C)C(C)C 7a_100000005830_100000210202 [0,2,0,0,0,0|2,0,0]=4 13280 B13R1.385 CCNc1ccc(c(c1)C)N(C)C 34a_100000738307_100000210202 [0,2,0,0,0,0|2,0,0]=4 13281 B13R1.385 CCNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_100000210202 [0,2,0,0,0,0|2,0,0]=4 13282 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C 27a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 13283 B13R1.385 CCNc1ccc(c(c1)F)N(C)C 34a_100011248830_100000210202 [0,2,0,0,0,0|2,0,0]=4 13284 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210202 [0,2,0,0,0,0|2,0,0]=4 13285 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210202 [0,2,0,0,0,0|2,0,0]=4 13286 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 1458a_200012183785_200000210301 [0,2,0,0,0,0|2,0,0]=4 13287 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210202 [0,2,0,0,0,0|2,0,0]=4 13288 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210202 [0,2,0,0,0,0|2,0,0]=4 13289 B13R1.385 CCOc1ccc(c(c1)C)C(=O)[13CH3] 1458a_200012183785_200025704644 [0,2,0,0,0,0|2,0,0]=4 13290 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 34a_100000210824_100000210202 [0,2,0,0,0,0|2,0,0]=4 13291 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 7a_100000210824_100000210202 [0,2,0,0,0,0|2,0,0]=4 13292 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210202 [0,2,0,0,0,0|2,0,0]=4 13293 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210202 [0,2,0,0,0,0|2,0,0]=4 13294 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 1458a_100012184274_200000210301 [0,2,0,0,0,0|2,0,0]=4 13295 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210202 [0,2,0,0,0,0|2,0,0]=4 13296 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210202 [0,2,0,0,0,0|2,0,0]=4 13297 B13R1.385 CCOc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012184274_200025704644 [0,2,0,0,0,0|2,0,0]=4 13298 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C 1458a_200000049073_200000210301 [0,2,0,0,0,0|2,0,0]=4 13299 B13R1.385 CCOc1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000049073_200025704644 [0,2,0,0,0,0|2,0,0]=4 13300 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100000210202_100012360112 [0,2,0,0,0,0|2,0,0]=4 13301 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100012360112_100000210202 [0,2,0,0,0,0|2,0,0]=4 13302 B13R1.385 CCSc1ccc(c(c1)F)C(=O)C 62a_100000690205_100000210202 [0,2,0,0,0,0|2,0,0]=4 13303 B13R1.385 CCSc1ccc(c(c1)F)C(C)N 62a_100000210202_100000730447 [0,2,0,0,0,0|2,0,0]=4 13304 B13R1.385 CCSc1ccc(c(c1)F)C(C)N 62a_100000730447_100000210202 [0,2,0,0,0,0|2,0,0]=4 13305 B13R1.385 CCSc1ccc(c(c1)N)C(=O)C 62a_100011590516_100000210202 [0,2,0,0,0,0|2,0,0]=4 13306 B13R1.385 CCSc1ccc(c(c1)N)N(C)C 62a_100000210202_100000737018 [0,2,0,0,0,0|2,0,0]=4 13307 B13R1.385 CCSc1ccc(c(c1)N)N(C)C 62a_100000737018_100000210202 [0,2,0,0,0,0|2,0,0]=4 13308 B13R1.385 CN(C)c1ccc(cc1F)CN[13CH3] 34a_106744497425_200025704644 [0,2,0,0,0,0|2,0,0]=4 13309 B13R1.385 CNCc1ccc(c(c1)Br)C(=O)C 26a_100102657272_100012340537 [0,2,0,0,0,0|2,0,0]=4 13310 B13R1.385 CNCc1ccc(c(c1)Br)N(C)C 207a_100102657272_200011298039 [0,2,0,0,0,0|2,0,0]=4 13311 B13R1.385 CNCc1ccc(c(c1)Br)N(C)C 270004a_106832991635_200011298039 [0,2,0,0,0,0|2,0,0]=4 13312 B13R1.385 CNCc1ccc(c(c1)C)C(C)C 26a_100102657272_100000210824 [0,2,0,0,0,0|2,0,0]=4 13313 B13R1.385 CNCc1ccc(c(c1)C)N(C)C 207a_100102657272_100011216806 [0,2,0,0,0,0|2,0,0]=4 13314 B13R1.385 CNCc1ccc(c(c1)C)N(C)C 270004a_106832991635_100011216806 [0,2,0,0,0,0|2,0,0]=4 13315 B13R1.385 CNCc1ccc(c(c1)Cl)C(=O)C 26a_100102657272_100011933989 [0,2,0,0,0,0|2,0,0]=4 13316 B13R1.385 CNCc1ccc(c(c1)F)N(C)C 34a_106744497425_200000210301 [0,2,0,0,0,0|2,0,0]=4 13317 B13R1.388 C=C=Cc1ccc(cc1F)CCC 271570a_100015277604_200010686677 [0,2,0,0,0,0|1,0,1]=4 13318 B13R1.388 CC=Cc1ccc(c(c1)C)OCC 271570a_100016259895_100011308936 [0,2,0,0,0,0|0,0,2]=4 13319 B13R1.388 CC=Cc1ccc(c(c1)F)CCO 271570a_100016259895_100011962869 [0,2,0,0,0,0|2,0,0]=4 13320 B13R1.388 CC=Cc1ccc(c(c1)F)OCC 271570a_100016259895_200000171753 [0,2,0,0,0,0|0,0,2]=4 13321 B13R1.388 CC=Cc1ccc(c(c1)N)COC 271570a_100016259895_100013084866 [0,2,0,0,0,0|0,0,2]=4 13322 B13R1.388 CC=Cc1ccc(c(c1)N)OCC 271570a_100016259895_100000751366 [0,2,0,0,0,0|0,0,2]=4 13323 B13R1.388 CC=Cc1ccc(cc1C)NCC 271570a_100016259895_100015183089 [0,2,0,0,0,0|2,0,0]=4 13324 B13R1.388 CC=Cc1ccc(cc1C)OCC 271570a_100016259895_100012344538 [0,2,0,0,0,0|0,0,2]=4 13325 B13R1.388 CC=Cc1ccc(cc1F)CCC 271570a_100016259895_200010686677 [0,2,0,0,0,0|1,0,0]=3 13326 B13R1.388 CC=Cc1ccc(cc1F)CCO 271570a_100016259895_100012921202 [0,2,0,0,0,0|2,0,0]=4 13327 B13R1.388 CC=Cc1ccc(cc1F)COC 271570a_100016259895_100010177442 [0,2,0,0,0,0|0,0,2]=4 13328 B13R1.388 CC=Cc1ccc(cc1F)OCC 271570a_100016259895_100000692347 [0,2,0,0,0,0|0,0,2]=4 13329 B13R1.388 CC=Cc1ccc(cc1N)COC 271570a_100016259895_200013033220 [0,2,0,0,0,0|0,0,2]=4 13330 B13R1.388 CCCc1ccc(c(c1)F)SCC 62a_100000210202_200010686677 [0,2,0,0,0,0|0,1,0]=3 13331 B13R1.388 CCCc1ccc(c(c1)F)SCC 62a_200010686677_100000210202 [0,2,0,0,0,0|0,1,0]=3 13332 B13R1.388 CCCc1ccc(c(c1)F)SCF 62a_100015361967_200010686677 [0,2,0,0,0,0|0,1,0]=3 13333 B13R1.388 CCCc1ccc(c(c1)F)SCF 62a_200010686677_100015361967 [0,2,0,0,0,0|0,1,0]=3 13334 B13R1.388 CCNc1ccc(c(c1)C)SCC 62a_100000210202_100015183089 [0,2,0,0,0,0|1,1,0]=4 13335 B13R1.388 CCNc1ccc(c(c1)C)SCC 62a_100015183089_100000210202 [0,2,0,0,0,0|1,1,0]=4 13336 B13R1.388 CCNc1ccc(c(c1)C)SCF 62a_100015183089_100015361967 [0,2,0,0,0,0|1,1,0]=4 13337 B13R1.388 CCNc1ccc(c(c1)C)SCF 62a_100015361967_100015183089 [0,2,0,0,0,0|1,1,0]=4 13338 B13R1.388 CCNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000210202 [0,2,0,0,0,0|1,0,0]=3 13339 B13R1.388 CCNc1ccc(c(c1)Cl)OCC 34a_100000741444_100000210202 [0,2,0,0,0,0|1,0,0]=3 13340 B13R1.388 CCNc1ccc(c(c1)Cl)OCC 7a_100000741444_100000210202 [0,2,0,0,0,0|1,0,0]=3 13341 B13R1.388 CCNc1ccc(c(c1)F)COC 34a_100012145864_100000210202 [0,2,0,0,0,0|1,0,0]=3 13342 B13R1.388 CCNc1ccc(c(c1)F)COC 7a_100012145864_100000210202 [0,2,0,0,0,0|1,0,0]=3 13343 B13R1.388 CCNc1ccc(cc1C)OCC 2230a_100000742753_100000210202 [0,2,0,0,0,0|1,0,0]=3 13344 B13R1.388 CCNc1ccc(cc1C)OCC 34a_100000742753_100000210202 [0,2,0,0,0,0|1,0,0]=3 13345 B13R1.388 CCNc1ccc(cc1F)OCC 2230a_100015186438_100000210202 [0,2,0,0,0,0|1,0,0]=3 13346 B13R1.388 CCNc1ccc(cc1F)OCC 34a_100015186438_100000210202 [0,2,0,0,0,0|1,0,0]=3 13347 B13R1.388 CCOc1cc(c(cn1)SCC)C 62a_100000210202_200012351029 [0,2,0,0,0,0|2,0,0]=4 13348 B13R1.388 CCOc1cc(c(cn1)SCC)C 62a_200012351029_100000210202 [0,2,0,0,0,0|2,0,0]=4 13349 B13R1.388 CCOc1ccc(c(c1)Br)CNC 207a_100102657272_200012721597 [0,2,0,0,0,0|1,0,0]=3 13350 B13R1.388 CCOc1ccc(c(c1)Br)CNC 270004a_106832991635_200012721597 [0,2,0,0,0,0|1,0,0]=3 13351 B13R1.388 CCOc1ccc(c(c1)C)CNC 207a_100102657272_100011361535 [0,2,0,0,0,0|1,0,0]=3 13352 B13R1.388 CCOc1ccc(c(c1)C)CNC 270004a_106832991635_100011361535 [0,2,0,0,0,0|1,0,0]=3 13353 B13R1.388 CCOc1ccc(c(c1)C)NCF 34a_100000742753_100015361967 [0,2,0,0,0,0|2,0,0]=4 13354 B13R1.388 CCOc1ccc(c(c1)C)SCC 62a_100000210202_100012344538 [0,2,0,0,0,0|1,0,0]=3 13355 B13R1.388 CCOc1ccc(c(c1)C)SCF 62a_100015361967_100012344538 [0,2,0,0,0,0|1,1,0]=4 13356 B13R1.388 CCOc1ccc(c(c1)F)CNC 2230a_106832991635_200016184943 [0,2,0,0,0,0|1,0,0]=3 13357 B13R1.388 CCOc1ccc(c(c1)F)CNC 34a_100102657272_200016184943 [0,2,0,0,0,0|1,0,0]=3 13358 B13R1.388 CCOc1ccc(c(c1)F)CNC 7a_106832991635_200016184943 [0,2,0,0,0,0|1,0,0]=3 13359 B13R1.388 CCOc1ccc(c(c1)F)COC 34a_100138415774_200016184943 [0,2,0,0,0,0|1,0,0]=3 13360 B13R1.388 CCOc1ccc(c(c1)F)COC 34a_200015831911_200000210301 [0,2,0,0,0,0|1,0,0]=3 13361 B13R1.388 CCOc1ccc(c(c1)F)COC 7a_200015831911_200000210301 [0,2,0,0,0,0|1,0,0]=3 13362 B13R1.388 CCOc1ccc(c(c1)F)CO[13CH3] 34a_200015831911_200025704644 [0,2,0,0,0,0|1,0,0]=3 13363 B13R1.388 CCOc1ccc(c(c1)F)CO[13CH3] 7a_200015831911_200025704644 [0,2,0,0,0,0|1,0,0]=3 13364 B13R1.388 CCOc1ccc(c(c1)F)CSC 62a_200000210301_200016184943 [0,2,0,0,0,0|1,0,0]=3 13365 B13R1.388 CCOc1ccc(c(c1)F)CSC 62a_200016184943_200000210301 [0,2,0,0,0,0|1,0,0]=3 13366 B13R1.388 CCOc1ccc(c(c1)F)CS[13CH3] 62a_200016184943_200025704644 [0,2,0,0,0,0|1,0,0]=3 13367 B13R1.388 CCOc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_200016184943 [0,2,0,0,0,0|1,0,0]=3 13368 B13R1.388 CCOc1ccc(c(c1)F)NCF 34a_100015186438_100015361967 [0,2,0,0,0,0|2,0,0]=4 13369 B13R1.388 CCOc1ccc(c(c1)F)OCC 34a_100012771078_100000210202 [0,2,0,0,0,0|1,0,0]=3 13370 B13R1.388 CCOc1ccc(c(c1)F)OCC 7a_100012771078_100000210202 [0,2,0,0,0,0|1,0,0]=3 13371 B13R1.388 CCOc1ccc(c(c1)F)SCC 62a_100000210202_100000692347 [0,2,0,0,0,0|1,0,0]=3 13372 B13R1.388 CCOc1ccc(c(c1)F)SCC 62a_100000692347_100000210202 [0,2,0,0,0,0|1,0,0]=3 13373 B13R1.388 CCOc1ccc(c(c1)F)SCF 62a_100000692347_100015361967 [0,2,0,0,0,0|1,1,0]=4 13374 B13R1.388 CCOc1ccc(c(c1)F)SCF 62a_100015361967_100000692347 [0,2,0,0,0,0|1,1,0]=4 13375 B13R1.388 CCOc1ccc(cc1Br)CNC 207a_100102657272_100000173028 [0,2,0,0,0,0|1,0,0]=3 13376 B13R1.388 CCOc1ccc(cc1Br)CNC 270004a_106832991635_100000173028 [0,2,0,0,0,0|1,0,0]=3 13377 B13R1.388 CCOc1ccc(cc1Br)COC 34a_200011800839_200000210301 [0,2,0,0,0,0|1,0,0]=3 13378 B13R1.388 CCOc1ccc(cc1Br)COC 7a_200011800839_200000210301 [0,2,0,0,0,0|1,0,0]=3 13379 B13R1.388 CCOc1ccc(cc1Br)CO[13CH3] 34a_200011800839_200025704644 [0,2,0,0,0,0|1,0,0]=3 13380 B13R1.388 CCOc1ccc(cc1Br)CO[13CH3] 7a_200011800839_200025704644 [0,2,0,0,0,0|1,0,0]=3 13381 B13R1.388 CCOc1ccc(cc1C)CNC 207a_100102657272_100012017204 [0,2,0,0,0,0|1,0,0]=3 13382 B13R1.388 CCOc1ccc(cc1C)CNC 270004a_106832991635_100012017204 [0,2,0,0,0,0|1,0,0]=3 13383 B13R1.388 CCOc1ccc(cc1C)SCC 62a_100000210202_100011308936 [0,2,0,0,0,0|1,0,0]=3 13384 B13R1.388 CCOc1ccc(cc1C)SCC 62a_100011308936_100000210202 [0,2,0,0,0,0|1,0,0]=3 13385 B13R1.388 CCOc1ccc(cc1C)SCF 62a_100011308936_100015361967 [0,2,0,0,0,0|1,1,0]=4 13386 B13R1.388 CCOc1ccc(cc1C)SCF 62a_100015361967_100011308936 [0,2,0,0,0,0|1,1,0]=4 13387 B13R1.388 CCOc1ccc(cc1Cl)CNC 207a_100102657272_200000188301 [0,2,0,0,0,0|1,0,0]=3 13388 B13R1.388 CCOc1ccc(cc1Cl)CNC 270004a_106832991635_200000188301 [0,2,0,0,0,0|1,0,0]=3 13389 B13R1.388 CCOc1ccc(cc1Cl)COC 34a_200011523292_200000210301 [0,2,0,0,0,0|1,0,0]=3 13390 B13R1.388 CCOc1ccc(cc1Cl)COC 7a_200011523292_200000210301 [0,2,0,0,0,0|1,0,0]=3 13391 B13R1.388 CCOc1ccc(cc1Cl)CO[13CH3] 34a_200011523292_200025704644 [0,2,0,0,0,0|1,0,0]=3 13392 B13R1.388 CCOc1ccc(cc1Cl)CO[13CH3] 7a_200011523292_200025704644 [0,2,0,0,0,0|1,0,0]=3 13393 B13R1.388 CCOc1ccc(cc1Cl)NCF 34a_100000741444_100015361967 [0,2,0,0,0,0|2,0,0]=4 13394 B13R1.388 CCOc1ccc(cc1Cl)NCF 7a_100000741444_100015361967 [0,2,0,0,0,0|2,0,0]=4 13395 B13R1.388 CCOc1ccc(cc1F)OCF 34a_100012771078_100015361967 [0,2,0,0,0,0|1,0,0]=3 13396 B13R1.388 CCOc1ccc(cc1F)OCF 7a_100012771078_100015361967 [0,2,0,0,0,0|1,0,0]=3 13397 B13R1.388 CCOc1ccc(cc1F)SCC 62a_100000210202_200000171753 [0,2,0,0,0,0|1,0,0]=3 13398 B13R1.388 CCOc1ccc(cc1F)SCC 62a_200000171753_100000210202 [0,2,0,0,0,0|1,0,0]=3 13399 B13R1.388 CCOc1ccc(cc1F)SCF 62a_100015361967_200000171753 [0,2,0,0,0,0|1,1,0]=4 13400 B13R1.388 CCOc1ccc(cc1F)SCF 62a_200000171753_100015361967 [0,2,0,0,0,0|1,1,0]=4 13401 B13R1.388 CCOc1ccc(cc1I)CNC 207a_100102657272_200000123116 [0,2,0,0,0,0|1,0,0]=3 13402 B13R1.388 CCOc1ccc(cc1I)CNC 269862a_106832991636_200000123116 [0,2,0,0,0,0|1,0,0]=3 13403 B13R1.388 CCOc1ccc(cc1I)CNC 270004a_106832991635_200000123116 [0,2,0,0,0,0|1,0,0]=3 13404 B13R1.388 CCOc1ccc(cc1N)SCC 62a_100000751366_100000210202 [0,2,0,0,0,0|1,0,0]=3 13405 B13R1.388 CCOc1ccc(cc1N)SCF 62a_100000751366_100015361967 [0,2,0,0,0,0|1,1,0]=4 13406 B13R1.388 CCOc1ncc(cc1C)SCC 62a_100000210202_100012351028 [0,2,0,0,0,0|2,0,0]=4 13407 B13R1.388 CCOc1ncc(cc1C)SCC 62a_100012351028_100000210202 [0,2,0,0,0,0|2,0,0]=4 13408 B13R1.388 CCOc1ncc(cc1N)SCC 62a_100000210202_100011433076 [0,2,0,0,0,0|2,0,0]=4 13409 B13R1.388 CCOc1ncc(cc1N)SCC 62a_100011433076_100000210202 [0,2,0,0,0,0|2,0,0]=4 13410 B13R1.388 CCSc1ccc(c(c1)F)CCO 62a_100000210202_100011962869 [0,2,0,0,0,0|1,1,0]=4 13411 B13R1.388 CCSc1ccc(c(c1)F)CCO 62a_100011962869_100000210202 [0,2,0,0,0,0|1,1,0]=4 13412 B13R1.388 CCSc1ccc(c(c1)N)COC 62a_100000210202_100013084866 [0,2,0,0,0,0|1,0,0]=3 13413 B13R1.388 CCSc1ccc(c(c1)N)COC 62a_100013084866_100000210202 [0,2,0,0,0,0|1,0,0]=3 13414 B13R1.388 CCSc1ccc(cc1F)CCO 62a_100000210202_100012921202 [0,2,0,0,0,0|1,1,0]=4 13415 B13R1.388 CCSc1ccc(cc1F)CCO 62a_100012921202_100000210202 [0,2,0,0,0,0|1,1,0]=4 13416 B13R1.388 CCSc1ccc(cc1F)COC 62a_100000210202_100010177442 [0,2,0,0,0,0|1,0,0]=3 13417 B13R1.388 CCSc1ccc(cc1F)COC 62a_100010177442_100000210202 [0,2,0,0,0,0|1,0,0]=3 13418 B13R1.388 CCSc1ccc(cc1N)COC 62a_100000210202_200013033220 [0,2,0,0,0,0|1,0,0]=3 13419 B13R1.388 CCSc1ccc(cc1N)COC 62a_200013033220_100000210202 [0,2,0,0,0,0|1,0,0]=3 13420 B13R1.388 COCc1ccc(c(c1)F)SCF 62a_100010177442_100015361967 [0,2,0,0,0,0|1,1,0]=4 13421 B13R1.388 COCc1ccc(c(c1)F)SCF 62a_100015361967_100010177442 [0,2,0,0,0,0|1,1,0]=4 13422 B13R1.388 COCc1ccc(c(c1)N)SCF 62a_100015361967_200013033220 [0,2,0,0,0,0|1,1,0]=4 13423 B13R1.388 COCc1ccc(c(c1)N)SCF 62a_200013033220_100015361967 [0,2,0,0,0,0|1,1,0]=4 13424 B13R1.388 COCc1ccc(cc1F)NCF 34a_100012145864_100015361967 [0,2,0,0,0,0|2,0,0]=4 13425 B13R1.388 COCc1ccc(cc1F)NCF 7a_100012145864_100015361967 [0,2,0,0,0,0|2,0,0]=4 13426 B13R1.388 COCc1ccc(cc1N)SCF 62a_100013084866_100015361967 [0,2,0,0,0,0|1,1,0]=4 13427 B13R1.388 COCc1ccc(cc1N)SCF 62a_100015361967_100013084866 [0,2,0,0,0,0|1,1,0]=4 13428 B13R1.388 OCCc1ccc(c(c1)F)SCF 62a_100012921202_100015361967 [0,2,0,0,0,0|1,1,0]=4 13429 B13R1.388 OCCc1ccc(c(c1)F)SCF 62a_100015361967_100012921202 [0,2,0,0,0,0|1,1,0]=4 13430 B13R1.388 OCCc1ccc(cc1F)SCF 62a_100011962869_100015361967 [0,2,0,0,0,0|1,1,0]=4 13431 B13R1.388 OCCc1ccc(cc1F)SCF 62a_100015361967_100011962869 [0,2,0,0,0,0|1,1,0]=4 13432 B13R1.1249 C=Cc1cc(ccc1CC#N)OC 271570a_100011290941_100010146818 [0,2,0,0,0,0|1,0,1]=4 13433 B13R1.1249 CC=Cc1ccc(cc1C#N)OC 271570a_100016259895_100000748272 [0,2,0,0,0,0|0,0,2]=4 13434 B13R1.1249 CC=Cc1ccc(cc1C=O)OC 271570a_100016259895_100000691568 [0,2,0,0,0,0|0,0,2]=4 13435 B13R1.1249 CC=Cc1ccc(cc1CC)OC 271570a_100016259895_100000720562 [0,2,0,0,0,0|0,0,2]=4 13436 B13R1.1249 CC=Cc1ccc(cc1CN)OC 271570a_100016259895_100000741592 [0,2,0,0,0,0|0,0,2]=4 13437 B13R1.1249 CC=Cc1ccc(cc1CO)OC 271570a_100016259895_200011273942 [0,2,0,0,0,0|0,0,2]=4 13438 B13R1.1249 CC=Cc1ccc(cc1OC)OC 271570a_100016259895_100000750026 [0,2,0,0,0,0|0,0,2]=4 13439 B13R1.1249 CCNc1ccc(cc1C#N)OC 34a_100011997231_100000210202 [0,2,0,0,0,0|1,0,0]=3 13440 B13R1.1249 CCNc1ccc(cc1CO)OC 34a_100012001277_100000210202 [0,2,0,0,0,0|1,0,0]=3 13441 B13R1.1249 CCNc1ccc(cc1OC)OC 2230a_100000211191_100000210202 [0,2,0,0,0,0|1,0,0]=3 13442 B13R1.1249 CCNc1ccc(cc1OC)OC 34a_100000211191_100000210202 [0,2,0,0,0,0|1,0,0]=3 13443 B13R1.1249 CCNc1ccc(cc1OC)SC 2230a_100000766855_100000210202 [0,2,0,0,0,0|1,1,0]=4 13444 B13R1.1249 CCNc1ccc(cc1OC)SC 34a_100000766855_100000210202 [0,2,0,0,0,0|1,1,0]=4 13445 B13R1.1249 CCOc1ccc(cc1C#N)OC 34a_200011934229_100000210202 [0,2,0,0,0,0|1,0,0]=3 13446 B13R1.1249 CCOc1ccc(cc1C#N)OC 7a_200011934229_100000210202 [0,2,0,0,0,0|1,0,0]=3 13447 B13R1.1249 CCOc1ccc(cc1C#N)SC 62a_200000210301_100000188824 [0,2,0,0,0,0|1,1,0]=4 13448 B13R1.1249 CCOc1ccc(cc1C#N)S[13CH3] 62a_200025704644_100000188824 [0,2,0,0,0,0|1,1,0]=4 13449 B13R1.1249 CCOc1ccc(cc1C=O)SC 62a_100000170027_200000210301 [0,2,0,0,0,0|1,1,0]=4 13450 B13R1.1249 CCOc1ccc(cc1C=O)S[13CH3] 62a_100000170027_200025704644 [0,2,0,0,0,0|1,1,0]=4 13451 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200000210301_200010070707 [0,2,0,0,0,0|1,1,0]=4 13452 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200010070707_200000210301 [0,2,0,0,0,0|1,1,0]=4 13453 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200010070707_200025704644 [0,2,0,0,0,0|1,1,0]=4 13454 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200025704644_200010070707 [0,2,0,0,0,0|1,1,0]=4 13455 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [0,2,0,0,0,0|2,0,0]=4 13456 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [0,2,0,0,0,0|2,0,0]=4 13457 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 13458 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 13459 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 13460 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 13461 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,2,0,0,0,0|1,0,0]=3 13462 B13R1.1249 CCOc1ccc(nc1OC)OC 34a_100000085135_100000210202 [0,2,0,0,0,0|2,0,0]=4 13463 B13R1.1249 CCSc1ccc(cc1C#N)OC 62a_100000210202_100000748272 [0,2,0,0,0,0|1,0,0]=3 13464 B13R1.1249 CCSc1ccc(cc1C=O)OC 62a_100000210202_100000691568 [0,2,0,0,0,0|1,0,0]=3 13465 B13R1.1249 CCSc1ccc(cc1C=O)OC 62a_100000691568_100000210202 [0,2,0,0,0,0|1,0,0]=3 13466 B13R1.1249 CCSc1ccc(cc1CC)OC 62a_100000210202_100000720562 [0,2,0,0,0,0|1,0,0]=3 13467 B13R1.1249 CCSc1ccc(cc1CC)OC 62a_100000720562_100000210202 [0,2,0,0,0,0|1,0,0]=3 13468 B13R1.1249 CCSc1ccc(cc1CN)OC 62a_100000210202_100000741592 [0,2,0,0,0,0|1,0,0]=3 13469 B13R1.1249 CCSc1ccc(cc1CN)OC 62a_100000741592_100000210202 [0,2,0,0,0,0|1,0,0]=3 13470 B13R1.1249 CCSc1ccc(cc1CO)OC 62a_100000210202_200011273942 [0,2,0,0,0,0|1,0,0]=3 13471 B13R1.1249 CCSc1ccc(cc1CO)OC 62a_200011273942_100000210202 [0,2,0,0,0,0|1,0,0]=3 13472 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_100000210202_200010710389 [0,2,0,0,0,0|2,0,0]=4 13473 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_200010710389_100000210202 [0,2,0,0,0,0|2,0,0]=4 13474 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000210202_100000750026 [0,2,0,0,0,0|1,0,0]=3 13475 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000750026_100000210202 [0,2,0,0,0,0|1,0,0]=3 13476 B13R1.1249 CCSc1ccc(nc1C#N)OC 62a_100000210202_200010187624 [0,2,0,0,0,0|2,0,0]=4 13477 B13R1.1249 CCSc1ccc(nc1C=O)OC 62a_200010173843_100000210202 [0,2,0,0,0,0|2,0,0]=4 13478 B13R1.1249 CCSc1ccc(nc1CO)OC 62a_100000210202_100010069746 [0,2,0,0,0,0|2,0,0]=4 13479 B13R1.1249 CCSc1ccc(nc1CO)OC 62a_100010069746_100000210202 [0,2,0,0,0,0|2,0,0]=4 13480 B13R1.1249 CCSc1ccc(nc1OC)OC 62a_100000210202_100009816055 [0,2,0,0,0,0|2,0,0]=4 13481 B13R1.1249 CCSc1ccc(nc1OC)OC 62a_100009816055_100000210202 [0,2,0,0,0,0|2,0,0]=4 13482 B13R1.1249 CCSc1cnc(cc1C=O)OC 62a_100000210202_100010171658 [0,2,0,0,0,0|2,0,0]=4 13483 B13R1.1249 CCSc1cnc(cc1C=O)OC 62a_100010171658_100000210202 [0,2,0,0,0,0|2,0,0]=4 13484 B13R1.1249 CCSc1cnc(cc1CO)OC 62a_100000210202_100012343675 [0,2,0,0,0,0|2,0,0]=4 13485 B13R1.1249 CCSc1cnc(cc1CO)OC 62a_100012343675_100000210202 [0,2,0,0,0,0|2,0,0]=4 13486 B13R1.1249 CCSc1cnc(cc1OC)OC 62a_100000210202_100010191559 [0,2,0,0,0,0|2,0,0]=4 13487 B13R1.1249 CCSc1cnc(cc1OC)OC 62a_100010191559_100000210202 [0,2,0,0,0,0|2,0,0]=4 13488 B13R1.1249 CCc1cc(ccc1SCF)OC 62a_100000720562_100015361967 [0,2,0,0,0,0|2,0,0]=4 13489 B13R1.1249 CCc1cc(ccc1SCF)OC 62a_100015361967_100000720562 [0,2,0,0,0,0|2,0,0]=4 13490 B13R1.1249 CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000186467 [0,2,0,0,0,0|2,0,0]=4 13491 B13R1.1249 CNCc1ccc(cc1C#N)OC 207a_100102657272_200011361550 [0,2,0,0,0,0|1,0,0]=3 13492 B13R1.1249 CNCc1ccc(cc1OC)OC 207a_100102657272_100000188320 [0,2,0,0,0,0|1,0,0]=3 13493 B13R1.1249 CNCc1ccc(cc1OC)OC 26a_100102657272_100009840267 [0,2,0,0,0,0|1,0,0]=3 13494 B13R1.1249 CNCc1ccc(cc1OC)OC 270004a_106832991635_100000188320 [0,2,0,0,0,0|1,0,0]=3 13495 B13R1.1249 CNCc1ccc(cc1OC)OC 34a_100000737765_200000210301 [0,2,0,0,0,0|1,0,0]=3 13496 B13R1.1249 CNCc1ccc(nc1OC)OC 207a_100102657272_100011934679 [0,2,0,0,0,0|2,0,0]=4 13497 B13R1.1249 CNCc1ccc(nc1OC)OC 270004a_106832991635_100011934679 [0,2,0,0,0,0|2,0,0]=4 13498 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|1,0,0]=3 13499 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|1,0,0]=3 13500 B13R1.1249 COc1ccc(c(c1)C#N)NCF 34a_100011997231_100015361967 [0,2,0,0,0,0|2,0,0]=4 13501 B13R1.1249 COc1ccc(c(c1)C#N)OCF 34a_200011934229_100015361967 [0,2,0,0,0,0|2,0,0]=4 13502 B13R1.1249 COc1ccc(c(c1)C#N)OCF 7a_200011934229_100015361967 [0,2,0,0,0,0|2,0,0]=4 13503 B13R1.1249 COc1ccc(c(c1)C#N)SCF 62a_100015361967_100000748272 [0,2,0,0,0,0|2,0,0]=4 13504 B13R1.1249 COc1ccc(c(c1)C=O)SCF 62a_100000691568_100015361967 [0,2,0,0,0,0|2,0,0]=4 13505 B13R1.1249 COc1ccc(c(c1)C=O)SCF 62a_100015361967_100000691568 [0,2,0,0,0,0|2,0,0]=4 13506 B13R1.1249 COc1ccc(c(c1)CN)SCF 62a_100000741592_100015361967 [0,2,0,0,0,0|2,0,0]=4 13507 B13R1.1249 COc1ccc(c(c1)CN)SCF 62a_100015361967_100000741592 [0,2,0,0,0,0|2,0,0]=4 13508 B13R1.1249 COc1ccc(c(c1)CO)NCF 34a_100012001277_100015361967 [0,2,0,0,0,0|2,0,0]=4 13509 B13R1.1249 COc1ccc(c(c1)CO)SCF 62a_100015361967_200011273942 [0,2,0,0,0,0|2,0,0]=4 13510 B13R1.1249 COc1ccc(c(c1)CO)SCF 62a_200011273942_100015361967 [0,2,0,0,0,0|2,0,0]=4 13511 B13R1.1249 COc1ccc(c(c1)OC)CN[13CH3] 34a_100000737765_200025704644 [0,2,0,0,0,0|1,0,0]=3 13512 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|1,0,0]=3 13513 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|1,0,0]=3 13514 B13R1.1249 COc1ccc(c(c1)OC)NCF 34a_100000211191_100015361967 [0,2,0,0,0,0|2,0,0]=4 13515 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,2,0,0,0,0|2,0,0]=4 13516 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100000750026_100015361967 [0,2,0,0,0,0|2,0,0]=4 13517 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100015361967_100000750026 [0,2,0,0,0,0|2,0,0]=4 13518 B13R1.1249 COc1ccc(c(c1)SC)CC#N 62a_100010146818_200000210301 [0,2,0,0,0,0|1,0,1]=4 13519 B13R1.1249 COc1ccc(c(c1)SC)CC#N 62a_200000210301_100010146818 [0,2,0,0,0,0|1,0,1]=4 13520 B13R1.1249 COc1ccc(c(c1)S[13CH3])CC#N 62a_100010146818_200025704644 [0,2,0,0,0,0|1,0,1]=4 13521 B13R1.1249 COc1ccc(c(c1)S[13CH3])CC#N 62a_200025704644_100010146818 [0,2,0,0,0,0|1,0,1]=4 13522 B13R1.1254 CC=Cc1ccc(c(c1C)C)OC 271570a_100016259895_100000049725 [0,2,0,0,0,0|0,0,2]=4 13523 B13R1.1254 CC=Cc1ccc(c(c1F)F)OC 271570a_100016259895_100009816879 [0,2,0,0,0,0|0,0,2]=4 13524 B13R1.1254 CCNc1ccc(c(c1C)C)OC 2230a_100025755787_100000210202 [0,2,0,0,0,0|1,0,0]=3 13525 B13R1.1254 CCNc1ccc(c(c1C)C)OC 34a_100025755787_100000210202 [0,2,0,0,0,0|1,0,0]=3 13526 B13R1.1254 CCNc1ccc(c(c1C)C)OC 7a_100025755787_100000210202 [0,2,0,0,0,0|1,0,0]=3 13527 B13R1.1254 CCNc1ccc(c(c1F)F)OC 2230a_100000062114_100000210202 [0,2,0,0,0,0|1,0,0]=3 13528 B13R1.1254 CCNc1ccc(c(c1F)F)OC 34a_100000062114_100000210202 [0,2,0,0,0,0|1,0,0]=3 13529 B13R1.1254 CCOc1ccc(c(c1F)F)NC 2230a_100000061421_200000210301 [0,2,0,0,0,0|2,0,0]=4 13530 B13R1.1254 CCOc1ccc(c(c1F)F)NC 34a_100000061421_200000210301 [0,2,0,0,0,0|2,0,0]=4 13531 B13R1.1254 CCOc1ccc(c(c1F)F)NC 7a_100000061421_200000210301 [0,2,0,0,0,0|2,0,0]=4 13532 B13R1.1254 CCOc1ccc(c(c1F)F)N[13CH3] 2230a_100000061421_200025704644 [0,2,0,0,0,0|2,0,0]=4 13533 B13R1.1254 CCOc1ccc(c(c1F)F)N[13CH3] 34a_100000061421_200025704644 [0,2,0,0,0,0|2,0,0]=4 13534 B13R1.1254 CCOc1ccc(c(c1F)F)N[13CH3] 7a_100000061421_200025704644 [0,2,0,0,0,0|2,0,0]=4 13535 B13R1.1254 CCOc1ccc(c(c1F)F)OC 34a_100000034963_100000210202 [0,2,0,0,0,0|1,0,0]=3 13536 B13R1.1254 CCOc1ccc(c(c1F)F)OC 34a_100000061663_200000210301 [0,2,0,0,0,0|1,0,0]=3 13537 B13R1.1254 CCOc1ccc(c(c1F)F)OC 7a_100000034963_100000210202 [0,2,0,0,0,0|1,0,0]=3 13538 B13R1.1254 CCOc1ccc(c(c1F)F)OC 7a_100000061663_200000210301 [0,2,0,0,0,0|1,0,0]=3 13539 B13R1.1254 CCOc1ccc(c(c1F)F)O[13CH3] 34a_100000061663_200025704644 [0,2,0,0,0,0|1,0,0]=3 13540 B13R1.1254 CCOc1ccc(c(c1F)F)O[13CH3] 7a_100000061663_200025704644 [0,2,0,0,0,0|1,0,0]=3 13541 B13R1.1254 CCOc1ccc(c(c1F)F)SC 62a_100010177744_200000210301 [0,2,0,0,0,0|1,1,0]=4 13542 B13R1.1254 CCOc1ccc(c(c1F)F)SC 62a_200000210301_100010177744 [0,2,0,0,0,0|1,1,0]=4 13543 B13R1.1254 CCOc1ccc(c(c1F)F)S[13CH3] 62a_100010177744_200025704644 [0,2,0,0,0,0|1,1,0]=4 13544 B13R1.1254 CCOc1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010177744 [0,2,0,0,0,0|1,1,0]=4 13545 B13R1.1254 CCSc1ccc(c(c1C)C)OC 62a_100000049725_100000210202 [0,2,0,0,0,0|1,0,0]=3 13546 B13R1.1254 CCSc1ccc(c(c1C)C)OC 62a_100000210202_100000049725 [0,2,0,0,0,0|1,0,0]=3 13547 B13R1.1254 CCSc1ccc(c(c1C)F)SC 62a_100000210202_202125771832 [0,2,0,0,0,0|1,1,0]=4 13548 B13R1.1254 CCSc1ccc(c(c1C)F)SC 62a_202125771832_100000210202 [0,2,0,0,0,0|1,1,0]=4 13549 B13R1.1254 CCSc1ccc(c(c1F)F)OC 62a_100000210202_100009816879 [0,2,0,0,0,0|1,0,0]=3 13550 B13R1.1254 CCSc1ccc(c(c1F)F)OC 62a_100009816879_100000210202 [0,2,0,0,0,0|1,0,0]=3 13551 B13R1.1254 CCSc1cnc(c(c1C)N)OC 62a_100000210202_100010380692 [0,2,0,0,0,0|2,0,0]=4 13552 B13R1.1254 CCSc1cnc(c(c1C)N)OC 62a_100010380692_100000210202 [0,2,0,0,0,0|2,0,0]=4 13553 B13R1.1254 CNCc1ccc(c(c1C)C)OC 207a_100102657272_100000032066 [0,2,0,0,0,0|1,0,0]=3 13554 B13R1.1254 CNCc1ccc(c(c1C)C)OC 270004a_106832991635_100000032066 [0,2,0,0,0,0|1,0,0]=3 13555 B13R1.1254 CNCc1ccc(c(c1Cl)Cl)OC 207a_100102657272_100010688703 [0,2,0,0,0,0|1,0,0]=3 13556 B13R1.1254 CNCc1ccc(c(c1Cl)Cl)OC 270004a_106832991635_100010688703 [0,2,0,0,0,0|1,0,0]=3 13557 B13R1.1254 CNCc1ccc(c(c1F)F)OC 207a_100102657272_100000062113 [0,2,0,0,0,0|1,0,0]=3 13558 B13R1.1254 CNCc1ccc(c(c1F)F)OC 2230a_106832991635_100009814551 [0,2,0,0,0,0|1,0,0]=3 13559 B13R1.1254 CNCc1ccc(c(c1F)F)OC 2230a_114873766943_200000210301 [0,2,0,0,0,0|1,0,0]=3 13560 B13R1.1254 CNCc1ccc(c(c1F)F)OC 26a_100102657272_100000034963 [0,2,0,0,0,0|1,0,0]=3 13561 B13R1.1254 CNCc1ccc(c(c1F)F)OC 34a_100102657272_100009814551 [0,2,0,0,0,0|1,0,0]=3 13562 B13R1.1254 CNCc1ccc(c(c1F)F)OC 34a_114873766943_200000210301 [0,2,0,0,0,0|1,0,0]=3 13563 B13R1.1254 CNCc1ccc(c(c1F)F)OC 7a_106832991635_100009814551 [0,2,0,0,0,0|1,0,0]=3 13564 B13R1.1254 COCc1ccc(c(c1F)F)OC 34a_100000081359_200000210301 [0,2,0,0,0,0|1,0,0]=3 13565 B13R1.1254 COCc1ccc(c(c1F)F)OC 34a_100138415774_100009814551 [0,2,0,0,0,0|1,0,0]=3 13566 B13R1.1254 COCc1ccc(c(c1F)F)OC 7a_100000081359_200000210301 [0,2,0,0,0,0|1,0,0]=3 13567 B13R1.1254 COc1ccc(c(c1C)C)NCF 34a_100025755787_100015361967 [0,2,0,0,0,0|2,0,0]=4 13568 B13R1.1254 COc1ccc(c(c1C)C)NCF 7a_100025755787_100015361967 [0,2,0,0,0,0|2,0,0]=4 13569 B13R1.1254 COc1ccc(c(c1C)C)SCF 62a_100000049725_100015361967 [0,2,0,0,0,0|2,0,0]=4 13570 B13R1.1254 COc1ccc(c(c1C)C)SCF 62a_100015361967_100000049725 [0,2,0,0,0,0|2,0,0]=4 13571 B13R1.1254 COc1ccc(c(c1F)F)CN[13CH3] 2230a_114873766943_200025704644 [0,2,0,0,0,0|1,0,0]=3 13572 B13R1.1254 COc1ccc(c(c1F)F)CN[13CH3] 34a_114873766943_200025704644 [0,2,0,0,0,0|1,0,0]=3 13573 B13R1.1254 COc1ccc(c(c1F)F)CO[13CH3] 34a_100000081359_200025704644 [0,2,0,0,0,0|1,0,0]=3 13574 B13R1.1254 COc1ccc(c(c1F)F)CO[13CH3] 7a_100000081359_200025704644 [0,2,0,0,0,0|1,0,0]=3 13575 B13R1.1254 COc1ccc(c(c1F)F)CSC 62a_100009814551_200000210301 [0,2,0,0,0,0|1,0,0]=3 13576 B13R1.1254 COc1ccc(c(c1F)F)CSC 62a_200000210301_100009814551 [0,2,0,0,0,0|1,0,0]=3 13577 B13R1.1254 COc1ccc(c(c1F)F)CS[13CH3] 62a_100009814551_200025704644 [0,2,0,0,0,0|1,0,0]=3 13578 B13R1.1254 COc1ccc(c(c1F)F)CS[13CH3] 62a_200025704644_100009814551 [0,2,0,0,0,0|1,0,0]=3 13579 B13R1.1254 COc1ccc(c(c1F)F)NCF 34a_100000062114_100015361967 [0,2,0,0,0,0|2,0,0]=4 13580 B13R1.1254 COc1ccc(c(c1F)F)OCF 34a_100000034963_100015361967 [0,2,0,0,0,0|2,0,0]=4 13581 B13R1.1254 COc1ccc(c(c1F)F)OCF 7a_100000034963_100015361967 [0,2,0,0,0,0|2,0,0]=4 13582 B13R1.1254 COc1ccc(c(c1F)F)SCF 62a_100009816879_100015361967 [0,2,0,0,0,0|2,0,0]=4 13583 B13R1.1254 COc1ccc(c(c1F)F)SCF 62a_100015361967_100009816879 [0,2,0,0,0,0|2,0,0]=4 13584 B13R1.2901 CC=Cc1cc(c(cc1C)OC)C 271570a_100016259895_100000698960 [0,2,0,0,0,0|0,0,2]=4 13585 B13R1.2901 CC=Cc1cc(c(cc1C)OC)F 271570a_100016259895_100010074640 [0,2,0,0,0,0|0,0,2]=4 13586 B13R1.2901 CC=Cc1cc(c(cc1Cl)OC)N 271570a_100016259895_100011011177 [0,2,0,0,0,0|0,0,2]=4 13587 B13R1.2901 CC=Cc1cc(c(cc1F)OC)F 271570a_100016259895_100009813720 [0,2,0,0,0,0|0,0,2]=4 13588 B13R1.2901 CC=Cc1cc(c(cc1F)OC)N 271570a_100016259895_100012361397 [0,2,0,0,0,0|0,0,2]=4 13589 B13R1.2901 CC=Cc1cc(c(cc1N)OC)C 271570a_100016259895_100010244135 [0,2,0,0,0,0|0,0,2]=4 13590 B13R1.2901 CC=Cc1cc(c(cc1N)OC)F 271570a_100016259895_100010208193 [0,2,0,0,0,0|0,0,2]=4 13591 B13R1.2901 CCNc1cc(c(cc1Br)OC)C 34a_200010584344_100000210202 [0,2,0,0,0,0|1,0,0]=3 13592 B13R1.2901 CCNc1cc(c(cc1Br)OC)C 7a_200010584344_100000210202 [0,2,0,0,0,0|1,0,0]=3 13593 B13R1.2901 CCNc1cc(c(cc1Br)OC)F 34a_100010365326_100000210202 [0,2,0,0,0,0|1,0,0]=3 13594 B13R1.2901 CCNc1cc(c(cc1C)OC)Br 34a_106657271712_100000210202 [0,2,0,0,0,0|1,0,0]=3 13595 B13R1.2901 CCNc1cc(c(cc1C)OC)Br 7a_106657271712_100000210202 [0,2,0,0,0,0|1,0,0]=3 13596 B13R1.2901 CCNc1cc(c(cc1C)OC)Cl 34a_100012039520_100000210202 [0,2,0,0,0,0|1,0,0]=3 13597 B13R1.2901 CCNc1cc(c(cc1C)OC)Cl 7a_100012039520_100000210202 [0,2,0,0,0,0|1,0,0]=3 13598 B13R1.2901 CCNc1cc(c(cc1Cl)OC)Cl 34a_100011935304_100000210202 [0,2,0,0,0,0|1,0,0]=3 13599 B13R1.2901 CCSc1cc(c(cc1C)OC)C 62a_100000210202_100000698960 [0,2,0,0,0,0|1,0,0]=3 13600 B13R1.2901 CCSc1cc(c(cc1C)OC)C 62a_100000698960_100000210202 [0,2,0,0,0,0|1,0,0]=3 13601 B13R1.2901 CCSc1cc(c(cc1C)OC)F 62a_100000210202_100010074640 [0,2,0,0,0,0|1,0,0]=3 13602 B13R1.2901 CCSc1cc(c(cc1C)OC)F 62a_100010074640_100000210202 [0,2,0,0,0,0|1,0,0]=3 13603 B13R1.2901 CCSc1cc(c(cc1Cl)OC)N 62a_100000210202_100011011177 [0,2,0,0,0,0|1,0,0]=3 13604 B13R1.2901 CCSc1cc(c(cc1Cl)OC)N 62a_100011011177_100000210202 [0,2,0,0,0,0|1,0,0]=3 13605 B13R1.2901 CCSc1cc(c(cc1F)OC)F 62a_100000210202_100009813720 [0,2,0,0,0,0|1,0,0]=3 13606 B13R1.2901 CCSc1cc(c(cc1F)OC)F 62a_100009813720_100000210202 [0,2,0,0,0,0|1,0,0]=3 13607 B13R1.2901 CCSc1cc(c(cc1F)OC)N 62a_100000210202_100012361397 [0,2,0,0,0,0|1,0,0]=3 13608 B13R1.2901 CCSc1cc(c(cc1F)OC)N 62a_100012361397_100000210202 [0,2,0,0,0,0|1,0,0]=3 13609 B13R1.2901 CCSc1cc(c(cc1N)OC)C 62a_100000210202_100010244135 [0,2,0,0,0,0|1,0,0]=3 13610 B13R1.2901 CCSc1cc(c(cc1N)OC)C 62a_100010244135_100000210202 [0,2,0,0,0,0|1,0,0]=3 13611 B13R1.2901 CCSc1cc(c(cc1N)OC)F 62a_100000210202_100010208193 [0,2,0,0,0,0|1,0,0]=3 13612 B13R1.2901 CCSc1cc(c(cc1N)OC)F 62a_100010208193_100000210202 [0,2,0,0,0,0|1,0,0]=3 13613 B13R1.2901 CNCc1cc(c(cc1C)OC)C 207a_100102657272_100000186736 [0,2,0,0,0,0|1,0,0]=3 13614 B13R1.2901 CNCc1cc(c(cc1C)OC)C 270004a_106832991635_100000186736 [0,2,0,0,0,0|1,0,0]=3 13615 B13R1.2901 CNCc1cc(c(cc1F)OC)Br 207a_100102657272_100010244998 [0,2,0,0,0,0|1,0,0]=3 13616 B13R1.2901 CNCc1cc(c(cc1F)OC)Br 270004a_106832991635_100010244998 [0,2,0,0,0,0|1,0,0]=3 13617 B13R1.2901 CNCc1cc(c(cc1F)OC)F 207a_100102657272_100000061656 [0,2,0,0,0,0|1,0,0]=3 13618 B13R1.2901 CNCc1cc(c(cc1F)OC)F 270004a_106832991635_100000061656 [0,2,0,0,0,0|1,0,0]=3 13619 B13R1.2901 COCc1cc(c(cc1F)OC)F 34a_100000083586_200000210301 [0,2,0,0,0,0|1,0,0]=3 13620 B13R1.2901 COCc1cc(c(cc1F)OC)F 7a_100000083586_200000210301 [0,2,0,0,0,0|1,0,0]=3 13621 B13R1.2901 COc1cc(c(cc1Br)NCF)C 34a_106657271712_100015361967 [0,2,0,0,0,0|2,0,0]=4 13622 B13R1.2901 COc1cc(c(cc1Br)NCF)C 7a_106657271712_100015361967 [0,2,0,0,0,0|2,0,0]=4 13623 B13R1.2901 COc1cc(c(cc1C)NCF)Br 34a_200010584344_100015361967 [0,2,0,0,0,0|2,0,0]=4 13624 B13R1.2901 COc1cc(c(cc1C)NCF)Br 7a_200010584344_100015361967 [0,2,0,0,0,0|2,0,0]=4 13625 B13R1.2901 COc1cc(c(cc1C)SCF)C 62a_100000698960_100015361967 [0,2,0,0,0,0|2,0,0]=4 13626 B13R1.2901 COc1cc(c(cc1C)SCF)C 62a_100015361967_100000698960 [0,2,0,0,0,0|2,0,0]=4 13627 B13R1.2901 COc1cc(c(cc1C)SCF)N 62a_100010244135_100015361967 [0,2,0,0,0,0|2,0,0]=4 13628 B13R1.2901 COc1cc(c(cc1C)SCF)N 62a_100015361967_100010244135 [0,2,0,0,0,0|2,0,0]=4 13629 B13R1.2901 COc1cc(c(cc1Cl)NCF)C 34a_100012039520_100015361967 [0,2,0,0,0,0|2,0,0]=4 13630 B13R1.2901 COc1cc(c(cc1Cl)NCF)C 7a_100012039520_100015361967 [0,2,0,0,0,0|2,0,0]=4 13631 B13R1.2901 COc1cc(c(cc1Cl)NCF)Cl 34a_100011935304_100015361967 [0,2,0,0,0,0|2,0,0]=4 13632 B13R1.2901 COc1cc(c(cc1F)CO[13CH3])F 34a_100000083586_200025704644 [0,2,0,0,0,0|1,0,0]=3 13633 B13R1.2901 COc1cc(c(cc1F)CO[13CH3])F 7a_100000083586_200025704644 [0,2,0,0,0,0|1,0,0]=3 13634 B13R1.2901 COc1cc(c(cc1F)NCF)Br 34a_100010365326_100015361967 [0,2,0,0,0,0|2,0,0]=4 13635 B13R1.2901 COc1cc(c(cc1F)SCF)C 62a_100010074640_100015361967 [0,2,0,0,0,0|2,0,0]=4 13636 B13R1.2901 COc1cc(c(cc1F)SCF)C 62a_100015361967_100010074640 [0,2,0,0,0,0|2,0,0]=4 13637 B13R1.2901 COc1cc(c(cc1F)SCF)F 62a_100009813720_100015361967 [0,2,0,0,0,0|2,0,0]=4 13638 B13R1.2901 COc1cc(c(cc1F)SCF)F 62a_100015361967_100009813720 [0,2,0,0,0,0|2,0,0]=4 13639 B13R1.2901 COc1cc(c(cc1F)SCF)N 62a_100010208193_100015361967 [0,2,0,0,0,0|2,0,0]=4 13640 B13R1.2901 COc1cc(c(cc1F)SCF)N 62a_100015361967_100010208193 [0,2,0,0,0,0|2,0,0]=4 13641 B13R1.2901 COc1cc(c(cc1N)SCF)Cl 62a_100011011177_100015361967 [0,2,0,0,0,0|2,0,0]=4 13642 B13R1.2901 COc1cc(c(cc1N)SCF)Cl 62a_100015361967_100011011177 [0,2,0,0,0,0|2,0,0]=4 13643 B13R1.2901 COc1cc(c(cc1N)SCF)F 62a_100012361397_100015361967 [0,2,0,0,0,0|2,0,0]=4 13644 B13R1.2901 COc1cc(c(cc1N)SCF)F 62a_100015361967_100012361397 [0,2,0,0,0,0|2,0,0]=4 13645 B13R1.3945 CC=Cc1c(cc(cc1C)OC)C 271570a_100016259895_100012160682 [0,2,0,0,0,0|0,0,2]=4 13646 B13R1.3945 CC=Cc1c(cc(cc1F)OC)F 271570a_100016259895_100011218311 [0,2,0,0,0,0|0,0,2]=4 13647 B13R1.3945 CCNc1c(cc(cc1Br)CC)Br 34a_200009991046_100000210202 [0,2,0,0,0,0|2,0,0]=4 13648 B13R1.3945 CCNc1c(cc(cc1Br)OC)Br 34a_100009997310_100000210202 [0,2,0,0,0,0|1,0,0]=3 13649 B13R1.3945 CCNc1c(cc(cc1Br)OC)C 34a_200011010636_100000210202 [0,2,0,0,0,0|1,0,0]=3 13650 B13R1.3945 CCNc1c(cc(cc1C)OC)C 34a_100009848961_100000210202 [0,2,0,0,0,0|1,0,0]=3 13651 B13R1.3945 CCNc1c(cc(cc1Cl)OC)Cl 34a_100000074854_100000210202 [0,2,0,0,0,0|1,0,0]=3 13652 B13R1.3945 CCNc1c(cc(cc1F)OC)F 34a_100011383474_100000210202 [0,2,0,0,0,0|1,0,0]=3 13653 B13R1.3945 CCOc1c(cc(cc1Br)NC)Cl 34a_200010126271_200000210301 [0,2,0,0,0,0|2,0,0]=4 13654 B13R1.3945 CCOc1c(cc(cc1Br)NC)Cl 7a_200010126271_200000210301 [0,2,0,0,0,0|2,0,0]=4 13655 B13R1.3945 CCOc1c(cc(cc1Br)N[13CH3])Cl 34a_200010126271_200025704644 [0,2,0,0,0,0|2,0,0]=4 13656 B13R1.3945 CCOc1c(cc(cc1Br)N[13CH3])Cl 7a_200010126271_200025704644 [0,2,0,0,0,0|2,0,0]=4 13657 B13R1.3945 CCOc1c(cc(cc1Br)OC)N 34a_200010008348_100000210202 [0,2,0,0,0,0|1,0,0]=3 13658 B13R1.3945 CCOc1c(cc(cc1C)OC)C 34a_100010658422_100000210202 [0,2,0,0,0,0|1,0,0]=3 13659 B13R1.3945 CCOc1c(cc(cc1C)OC)C 7a_100010658422_100000210202 [0,2,0,0,0,0|1,0,0]=3 13660 B13R1.3945 CCOc1c(cc(cc1F)CC)F 34a_200011105053_100000210202 [0,2,0,0,0,0|2,0,0]=4 13661 B13R1.3945 CCOc1c(cc(cc1F)CC)F 7a_200011105053_100000210202 [0,2,0,0,0,0|2,0,0]=4 13662 B13R1.3945 CCOc1c(cc(cc1F)NC)F 34a_100011396735_200000210301 [0,2,0,0,0,0|2,0,0]=4 13663 B13R1.3945 CCOc1c(cc(cc1F)NC)F 7a_100011396735_200000210301 [0,2,0,0,0,0|2,0,0]=4 13664 B13R1.3945 CCOc1c(cc(cc1F)N[13CH3])F 34a_100011396735_200025704644 [0,2,0,0,0,0|2,0,0]=4 13665 B13R1.3945 CCOc1c(cc(cc1F)N[13CH3])F 7a_100011396735_200025704644 [0,2,0,0,0,0|2,0,0]=4 13666 B13R1.3945 CCOc1c(cc(cc1F)OC)F 34a_100000061417_200000210301 [0,2,0,0,0,0|1,0,0]=3 13667 B13R1.3945 CCOc1c(cc(cc1F)OC)F 34a_100000062060_100000210202 [0,2,0,0,0,0|1,0,0]=3 13668 B13R1.3945 CCOc1c(cc(cc1F)OC)F 7a_100000061417_200000210301 [0,2,0,0,0,0|1,0,0]=3 13669 B13R1.3945 CCOc1c(cc(cc1F)OC)F 7a_100000062060_100000210202 [0,2,0,0,0,0|1,0,0]=3 13670 B13R1.3945 CCOc1c(cc(cc1F)O[13CH3])F 34a_100000061417_200025704644 [0,2,0,0,0,0|1,0,0]=3 13671 B13R1.3945 CCOc1c(cc(cc1F)O[13CH3])F 7a_100000061417_200025704644 [0,2,0,0,0,0|1,0,0]=3 13672 B13R1.3945 CCOc1c(cc(cc1F)SC)F 62a_200000210301_200010078527 [0,2,0,0,0,0|1,1,0]=4 13673 B13R1.3945 CCOc1c(cc(cc1F)SC)F 62a_200010078527_200000210301 [0,2,0,0,0,0|1,1,0]=4 13674 B13R1.3945 CCOc1c(cc(cc1F)S[13CH3])F 62a_200010078527_200025704644 [0,2,0,0,0,0|1,1,0]=4 13675 B13R1.3945 CCOc1c(cc(cc1F)S[13CH3])F 62a_200025704644_200010078527 [0,2,0,0,0,0|1,1,0]=4 13676 B13R1.3945 CCSc1c(cc(cc1C)OC)C 62a_100000210202_100012160682 [0,2,0,0,0,0|1,0,0]=3 13677 B13R1.3945 CCSc1c(cc(cc1C)OC)C 62a_100012160682_100000210202 [0,2,0,0,0,0|1,0,0]=3 13678 B13R1.3945 CCSc1c(cc(cc1F)CC)F 62a_100000210202_200160481119 [0,2,0,0,0,0|2,0,0]=4 13679 B13R1.3945 CCSc1c(cc(cc1F)CC)F 62a_200160481119_100000210202 [0,2,0,0,0,0|2,0,0]=4 13680 B13R1.3945 CCSc1c(cc(cc1F)OC)F 62a_100000210202_100011218311 [0,2,0,0,0,0|1,0,0]=3 13681 B13R1.3945 CCSc1c(cc(cc1F)OC)F 62a_100011218311_100000210202 [0,2,0,0,0,0|1,0,0]=3 13682 B13R1.3945 CCc1cc(c(c(c1)F)CNC)F 26a_100102657272_200011105053 [0,2,0,0,0,0|2,0,0]=4 13683 B13R1.3945 CNCc1c(cc(cc1Br)OC)F 207a_100102657272_200021118581 [0,2,0,0,0,0|1,0,0]=3 13684 B13R1.3945 CNCc1c(cc(cc1Br)OC)F 270004a_106832991635_200021118581 [0,2,0,0,0,0|1,0,0]=3 13685 B13R1.3945 CNCc1c(cc(cc1C)OC)C 207a_100102657272_100000081723 [0,2,0,0,0,0|1,0,0]=3 13686 B13R1.3945 CNCc1c(cc(cc1C)OC)C 270004a_106832991635_100000081723 [0,2,0,0,0,0|1,0,0]=3 13687 B13R1.3945 CNCc1c(cc(cc1Cl)OC)Cl 207a_100102657272_100010254371 [0,2,0,0,0,0|1,0,0]=3 13688 B13R1.3945 CNCc1c(cc(cc1Cl)OC)Cl 270004a_106832991635_100010254371 [0,2,0,0,0,0|1,0,0]=3 13689 B13R1.3945 CNCc1c(cc(cc1Cl)SC)Cl 207a_100102657272_200010990136 [0,2,0,0,0,0|1,1,0]=4 13690 B13R1.3945 CNCc1c(cc(cc1Cl)SC)Cl 270004a_106832991635_200010990136 [0,2,0,0,0,0|1,1,0]=4 13691 B13R1.3945 CNCc1c(cc(cc1F)OC)F 207a_100102657272_100011830392 [0,2,0,0,0,0|1,0,0]=3 13692 B13R1.3945 CNCc1c(cc(cc1F)OC)F 2230a_106832991635_100011260758 [0,2,0,0,0,0|1,0,0]=3 13693 B13R1.3945 CNCc1c(cc(cc1F)OC)F 270004a_106832991635_100011830392 [0,2,0,0,0,0|1,0,0]=3 13694 B13R1.3945 CNCc1c(cc(cc1F)OC)F 34a_100102657272_100011260758 [0,2,0,0,0,0|1,0,0]=3 13695 B13R1.3945 CNCc1c(cc(cc1F)OC)F 34a_103624757405_200000210301 [0,2,0,0,0,0|1,0,0]=3 13696 B13R1.3945 CNCc1c(cc(cc1F)OC)F 7a_106832991635_100011260758 [0,2,0,0,0,0|1,0,0]=3 13697 B13R1.3945 COCc1c(cc(cc1F)OC)F 34a_100138415774_100011260758 [0,2,0,0,0,0|1,0,0]=3 13698 B13R1.3945 COCc1c(cc(cc1F)OC)F 34a_200011982762_200000210301 [0,2,0,0,0,0|1,0,0]=3 13699 B13R1.3945 COCc1c(cc(cc1F)OC)F 7a_200011982762_200000210301 [0,2,0,0,0,0|1,0,0]=3 13700 B13R1.3945 COCc1c(cc(cc1F)SC)F 62a_200000210301_202126162168 [0,2,0,0,0,0|1,1,0]=4 13701 B13R1.3945 COCc1c(cc(cc1F)SC)F 62a_202126162168_200000210301 [0,2,0,0,0,0|1,1,0]=4 13702 B13R1.3945 COCc1c(cc(cc1F)S[13CH3])F 62a_200025704644_202126162168 [0,2,0,0,0,0|1,1,0]=4 13703 B13R1.3945 COCc1c(cc(cc1F)S[13CH3])F 62a_202126162168_200025704644 [0,2,0,0,0,0|1,1,0]=4 13704 B13R1.3945 COc1cc(c(c(c1)Br)NCF)Br 34a_100009997310_100015361967 [0,2,0,0,0,0|2,0,0]=4 13705 B13R1.3945 COc1cc(c(c(c1)Br)NCF)C 34a_200011010636_100015361967 [0,2,0,0,0,0|2,0,0]=4 13706 B13R1.3945 COc1cc(c(c(c1)Br)OCF)N 34a_200010008348_100015361967 [0,2,0,0,0,0|2,0,0]=4 13707 B13R1.3945 COc1cc(c(c(c1)C)NCF)C 34a_100009848961_100015361967 [0,2,0,0,0,0|2,0,0]=4 13708 B13R1.3945 COc1cc(c(c(c1)C)OCF)C 34a_100010658422_100015361967 [0,2,0,0,0,0|2,0,0]=4 13709 B13R1.3945 COc1cc(c(c(c1)C)OCF)C 7a_100010658422_100015361967 [0,2,0,0,0,0|2,0,0]=4 13710 B13R1.3945 COc1cc(c(c(c1)C)SCF)C 62a_100012160682_100015361967 [0,2,0,0,0,0|2,0,0]=4 13711 B13R1.3945 COc1cc(c(c(c1)C)SCF)C 62a_100015361967_100012160682 [0,2,0,0,0,0|2,0,0]=4 13712 B13R1.3945 COc1cc(c(c(c1)Cl)NCF)Cl 34a_100000074854_100015361967 [0,2,0,0,0,0|2,0,0]=4 13713 B13R1.3945 COc1cc(c(c(c1)F)CN[13CH3])F 34a_103624757405_200025704644 [0,2,0,0,0,0|1,0,0]=3 13714 B13R1.3945 COc1cc(c(c(c1)F)CO[13CH3])F 34a_200011982762_200025704644 [0,2,0,0,0,0|1,0,0]=3 13715 B13R1.3945 COc1cc(c(c(c1)F)CO[13CH3])F 7a_200011982762_200025704644 [0,2,0,0,0,0|1,0,0]=3 13716 B13R1.3945 COc1cc(c(c(c1)F)CSC)F 62a_100011260758_200000210301 [0,2,0,0,0,0|1,0,0]=3 13717 B13R1.3945 COc1cc(c(c(c1)F)CSC)F 62a_200000210301_100011260758 [0,2,0,0,0,0|1,0,0]=3 13718 B13R1.3945 COc1cc(c(c(c1)F)CS[13CH3])F 62a_100011260758_200025704644 [0,2,0,0,0,0|1,0,0]=3 13719 B13R1.3945 COc1cc(c(c(c1)F)CS[13CH3])F 62a_200025704644_100011260758 [0,2,0,0,0,0|1,0,0]=3 13720 B13R1.3945 COc1cc(c(c(c1)F)NCF)F 34a_100011383474_100015361967 [0,2,0,0,0,0|2,0,0]=4 13721 B13R1.3945 COc1cc(c(c(c1)F)OCF)F 34a_100000062060_100015361967 [0,2,0,0,0,0|2,0,0]=4 13722 B13R1.3945 COc1cc(c(c(c1)F)OCF)F 7a_100000062060_100015361967 [0,2,0,0,0,0|2,0,0]=4 13723 B13R1.3945 COc1cc(c(c(c1)F)SCF)F 62a_100011218311_100015361967 [0,2,0,0,0,0|2,0,0]=4 13724 B13R1.3945 COc1cc(c(c(c1)F)SCF)F 62a_100015361967_100011218311 [0,2,0,0,0,0|2,0,0]=4 13725 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,2,0,0,0,0|0,0,2]=4 13726 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,2,0,0,0,0|0,0,2]=4 13727 B13R1.386 C=Cc1cc(ccc1OC)CC#N 271570a_100011290941_100011215974 [0,2,0,0,0,0|1,0,1]=4 13728 B13R1.386 C=Cc1cc(ccc1OC)CCN 271570a_100011290941_103549771065 [0,2,0,0,0,0|1,0,0]=3 13729 B13R1.386 C=Cc1cc(ccc1OC)CCO 271570a_100011290941_100011962876 [0,2,0,0,0,0|1,0,0]=3 13730 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [0,2,0,0,0,0|0,0,2]=4 13731 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [0,2,0,0,0,0|0,0,2]=4 13732 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,2,0,0,0,0|0,0,2]=4 13733 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [0,2,0,0,0,0|0,0,2]=4 13734 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [0,2,0,0,0,0|0,0,2]=4 13735 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,2,0,0,0,0|0,0,2]=4 13736 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,2,0,0,0,0|0,0,2]=4 13737 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,2,0,0,0,0|0,0,2]=4 13738 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,2,0,0,0,0|0,0,2]=4 13739 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,2,0,0,0,0|0,0,0]=2 13740 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,2,0,0,0,0|0,0,0]=2 13741 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,2,0,0,0,0|0,0,0]=2 13742 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,2,0,0,0,0|0,0,0]=2 13743 B13R1.386 CCNc1ccc(c(c1)C#N)OC 34a_100011204338_100000210202 [0,2,0,0,0,0|1,0,0]=3 13744 B13R1.386 CCNc1ccc(c(c1)C#N)OC 7a_100011204338_100000210202 [0,2,0,0,0,0|1,0,0]=3 13745 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,2,0,0,0,0|1,0,0]=3 13746 B13R1.386 CCOc1ccc(c(c1)C=O)SC 62a_100012345016_200000210301 [0,2,0,0,0,0|1,1,0]=4 13747 B13R1.386 CCOc1ccc(c(c1)C=O)SC 62a_200000210301_100012345016 [0,2,0,0,0,0|1,1,0]=4 13748 B13R1.386 CCOc1ccc(c(c1)C=O)S[13CH3] 62a_100012345016_200025704644 [0,2,0,0,0,0|1,1,0]=4 13749 B13R1.386 CCOc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100012345016 [0,2,0,0,0,0|1,1,0]=4 13750 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,2,0,0,0,0|1,0,0]=3 13751 B13R1.386 CCSc1ccc(c(c1)C#N)NC 62a_100000210202_100013037436 [0,2,0,0,0,0|2,0,0]=4 13752 B13R1.386 CCSc1ccc(c(c1)C#N)OC 62a_100000210202_100000188252 [0,2,0,0,0,0|1,0,0]=3 13753 B13R1.386 CCSc1ccc(c(c1)C=O)OC 62a_100000170026_100000210202 [0,2,0,0,0,0|1,0,0]=3 13754 B13R1.386 CCSc1ccc(c(c1)C=O)OC 62a_100000210202_100000170026 [0,2,0,0,0,0|1,0,0]=3 13755 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_100000210202_200010179862 [0,2,0,0,0,0|1,0,0]=3 13756 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210202 [0,2,0,0,0,0|1,0,0]=3 13757 B13R1.386 CCSc1ccc(c(c1)CN)OC 62a_100000210202_100000690498 [0,2,0,0,0,0|1,0,0]=3 13758 B13R1.386 CCSc1ccc(c(c1)CN)OC 62a_100000690498_100000210202 [0,2,0,0,0,0|1,0,0]=3 13759 B13R1.386 CCSc1ccc(c(c1)CO)CC 62a_100000210202_100010766240 [0,2,0,0,0,0|2,0,0]=4 13760 B13R1.386 CCSc1ccc(c(c1)CO)CC 62a_100010766240_100000210202 [0,2,0,0,0,0|2,0,0]=4 13761 B13R1.386 CCSc1ccc(c(c1)CO)OC 62a_100000204679_100000210202 [0,2,0,0,0,0|1,0,0]=3 13762 B13R1.386 CCSc1ccc(c(c1)CO)OC 62a_100000210202_100000204679 [0,2,0,0,0,0|1,0,0]=3 13763 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_100000210202_200010710398 [0,2,0,0,0,0|2,0,0]=4 13764 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210202 [0,2,0,0,0,0|2,0,0]=4 13765 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,2,0,0,0,0|1,0,0]=3 13766 B13R1.386 CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210202 [0,2,0,0,0,0|1,1,0]=4 13767 B13R1.386 CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210202 [0,2,0,0,0,0|1,0,0]=3 13768 B13R1.386 CCSc1ccc(c(n1)C#N)OC 62a_100000210202_100011093937 [0,2,0,0,0,0|2,0,0]=4 13769 B13R1.386 CCSc1ccc(c(n1)C=O)OC 62a_200010137984_100000210202 [0,2,0,0,0,0|2,0,0]=4 13770 B13R1.386 CCSc1ccc(c(n1)OC)OC 62a_100000210202_100010214848 [0,2,0,0,0,0|2,0,0]=4 13771 B13R1.386 CCSc1cnc(c(c1)C#N)OC 62a_100000210202_100011935052 [0,2,0,0,0,0|2,0,0]=4 13772 B13R1.386 CCSc1cnc(c(c1)C=O)OC 62a_100000210202_100009814609 [0,2,0,0,0,0|2,0,0]=4 13773 B13R1.386 CCSc1cnc(c(c1)C=O)OC 62a_100009814609_100000210202 [0,2,0,0,0,0|2,0,0]=4 13774 B13R1.386 CCSc1cnc(c(c1)CO)OC 62a_100000210202_100000695684 [0,2,0,0,0,0|2,0,0]=4 13775 B13R1.386 CCSc1cnc(c(c1)CO)OC 62a_100000695684_100000210202 [0,2,0,0,0,0|2,0,0]=4 13776 B13R1.386 CCSc1cnc(c(c1)OC)OC 62a_100000210202_100010234541 [0,2,0,0,0,0|2,0,0]=4 13777 B13R1.386 CCc1cc(ccc1OC)SCF 62a_100015361967_200010179862 [0,2,0,0,0,0|2,0,0]=4 13778 B13R1.386 CCc1cc(ccc1OC)SCF 62a_200010179862_100015361967 [0,2,0,0,0,0|2,0,0]=4 13779 B13R1.386 CNCc1ccc(c(c1)CO)OC 207a_100102657272_100011361677 [0,2,0,0,0,0|1,0,0]=3 13780 B13R1.386 CNCc1ccc(c(c1)CO)OC 270004a_106832991635_100011361677 [0,2,0,0,0,0|1,0,0]=3 13781 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,2,0,0,0,0|1,0,0]=3 13782 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,2,0,0,0,0|1,0,0]=3 13783 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,2,0,0,0,0|1,0,0]=3 13784 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,2,0,0,0,0|1,0,0]=3 13785 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,2,0,0,0,0|1,0,0]=3 13786 B13R1.386 CNCc1ccc(c(c1)OC)SC 207a_100102657272_100000050949 [0,2,0,0,0,0|1,1,0]=4 13787 B13R1.386 CNCc1ccc(c(c1)OC)SC 270004a_106832991635_100000050949 [0,2,0,0,0,0|1,1,0]=4 13788 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,2,0,0,0,0|1,0,0]=3 13789 B13R1.386 CNCc1cnc(c(c1)OC)OC 207a_100102657272_100000117638 [0,2,0,0,0,0|2,0,0]=4 13790 B13R1.386 CNCc1cnc(c(c1)OC)OC 270004a_106832991635_100000117638 [0,2,0,0,0,0|2,0,0]=4 13791 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,2,0,0,0,0|1,0,0]=3 13792 B13R1.386 COCc1ccc(c(n1)C#N)OC 7a_200021219817_200000210301 [0,2,0,0,0,0|2,0,0]=4 13793 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,2,0,0,0,0|1,0,1]=4 13794 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,2,0,0,0,0|1,0,0]=3 13795 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,2,0,0,0,0|1,0,0]=3 13796 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,2,0,0,0,0|1,0,0]=3 13797 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,2,0,0,0,0|1,0,0]=3 13798 B13R1.386 COc1ccc(cc1C#N)NCF 34a_100011204338_100015361967 [0,2,0,0,0,0|2,0,0]=4 13799 B13R1.386 COc1ccc(cc1C#N)NCF 7a_100011204338_100015361967 [0,2,0,0,0,0|2,0,0]=4 13800 B13R1.386 COc1ccc(cc1C#N)SCF 62a_100015361967_100000188252 [0,2,0,0,0,0|2,0,0]=4 13801 B13R1.386 COc1ccc(cc1C=O)SCF 62a_100000170026_100015361967 [0,2,0,0,0,0|2,0,0]=4 13802 B13R1.386 COc1ccc(cc1C=O)SCF 62a_100015361967_100000170026 [0,2,0,0,0,0|2,0,0]=4 13803 B13R1.386 COc1ccc(cc1CN)SCF 62a_100000690498_100015361967 [0,2,0,0,0,0|2,0,0]=4 13804 B13R1.386 COc1ccc(cc1CN)SCF 62a_100015361967_100000690498 [0,2,0,0,0,0|2,0,0]=4 13805 B13R1.386 COc1ccc(cc1CO)SCF 62a_100000204679_100015361967 [0,2,0,0,0,0|2,0,0]=4 13806 B13R1.386 COc1ccc(cc1CO)SCF 62a_100015361967_100000204679 [0,2,0,0,0,0|2,0,0]=4 13807 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,2,0,0,0,0|1,0,1]=4 13808 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,2,0,0,0,0|1,0,0]=3 13809 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,2,0,0,0,0|1,0,0]=3 13810 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,2,0,0,0,0|1,0,0]=3 13811 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,2,0,0,0,0|1,0,0]=3 13812 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,2,0,0,0,0|1,0,0]=3 13813 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,2,0,0,0,0|1,0,0]=3 13814 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,2,0,0,0,0|1,0,0]=3 13815 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,2,0,0,0,0|1,0,0]=3 13816 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,2,0,0,0,0|1,0,0]=3 13817 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,2,0,0,0,0|2,0,0]=4 13818 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,2,0,0,0,0|2,0,0]=4 13819 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,2,0,0,0,0|2,0,0]=4 13820 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,2,0,0,0,0|1,0,0]=3 13821 B13R1.386 COc1ccc(cc1SC)CC#N 62a_100011215974_200000210301 [0,2,0,0,0,0|1,0,1]=4 13822 B13R1.386 COc1ccc(cc1SC)CC#N 62a_200000210301_100011215974 [0,2,0,0,0,0|1,0,1]=4 13823 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [0,2,0,0,0,0|1,0,0]=3 13824 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [0,2,0,0,0,0|1,0,0]=3 13825 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [0,2,0,0,0,0|1,0,0]=3 13826 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [0,2,0,0,0,0|1,0,0]=3 13827 B13R1.386 COc1ccc(cc1SC)SCF 62a_200009892704_100015361967 [0,2,0,0,0,0|2,0,0]=4 13828 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_100011215974_200025704644 [0,2,0,0,0,0|1,0,1]=4 13829 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_200025704644_100011215974 [0,2,0,0,0,0|1,0,1]=4 13830 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [0,2,0,0,0,0|1,0,0]=3 13831 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [0,2,0,0,0,0|1,0,0]=3 13832 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [0,2,0,0,0,0|1,0,0]=3 13833 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [0,2,0,0,0,0|1,0,0]=3 13834 B13R1.386 COc1ccc(nc1C#N)CO[13CH3] 7a_200021219817_200025704644 [0,2,0,0,0,0|2,0,0]=4 13835 B13R1.4031 CC=Cc1cc(c(c(c1)Br)OC)C 271570a_100016259895_100010997178 [0,2,0,0,0,0|0,0,2]=4 13836 B13R1.4031 CC=Cc1cc(c(c(c1)C)OC)C 271570a_100016259895_100000211903 [0,2,0,0,0,0|0,0,2]=4 13837 B13R1.4031 CC=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100016259895_200010110313 [0,2,0,0,0,0|0,0,2]=4 13838 B13R1.4031 CC=Cc1cc(c(c(c1)F)OC)F 271570a_100016259895_100009813559 [0,2,0,0,0,0|0,0,2]=4 13839 B13R1.4031 CC=Cc1cc(c(c(c1)F)OC)N 271570a_100016259895_200010245146 [0,2,0,0,0,0|0,0,2]=4 13840 B13R1.4031 CCCc1cc(c(c(c1)Br)NC)Br 34a_200009813698_200000210301 [0,2,0,0,0,0|1,0,0]=3 13841 B13R1.4031 CCCc1cc(c(c(c1)Br)N[13CH3])Br 34a_200009813698_200025704644 [0,2,0,0,0,0|1,0,0]=3 13842 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)Br 34a_100011274243_100000210202 [0,2,0,0,0,0|1,0,0]=3 13843 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)C 34a_100010071304_100000210202 [0,2,0,0,0,0|1,0,0]=3 13844 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)C 7a_100010071304_100000210202 [0,2,0,0,0,0|1,0,0]=3 13845 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)F 34a_200009816006_100000210202 [0,2,0,0,0,0|1,0,0]=3 13846 B13R1.4031 CCNc1cc(c(c(c1)C)OC)C 2230a_100000187574_100000210202 [0,2,0,0,0,0|1,0,0]=3 13847 B13R1.4031 CCNc1cc(c(c(c1)C)OC)C 34a_100000187574_100000210202 [0,2,0,0,0,0|1,0,0]=3 13848 B13R1.4031 CCNc1cc(c(c(c1)C)OC)C 7a_100000187574_100000210202 [0,2,0,0,0,0|1,0,0]=3 13849 B13R1.4031 CCNc1cc(c(c(c1)Cl)OC)Cl 34a_100000749172_100000210202 [0,2,0,0,0,0|1,0,0]=3 13850 B13R1.4031 CCNc1cc(c(c(c1)Cl)OC)Cl 7a_100000749172_100000210202 [0,2,0,0,0,0|1,0,0]=3 13851 B13R1.4031 CCNc1cc(c(c(c1)Cl)OC)F 34a_200000094053_100000210202 [0,2,0,0,0,0|1,0,0]=3 13852 B13R1.4031 CCNc1cc(c(c(c1)Cl)OC)F 7a_200000094053_100000210202 [0,2,0,0,0,0|1,0,0]=3 13853 B13R1.4031 CCNc1cc(c(c(c1)F)OC)F 34a_100000742718_100000210202 [0,2,0,0,0,0|1,0,0]=3 13854 B13R1.4031 CCNc1cc(c(c(c1)F)OC)F 7a_100000742718_100000210202 [0,2,0,0,0,0|1,0,0]=3 13855 B13R1.4031 CCOc1cc(c(c(c1)C)OC)C 34a_100009845414_100000210202 [0,2,0,0,0,0|1,0,0]=3 13856 B13R1.4031 CCOc1cc(c(c(c1)C)OC)C 7a_100009845414_100000210202 [0,2,0,0,0,0|1,0,0]=3 13857 B13R1.4031 CCOc1cc(c(c(c1)Cl)OC)F 34a_100000061510_100000210202 [0,2,0,0,0,0|1,0,0]=3 13858 B13R1.4031 CCOc1cc(c(c(c1)Cl)OC)F 7a_100000061510_100000210202 [0,2,0,0,0,0|1,0,0]=3 13859 B13R1.4031 CCOc1cc(c(c(c1)F)OC)F 34a_100000062058_100000210202 [0,2,0,0,0,0|1,0,0]=3 13860 B13R1.4031 CCOc1cc(c(c(c1)F)OC)F 7a_100000062058_100000210202 [0,2,0,0,0,0|1,0,0]=3 13861 B13R1.4031 CCSc1cc(c(c(c1)Br)OC)C 62a_100000210202_100010997178 [0,2,0,0,0,0|1,0,0]=3 13862 B13R1.4031 CCSc1cc(c(c(c1)Br)OC)C 62a_100010997178_100000210202 [0,2,0,0,0,0|1,0,0]=3 13863 B13R1.4031 CCSc1cc(c(c(c1)C)OC)C 62a_100000210202_100000211903 [0,2,0,0,0,0|1,0,0]=3 13864 B13R1.4031 CCSc1cc(c(c(c1)C)OC)C 62a_100000211903_100000210202 [0,2,0,0,0,0|1,0,0]=3 13865 B13R1.4031 CCSc1cc(c(c(c1)Cl)OC)Cl 62a_100000210202_200010110313 [0,2,0,0,0,0|1,0,0]=3 13866 B13R1.4031 CCSc1cc(c(c(c1)Cl)OC)Cl 62a_200010110313_100000210202 [0,2,0,0,0,0|1,0,0]=3 13867 B13R1.4031 CCSc1cc(c(c(c1)F)OC)F 62a_100000210202_100009813559 [0,2,0,0,0,0|1,0,0]=3 13868 B13R1.4031 CCSc1cc(c(c(c1)F)OC)F 62a_100009813559_100000210202 [0,2,0,0,0,0|1,0,0]=3 13869 B13R1.4031 CCSc1cc(c(c(c1)F)OC)N 62a_100000210202_200010245146 [0,2,0,0,0,0|1,0,0]=3 13870 B13R1.4031 CCSc1cc(c(c(c1)F)OC)N 62a_200010245146_100000210202 [0,2,0,0,0,0|1,0,0]=3 13871 B13R1.4031 CCSc1cc(c(c(c1)F)SC)F 62a_100000210202_200010732561 [0,2,0,0,0,0|1,1,0]=4 13872 B13R1.4031 CCSc1cc(c(c(c1)F)SC)F 62a_200010732561_100000210202 [0,2,0,0,0,0|1,1,0]=4 13873 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Br 207a_100102657272_100000188323 [0,2,0,0,0,0|1,0,0]=3 13874 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Br 270004a_106832991635_100000188323 [0,2,0,0,0,0|1,0,0]=3 13875 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Cl 207a_100102657272_200009816618 [0,2,0,0,0,0|1,0,0]=3 13876 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Cl 270004a_106832991635_200009816618 [0,2,0,0,0,0|1,0,0]=3 13877 B13R1.4031 CNCc1cc(c(c(c1)C)OC)C 207a_100102657272_100000744411 [0,2,0,0,0,0|1,0,0]=3 13878 B13R1.4031 CNCc1cc(c(c(c1)C)OC)C 270004a_106832991635_100000744411 [0,2,0,0,0,0|1,0,0]=3 13879 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)Cl 207a_100102657272_200000015791 [0,2,0,0,0,0|1,0,0]=3 13880 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)Cl 270004a_106832991635_200000015791 [0,2,0,0,0,0|1,0,0]=3 13881 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 207a_100102657272_100000050411 [0,2,0,0,0,0|1,0,0]=3 13882 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 2230a_106832991635_100009815999 [0,2,0,0,0,0|1,0,0]=3 13883 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 26a_100102657272_100000061510 [0,2,0,0,0,0|1,0,0]=3 13884 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 270004a_106832991635_100000050411 [0,2,0,0,0,0|1,0,0]=3 13885 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 34a_100102657272_100009815999 [0,2,0,0,0,0|1,0,0]=3 13886 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)F 7a_106832991635_100009815999 [0,2,0,0,0,0|1,0,0]=3 13887 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)O 270004a_106832991635_200010620221 [0,2,0,0,0,0|1,0,0]=3 13888 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 207a_100102657272_100011830402 [0,2,0,0,0,0|1,0,0]=3 13889 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 2230a_106832991635_100011830405 [0,2,0,0,0,0|1,0,0]=3 13890 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 270004a_106832991635_100011830402 [0,2,0,0,0,0|1,0,0]=3 13891 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 34a_100102657272_100011830405 [0,2,0,0,0,0|1,0,0]=3 13892 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 34a_114929131370_200000210301 [0,2,0,0,0,0|1,0,0]=3 13893 B13R1.4031 CNCc1cc(c(c(c1)F)OC)F 7a_106832991635_100011830405 [0,2,0,0,0,0|1,0,0]=3 13894 B13R1.4031 COCc1cc(c(c(c1)Cl)OC)F 34a_100138415774_100009815999 [0,2,0,0,0,0|1,0,0]=3 13895 B13R1.4031 COCc1cc(c(c(c1)F)OC)F 34a_100011997079_200000210301 [0,2,0,0,0,0|1,0,0]=3 13896 B13R1.4031 COCc1cc(c(c(c1)F)OC)F 34a_100138415774_100011830405 [0,2,0,0,0,0|1,0,0]=3 13897 B13R1.4031 COCc1cc(c(c(c1)F)OC)F 7a_100011997079_200000210301 [0,2,0,0,0,0|1,0,0]=3 13898 B13R1.4031 COCc1cc(c(c(c1)I)OC)F 34a_100020751559_200000210301 [0,2,0,0,0,0|1,0,0]=3 13899 B13R1.4031 COCc1cc(c(c(c1)I)OC)F 7a_100020751559_200000210301 [0,2,0,0,0,0|1,0,0]=3 13900 B13R1.4031 COc1c(cc(cc1Br)NCF)Br 34a_100011274243_100015361967 [0,2,0,0,0,0|2,0,0]=4 13901 B13R1.4031 COc1c(cc(cc1Br)NCF)C 34a_100010071304_100015361967 [0,2,0,0,0,0|2,0,0]=4 13902 B13R1.4031 COc1c(cc(cc1Br)NCF)C 7a_100010071304_100015361967 [0,2,0,0,0,0|2,0,0]=4 13903 B13R1.4031 COc1c(cc(cc1Br)NCF)F 34a_200009816006_100015361967 [0,2,0,0,0,0|2,0,0]=4 13904 B13R1.4031 COc1c(cc(cc1Br)SCF)C 62a_100010997178_100015361967 [0,2,0,0,0,0|2,0,0]=4 13905 B13R1.4031 COc1c(cc(cc1Br)SCF)C 62a_100015361967_100010997178 [0,2,0,0,0,0|2,0,0]=4 13906 B13R1.4031 COc1c(cc(cc1C)NCF)C 34a_100000187574_100015361967 [0,2,0,0,0,0|2,0,0]=4 13907 B13R1.4031 COc1c(cc(cc1C)NCF)C 7a_100000187574_100015361967 [0,2,0,0,0,0|2,0,0]=4 13908 B13R1.4031 COc1c(cc(cc1C)OCF)C 34a_100009845414_100015361967 [0,2,0,0,0,0|2,0,0]=4 13909 B13R1.4031 COc1c(cc(cc1C)OCF)C 7a_100009845414_100015361967 [0,2,0,0,0,0|2,0,0]=4 13910 B13R1.4031 COc1c(cc(cc1C)SCF)C 62a_100000211903_100015361967 [0,2,0,0,0,0|2,0,0]=4 13911 B13R1.4031 COc1c(cc(cc1C)SCF)C 62a_100015361967_100000211903 [0,2,0,0,0,0|2,0,0]=4 13912 B13R1.4031 COc1c(cc(cc1Cl)CSC)F 62a_100009815999_200000210301 [0,2,0,0,0,0|1,0,0]=3 13913 B13R1.4031 COc1c(cc(cc1Cl)CSC)F 62a_200000210301_100009815999 [0,2,0,0,0,0|1,0,0]=3 13914 B13R1.4031 COc1c(cc(cc1Cl)CS[13CH3])F 62a_100009815999_200025704644 [0,2,0,0,0,0|1,0,0]=3 13915 B13R1.4031 COc1c(cc(cc1Cl)CS[13CH3])F 62a_200025704644_100009815999 [0,2,0,0,0,0|1,0,0]=3 13916 B13R1.4031 COc1c(cc(cc1Cl)NCF)Cl 34a_100000749172_100015361967 [0,2,0,0,0,0|2,0,0]=4 13917 B13R1.4031 COc1c(cc(cc1Cl)NCF)Cl 7a_100000749172_100015361967 [0,2,0,0,0,0|2,0,0]=4 13918 B13R1.4031 COc1c(cc(cc1Cl)NCF)F 34a_200000094053_100015361967 [0,2,0,0,0,0|2,0,0]=4 13919 B13R1.4031 COc1c(cc(cc1Cl)NCF)F 7a_200000094053_100015361967 [0,2,0,0,0,0|2,0,0]=4 13920 B13R1.4031 COc1c(cc(cc1Cl)OCF)F 34a_100000061510_100015361967 [0,2,0,0,0,0|2,0,0]=4 13921 B13R1.4031 COc1c(cc(cc1Cl)OCF)F 7a_100000061510_100015361967 [0,2,0,0,0,0|2,0,0]=4 13922 B13R1.4031 COc1c(cc(cc1Cl)SCF)Cl 62a_100015361967_200010110313 [0,2,0,0,0,0|2,0,0]=4 13923 B13R1.4031 COc1c(cc(cc1Cl)SCF)Cl 62a_200010110313_100015361967 [0,2,0,0,0,0|2,0,0]=4 13924 B13R1.4031 COc1c(cc(cc1F)CN[13CH3])F 34a_114929131370_200025704644 [0,2,0,0,0,0|1,0,0]=3 13925 B13R1.4031 COc1c(cc(cc1F)CO[13CH3])F 34a_100011997079_200025704644 [0,2,0,0,0,0|1,0,0]=3 13926 B13R1.4031 COc1c(cc(cc1F)CO[13CH3])F 7a_100011997079_200025704644 [0,2,0,0,0,0|1,0,0]=3 13927 B13R1.4031 COc1c(cc(cc1F)CSC)F 62a_100011830405_200000210301 [0,2,0,0,0,0|1,0,0]=3 13928 B13R1.4031 COc1c(cc(cc1F)CSC)F 62a_200000210301_100011830405 [0,2,0,0,0,0|1,0,0]=3 13929 B13R1.4031 COc1c(cc(cc1F)CS[13CH3])F 62a_100011830405_200025704644 [0,2,0,0,0,0|1,0,0]=3 13930 B13R1.4031 COc1c(cc(cc1F)CS[13CH3])F 62a_200025704644_100011830405 [0,2,0,0,0,0|1,0,0]=3 13931 B13R1.4031 COc1c(cc(cc1F)NCF)F 34a_100000742718_100015361967 [0,2,0,0,0,0|2,0,0]=4 13932 B13R1.4031 COc1c(cc(cc1F)NCF)F 7a_100000742718_100015361967 [0,2,0,0,0,0|2,0,0]=4 13933 B13R1.4031 COc1c(cc(cc1F)OCF)F 34a_100000062058_100015361967 [0,2,0,0,0,0|2,0,0]=4 13934 B13R1.4031 COc1c(cc(cc1F)OCF)F 7a_100000062058_100015361967 [0,2,0,0,0,0|2,0,0]=4 13935 B13R1.4031 COc1c(cc(cc1F)SCF)F 62a_100009813559_100015361967 [0,2,0,0,0,0|2,0,0]=4 13936 B13R1.4031 COc1c(cc(cc1F)SCF)F 62a_100015361967_100009813559 [0,2,0,0,0,0|2,0,0]=4 13937 B13R1.4031 COc1c(cc(cc1F)SCF)N 62a_100015361967_200010245146 [0,2,0,0,0,0|2,0,0]=4 13938 B13R1.4031 COc1c(cc(cc1F)SCF)N 62a_200010245146_100015361967 [0,2,0,0,0,0|2,0,0]=4 13939 B13R1.4031 COc1c(cc(cc1I)CO[13CH3])F 34a_100020751559_200025704644 [0,2,0,0,0,0|1,0,0]=3 13940 B13R1.4031 COc1c(cc(cc1I)CO[13CH3])F 7a_100020751559_200025704644 [0,2,0,0,0,0|1,0,0]=3 13941 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,0,1,1,0,0|0,0,2]=4 13942 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,0,1,1,0,0|2,0,0]=4 13943 B11R1.25 CNC(=O)C=CC1=CCCC1 11a_106832991635_100016262312 [0,0,1,1,0,0|2,0,0]=4 13944 B11R1.25 CNC(=O)C=CC1=CCCC1 1626a_100102657272_100016262312 [0,0,1,1,0,0|2,0,0]=4 13945 B11R1.25 CNC(=O)C=CC1=CCCC1 240690a_100102657272_100016262312 [0,0,1,1,0,0|2,0,0]=4 13946 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [0,0,1,1,0,0|1,0,1]=4 13947 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [0,0,1,1,0,0|1,0,1]=4 13948 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [0,0,1,1,0,0|1,0,1]=4 13949 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [0,0,1,1,0,0|1,0,1]=4 13950 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [0,0,1,1,0,0|1,0,1]=4 13951 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [1,0,0,1,0,0|1,0,0]=3 13952 B11R2.34 Brc1ccc(cn1)C2CC2 271570a_100011220607_100009814638 [1,0,0,1,0,0|2,0,0]=4 13953 B11R2.34 Brc1ccc(nc1)C2CC2 271570a_100011220607_100000686858 [1,0,0,1,0,0|2,0,0]=4 13954 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|0,0,0]=2 13955 B11R2.34 Cc1ccc(cn1)C2CC2 271570a_100011220607_100000751577 [1,0,0,1,0,0|1,0,0]=3 13956 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [1,0,0,1,0,0|1,0,0]=3 13957 B11R2.34 Cc1ccc(nn1)C2CC2 271570a_100011220607_100011450037 [1,0,0,1,0,0|2,0,0]=4 13958 B11R2.34 Cc1cnc(cn1)C2CC2 271570a_100011220607_100011999403 [1,0,0,1,0,0|2,0,0]=4 13959 B11R2.34 Cc1cnc(nc1)C2CC2 271570a_100011220607_100011825175 [1,0,0,1,0,0|2,0,0]=4 13960 B11R2.34 Cc1ncc(cn1)C2CC2 271570a_100011220607_100000686985 [1,0,0,1,0,0|2,0,0]=4 13961 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [1,0,0,1,0,0|1,0,0]=3 13962 B11R2.34 Clc1ccc(cn1)C2CC2 271570a_100011220607_100000034144 [1,0,0,1,0,0|2,0,0]=4 13963 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [1,0,0,1,0,0|2,0,0]=4 13964 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [1,0,0,1,0,0|1,0,0]=3 13965 B11R2.34 Fc1ccc(cn1)C2CC2 271570a_100011220607_100000748661 [1,0,0,1,0,0|2,0,0]=4 13966 B11R2.34 Fc1ccc(nc1)C2CC2 271570a_100011220607_100000744514 [1,0,0,1,0,0|2,0,0]=4 13967 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [1,0,0,1,0,0|1,0,0]=3 13968 B11R2.34 Nc1ccc(cn1)C2CC2 271570a_100011220607_100000187370 [1,0,0,1,0,0|2,0,0]=4 13969 B11R2.34 Nc1ccc(nc1)C2CC2 271570a_100011220607_100000744251 [1,0,0,1,0,0|2,0,0]=4 13970 B11R2.34 O=c1ccc(c[nH]1)C2CC2 271570a_100011220607_100000212171 [1,0,0,1,0,0|1,0,1]=4 13971 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|0,0,0]=2 13972 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|0,0,0]=2 13973 B11R2.34 Oc1ccc(cn1)C2CC2 271570a_203496583355_200000118129 [1,0,0,1,0,0|1,0,0]=3 13974 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [1,0,0,1,0,0|1,0,0]=3 13975 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [1,0,0,1,0,0|1,0,0]=3 13976 B11R2.34 Oc1ccc(nn1)C2CC2 271570a_203496583355_100000754422 [1,0,0,1,0,0|2,0,0]=4 13977 B11R2.34 Oc1cnc(cn1)C2CC2 271570a_203496583355_100012002519 [1,0,0,1,0,0|2,0,0]=4 13978 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_100011220607_100000730009 [1,0,0,1,0,0|2,0,0]=4 13979 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_203496583355_100009840968 [1,0,0,1,0,0|2,0,0]=4 13980 B11R2.34 Oc1ncc(cn1)C2CC2 271570a_203496583355_100009869053 [1,0,0,1,0,0|2,0,0]=4 13981 B11R2.34 [O-][n+]1ccc(cc1)C2CC2 271570a_100011220607_100000039755 [1,0,0,1,0,0|1,0,1]=4 13982 B11R2.36 Oc1cc2c(cn1)CCN2 271570a_203496583355_100020639910 [1,0,0,1,0,0|2,0,0]=4 13983 B11R2.36 Oc1cc2c(cn1)CNC2 271570a_203496583355_100020645637 [1,0,0,1,0,0|2,0,0]=4 13984 B11R2.36 Oc1cc2c(cn1)NCC2 271570a_203496583355_100009884275 [1,0,0,1,0,0|2,0,0]=4 13985 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [1,0,0,1,0,0|2,0,0]=4 13986 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,1,0,0|0,0,2]=4 13987 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,1,0,0|0,0,2]=4 13988 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|0,0,0]=2 13989 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [1,0,0,1,0,0|1,0,0]=3 13990 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,1,0,0|1,0,0]=3 13991 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [1,0,0,1,0,0|1,0,0]=3 13992 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [1,0,0,1,0,0|1,0,0]=3 13993 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|1,0,0]=3 13994 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,0]=3 13995 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|2,0,0]=4 13996 B11R2.36 Oc1ccc2c(n1)CCC2 271570a_203496583355_100000046531 [1,0,0,1,0,0|1,0,0]=3 13997 B11R2.36 Oc1ccc2c(n1)CCN2 271570a_203496583355_100009872833 [1,0,0,1,0,0|2,0,0]=4 13998 B11R2.36 Oc1ccc2c(n1)CNC2 271570a_203496583355_100016995040 [1,0,0,1,0,0|2,0,0]=4 13999 B11R2.36 Oc1cnc2c(c1)CCC2 271570a_203496583355_100000693888 [1,0,0,1,0,0|1,0,0]=3 14000 B11R2.36 Oc1cnc2c(c1)CCN2 271570a_203496583355_100009817725 [1,0,0,1,0,0|2,0,0]=4 14001 B11R2.36 Oc1cnc2c(c1)NCC2 271570a_203496583355_100000698607 [1,0,0,1,0,0|2,0,0]=4 14002 B11R2.36 Oc1ncc2c(n1)CCC2 271570a_203496583355_100009881048 [1,0,0,1,0,0|2,0,0]=4 14003 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|1,0,1]=4 14004 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [1,0,0,1,0,0|0,1,0]=3 14005 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [1,0,0,1,0,0|0,1,0]=3 14006 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [1,0,0,1,0,0|0,1,0]=3 14007 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [1,0,0,1,0,0|0,1,0]=3 14008 B11R2.21 CCc1cc(cs1)C2CC2 271570a_100011220607_100009846239 [0,0,0,1,1,0|2,0,0]=4 14009 B11R2.21 CCc1ccc(s1)C2CC2 271570a_100011220607_100009844052 [0,0,0,1,1,0|2,0,0]=4 14010 B11R2.21 COc1nc(cs1)C2CC2 271570a_100011220607_100000727839 [0,0,0,1,1,0|2,0,0]=4 14011 B11R2.21 COc1ncc(s1)C2CC2 271570a_100011220607_100000729428 [0,0,0,1,1,0|2,0,0]=4 14012 B11R2.21 CSc1cc(cs1)C2CC2 271570a_100011220607_200010256830 [0,0,0,1,1,0|1,1,0]=4 14013 B13R2.16 C=Cc1ccc(cc1)C2CC2N 271570a_100011290941_100000755575 [0,1,0,1,0,0|1,0,1]=4 14014 B13R2.16 CSc1ccc(cc1)C2CC2N 62a_100000755575_200000210301 [0,1,0,1,0,0|0,1,0]=3 14015 B13R2.16 CSc1ccc(cc1)C2CC2N 62a_200000210301_100000755575 [0,1,0,1,0,0|0,1,0]=3 14016 B13R2.16 [13CH3]Sc1ccc(cc1)C2CC2N 62a_100000755575_200025704644 [0,1,0,1,0,0|0,1,0]=3 14017 B13R2.16 [13CH3]Sc1ccc(cc1)C2CC2N 62a_200025704644_100000755575 [0,1,0,1,0,0|0,1,0]=3 14018 B13R2.184 C#Cc1ccc(cc1)NC2CC2 34a_100011215031_100000211595 [0,1,0,1,0,0|1,0,1]=4 14019 B13R2.184 C=Cc1ccc(cc1)NC2CC2 34a_100011218248_100000211595 [0,1,0,1,0,0|1,0,1]=4 14020 B13R2.184 C=Cc1ccc(cc1)OC2CC2 271570a_100011290941_100000704264 [0,1,0,1,0,0|1,0,1]=4 14021 B13R2.184 C=Cc1ccc(cc1)OC2CC2 34a_100000189437_100000211595 [0,1,0,1,0,0|1,0,1]=4 14022 B13R2.184 C=Cc1ccc(cc1)SC2CC2 62a_100000748128_100000211595 [0,1,0,1,0,0|1,0,1]=4 14023 B13R2.184 CCc1ccc(cc1)NC2CC2 34a_100000211069_100000211595 [0,1,0,1,0,0|1,0,0]=3 14024 B13R2.184 CCc1ccc(cc1)OC2CC2 34a_100000211359_100000211595 [0,1,0,1,0,0|1,0,0]=3 14025 B13R2.184 CCc1ccc(cc1)SC2CC2 62a_100011215824_100000211595 [0,1,0,1,0,0|1,0,0]=3 14026 B13R2.184 CCc1ccc(cn1)SC2CC2 62a_100009820025_100000211595 [0,1,0,1,0,0|2,0,0]=4 14027 B13R2.184 CCc1ccc(nc1)SC2CC2 62a_100009843584_100000211595 [0,1,0,1,0,0|2,0,0]=4 14028 B13R2.184 CNc1ccc(cc1)OC2CC2 34a_100000182112_100000211595 [0,1,0,1,0,0|1,0,0]=3 14029 B13R2.184 CNc1ccc(cc1)SC2CC2 62a_100000743151_100000211595 [0,1,0,1,0,0|1,0,0]=3 14030 B13R2.184 CNc1ccc(cn1)SC2CC2 62a_100000741341_100000211595 [0,1,0,1,0,0|2,0,0]=4 14031 B13R2.184 CNc1ccc(nc1)SC2CC2 62a_100000764248_100000211595 [0,1,0,1,0,0|2,0,0]=4 14032 B13R2.184 COc1ccc(cc1)NC2CC2 34a_100000184247_100000211595 [0,1,0,1,0,0|0,0,0]=2 14033 B13R2.184 COc1ccc(cc1)OC2CC2 34a_100000210503_100000211595 [0,1,0,1,0,0|0,0,0]=2 14034 B13R2.184 COc1ccc(cn1)OC2CC2 34a_100011934560_100000211595 [0,1,0,1,0,0|1,0,0]=3 14035 B13R2.184 COc1ccc(cn1)SC2CC2 62a_100000047065_100000211595 [0,1,0,1,0,0|1,0,0]=3 14036 B13R2.184 COc1ccc(nc1)OC2CC2 34a_100012002028_100000211595 [0,1,0,1,0,0|1,0,0]=3 14037 B13R2.184 COc1ccc(nc1)SC2CC2 62a_100000755202_100000211595 [0,1,0,1,0,0|1,0,0]=3 14038 B13R2.184 COc1ccc(nn1)NC2CC2 27a_100000212008_100010231723 [0,1,0,1,0,0|2,0,0]=4 14039 B13R2.184 COc1ccc(nn1)SC2CC2 62a_100009819040_100000211595 [0,1,0,1,0,0|2,0,0]=4 14040 B13R2.184 COc1cnc(cn1)SC2CC2 62a_100011998698_100000211595 [0,1,0,1,0,0|2,0,0]=4 14041 B13R2.184 COc1cnc(nc1)NC2CC2 27a_100000212008_100000069167 [0,1,0,1,0,0|2,0,0]=4 14042 B13R2.184 COc1cnc(nc1)SC2CC2 62a_100000069167_100000211595 [0,1,0,1,0,0|2,0,0]=4 14043 B13R2.184 COc1ncc(cn1)OC2CC2 34a_100000099601_100000211595 [0,1,0,1,0,0|2,0,0]=4 14044 B13R2.184 COc1ncc(cn1)SC2CC2 62a_100000686852_100000211595 [0,1,0,1,0,0|2,0,0]=4 14045 B13R2.184 CSc1ccc(cc1)NC2CC2 34a_100000212337_100000211595 [0,1,0,1,0,0|0,1,0]=3 14046 B13R2.184 CSc1ccc(cc1)OC2CC2 34a_100000211864_100000211595 [0,1,0,1,0,0|0,1,0]=3 14047 B13R2.184 CSc1ccc(cc1)OC2CC2 62a_100000704264_200000210301 [0,1,0,1,0,0|0,1,0]=3 14048 B13R2.184 CSc1ccc(cc1)OC2CC2 62a_200000210301_100000704264 [0,1,0,1,0,0|0,1,0]=3 14049 B13R2.184 CSc1ccc(cc1)SC2CC2 62a_100011263217_100000211595 [0,1,0,1,0,0|0,1,0]=3 14050 B13R2.184 CSc1ccc(cn1)SC2CC2 62a_100011408404_100000211595 [0,1,0,1,0,0|1,1,0]=4 14051 B13R2.184 CSc1ccc(nc1)NC2CC2 27a_100000212008_100009820866 [0,1,0,1,0,0|1,1,0]=4 14052 B13R2.184 CSc1ccc(nc1)NC2CC2 62a_100011242975_200000210301 [0,1,0,1,0,0|1,1,0]=4 14053 B13R2.184 CSc1ccc(nc1)NC2CC2 62a_200000210301_100011242975 [0,1,0,1,0,0|1,1,0]=4 14054 B13R2.184 CSc1ccc(nc1)SC2CC2 62a_100009820866_100000211595 [0,1,0,1,0,0|1,1,0]=4 14055 B13R2.184 FCc1ccc(cc1)SC2CC2 62a_100010268989_100000211595 [0,1,0,1,0,0|2,0,0]=4 14056 B13R2.184 N#Cc1ccc(cc1)NC2CC2 34a_100000185469_100000211595 [0,1,0,1,0,0|2,0,0]=4 14057 B13R2.184 N#Cc1ccc(cc1)OC2CC2 34a_100000210344_100000211595 [0,1,0,1,0,0|2,0,0]=4 14058 B13R2.184 NCc1ccc(cc1)OC2CC2 34a_100000185549_100000211595 [0,1,0,1,0,0|2,0,0]=4 14059 B13R2.184 NCc1ccc(cc1)SC2CC2 62a_100016989417_100000211595 [0,1,0,1,0,0|2,0,0]=4 14060 B13R2.184 NNc1ccc(cc1)SC2CC2 62a_100016988836_100000211595 [0,1,0,1,0,0|2,0,0]=4 14061 B13R2.184 O=Cc1ccc(cc1)SC2CC2 62a_100000188517_100000211595 [0,1,0,1,0,0|2,0,0]=4 14062 B13R2.184 OCc1ccc(cc1)NC2CC2 34a_100011215238_100000211595 [0,1,0,1,0,0|2,0,0]=4 14063 B13R2.184 OCc1ccc(cc1)OC2CC2 34a_100000211755_100000211595 [0,1,0,1,0,0|2,0,0]=4 14064 B13R2.184 OCc1ccc(cc1)SC2CC2 62a_100000690907_100000211595 [0,1,0,1,0,0|2,0,0]=4 14065 B13R2.184 [13CH3]Sc1ccc(cc1)OC2CC2 62a_100000704264_200025704644 [0,1,0,1,0,0|0,1,0]=3 14066 B13R2.184 [13CH3]Sc1ccc(cc1)OC2CC2 62a_200025704644_100000704264 [0,1,0,1,0,0|0,1,0]=3 14067 B13R2.184 [13CH3]Sc1ccc(nc1)NC2CC2 62a_100011242975_200025704644 [0,1,0,1,0,0|1,1,0]=4 14068 B13R2.184 [13CH3]Sc1ccc(nc1)NC2CC2 62a_200025704644_100011242975 [0,1,0,1,0,0|1,1,0]=4 14069 B13R2.1279 CC(C)Sc1ccc2c(c1)CC2 62a_100000210206_100009818592 [0,1,0,1,0,0|2,0,0]=4 14070 B13R2.1279 CC(C)Sc1ccc2c(c1)CC2 62a_100009818592_100000210206 [0,1,0,1,0,0|2,0,0]=4 14071 B13R2.1279 CN(C)Cc1ccc2c(c1)CC2 270004a_100102631434_100010273998 [0,1,0,1,0,0|2,0,0]=4 14072 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)N 271570a_100011290941_100015193702 [0,1,0,1,0,0|1,0,1]=4 14073 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)O 271570a_100011290941_100010161096 [0,1,0,1,0,0|1,0,1]=4 14074 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 2230a_100102713350_200025704644 [0,1,0,1,0,0|2,0,0]=4 14075 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 34a_100102713350_200025704644 [0,1,0,1,0,0|2,0,0]=4 14076 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 2230a_100102713350_200000210301 [0,1,0,1,0,0|2,0,0]=4 14077 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 34a_100102713350_200000210301 [0,1,0,1,0,0|2,0,0]=4 14078 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,1,0,0|1,0,1]=4 14079 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,1,0,0|1,0,1]=4 14080 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,1,0,0|1,0,1]=4 14081 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,1,0,0|1,0,1]=4 14082 B13R2.2121 COc1ccc2c(c1)CN(C2)C 269982a_100000051402_200000210301 [0,1,0,1,0,0|1,0,0]=3 14083 B13R2.2121 COc1ccc2c(c1)CN(C2)C 34a_100000051402_200000210301 [0,1,0,1,0,0|1,0,0]=3 14084 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 269982a_100000051402_200025704644 [0,1,0,1,0,0|1,0,0]=3 14085 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 34a_100000051402_200025704644 [0,1,0,1,0,0|1,0,0]=3 14086 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,1,0,1,0,0|0,0,2]=4 14087 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,1,0,0|0,0,2]=4 14088 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,1,0,0|0,0,2]=4 14089 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,1,0,0|1,0,1]=4 14090 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,1,0,0|1,0,1]=4 14091 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,1,0,1,0,0|1,0,1]=4 14092 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,1,0,1,0,0|1,0,1]=4 14093 B13R2.2121 COc1ccc2nn(cc2c1)C 34a_100000106843_200000210301 [0,1,0,1,0,0|2,0,0]=4 14094 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,1,0,0|1,0,1]=4 14095 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,1,0,0|1,0,1]=4 14096 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,1,0,1,0,0|1,0,1]=4 14097 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,1,0,1,0,0|1,0,1]=4 14098 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,1,0,0|0,1,1]=4 14099 B13R2.2121 CSc1ccc2c(c1)CC(C2)N 62a_100015193702_200000210301 [0,1,0,1,0,0|0,1,0]=3 14100 B13R2.2121 CSc1ccc2c(c1)CC(C2)N 62a_200000210301_100015193702 [0,1,0,1,0,0|0,1,0]=3 14101 B13R2.2121 CSc1ccc2c(c1)CC(C2)O 62a_100010161096_200000210301 [0,1,0,1,0,0|0,1,0]=3 14102 B13R2.2121 CSc1ccc2c(c1)CC(C2)O 62a_200000210301_100010161096 [0,1,0,1,0,0|0,1,0]=3 14103 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,1,0,0|1,0,1]=4 14104 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,1,0,0|1,0,1]=4 14105 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,1,0,1,0,0|0,0,2]=4 14106 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,1,0,0|0,0,2]=4 14107 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,1,0,0|0,0,2]=4 14108 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,1,0,0|1,0,1]=4 14109 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,1,0,0|1,0,1]=4 14110 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,1,0,1,0,0|1,0,1]=4 14111 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,1,0,1,0,0|1,0,1]=4 14112 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,1,0,0|1,0,1]=4 14113 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,1,0,0|1,0,1]=4 14114 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,1,0,1,0,0|1,0,1]=4 14115 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,1,0,1,0,0|1,0,1]=4 14116 B13R2.2121 Cn1cc2cc(ccc2n1)O[13CH3] 34a_100000106843_200025704644 [0,1,0,1,0,0|2,0,0]=4 14117 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,1,0,0|1,0,1]=4 14118 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,1,0,0|1,0,1]=4 14119 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,1,0,0|0,1,1]=4 14120 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(C2)N 62a_100015193702_200025704644 [0,1,0,1,0,0|0,1,0]=3 14121 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(C2)N 62a_200025704644_100015193702 [0,1,0,1,0,0|0,1,0]=3 14122 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(C2)O 62a_100010161096_200025704644 [0,1,0,1,0,0|0,1,0]=3 14123 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(C2)O 62a_200025704644_100010161096 [0,1,0,1,0,0|0,1,0]=3 14124 B13R2.185 C=Cc1ccc(cc1)C2CCC2 271570a_100011290941_200010114027 [0,1,0,1,0,0|1,0,1]=4 14125 B13R2.185 C=Cc1ccc(cc1)C2COC2 271570a_100011290941_100010732642 [0,1,0,1,0,0|1,0,1]=4 14126 B13R2.185 COc1ccc(nn1)N2CCC2 27a_100000754969_100010231723 [0,1,0,1,0,0|2,0,0]=4 14127 B13R2.185 COc1cnc(nc1)N2CCC2 27a_100000754969_100000069167 [0,1,0,1,0,0|2,0,0]=4 14128 B13R2.185 CSc1ccc(cc1)C2CCC2 62a_200000210301_200010114027 [0,1,0,1,0,0|0,1,0]=3 14129 B13R2.185 CSc1ccc(cc1)C2CCC2 62a_200010114027_200000210301 [0,1,0,1,0,0|0,1,0]=3 14130 B13R2.185 CSc1ccc(cc1)C2COC2 62a_200000210301_100010732642 [0,1,0,1,0,0|0,1,0]=3 14131 B13R2.185 CSc1ccc(nc1)N2CCC2 27a_100000754969_100009820866 [0,1,0,1,0,0|1,1,0]=4 14132 B13R2.185 [13CH3]Sc1ccc(cc1)C2CCC2 62a_200010114027_200025704644 [0,1,0,1,0,0|0,1,0]=3 14133 B13R2.185 [13CH3]Sc1ccc(cc1)C2CCC2 62a_200025704644_200010114027 [0,1,0,1,0,0|0,1,0]=3 14134 B13R2.185 [13CH3]Sc1ccc(cc1)C2COC2 62a_200025704644_100010732642 [0,1,0,1,0,0|0,1,0]=3 14135 B13R2.186 C=Cc1ccc(cc1)C2(CC2)N 271570a_100011290941_100000742681 [0,1,0,1,0,0|1,0,1]=4 14136 B13R2.186 CSc1ccc(cc1)C2(CC2)N 62a_100000742681_200000210301 [0,1,0,1,0,0|0,1,0]=3 14137 B13R2.186 CSc1ccc(cc1)C2(CC2)N 62a_200000210301_100000742681 [0,1,0,1,0,0|0,1,0]=3 14138 B13R2.186 [13CH3]Sc1ccc(cc1)C2(CC2)N 62a_100000742681_200025704644 [0,1,0,1,0,0|0,1,0]=3 14139 B13R2.186 [13CH3]Sc1ccc(cc1)C2(CC2)N 62a_200025704644_100000742681 [0,1,0,1,0,0|0,1,0]=3 14140 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,1,0,1,0,0|1,0,1]=4 14141 B13R2.2130 C=Cc1ccc2c(c1)CCC2N 271570a_100011290941_100000744021 [0,1,0,1,0,0|1,0,1]=4 14142 B13R2.2130 C=Cc1ccc2c(c1)CCC2O 271570a_100011290941_100000747877 [0,1,0,1,0,0|1,0,1]=4 14143 B13R2.2130 CN1CCc2c1ccc(c2)N[13CH3] 34a_100000749598_200025704644 [0,1,0,1,0,0|2,0,0]=4 14144 B13R2.2130 CN1CCc2c1ccc(c2)S[13CH3] 62a_100009815432_200025704644 [0,1,0,1,0,0|1,1,0]=4 14145 B13R2.2130 CN1CCc2c1ccc(c2)S[13CH3] 62a_200025704644_100009815432 [0,1,0,1,0,0|1,1,0]=4 14146 B13R2.2130 CNc1ccc2c(c1)CCN2C 34a_100000749598_200000210301 [0,1,0,1,0,0|2,0,0]=4 14147 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,1,0,0|0,0,1]=3 14148 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,1,0,0|0,0,1]=3 14149 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,1,0,1,0,0|1,0,1]=4 14150 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|1,0,1]=4 14151 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,1,0,1,0,0|0,1,1]=4 14152 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,1,0,1,0,0|0,1,1]=4 14153 B13R2.2130 CSc1ccc2c(c1)CCC2N 62a_100000744021_200000210301 [0,1,0,1,0,0|0,1,0]=3 14154 B13R2.2130 CSc1ccc2c(c1)CCC2N 62a_200000210301_100000744021 [0,1,0,1,0,0|0,1,0]=3 14155 B13R2.2130 CSc1ccc2c(c1)CCC2O 62a_100000747877_200000210301 [0,1,0,1,0,0|0,1,0]=3 14156 B13R2.2130 CSc1ccc2c(c1)CCC2O 62a_200000210301_100000747877 [0,1,0,1,0,0|0,1,0]=3 14157 B13R2.2130 CSc1ccc2c(c1)CCN2C 62a_100009815432_200000210301 [0,1,0,1,0,0|1,1,0]=4 14158 B13R2.2130 CSc1ccc2c(c1)CCN2C 62a_200000210301_100009815432 [0,1,0,1,0,0|1,1,0]=4 14159 B13R2.2130 CSc1ccc2c(c1)OCC2N 62a_100020628175_200000210301 [0,1,0,1,0,0|1,1,0]=4 14160 B13R2.2130 CSc1ccc2c(c1)OCC2N 62a_200000210301_100020628175 [0,1,0,1,0,0|1,1,0]=4 14161 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,1,0,0|0,0,1]=3 14162 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,1,0,0|0,0,1]=3 14163 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,1,0,1,0,0|1,0,1]=4 14164 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|1,0,1]=4 14165 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,1,0,1,0,0|0,1,1]=4 14166 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,1,0,1,0,0|0,1,1]=4 14167 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2N 62a_100000744021_200025704644 [0,1,0,1,0,0|0,1,0]=3 14168 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2N 62a_200025704644_100000744021 [0,1,0,1,0,0|0,1,0]=3 14169 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2O 62a_100000747877_200025704644 [0,1,0,1,0,0|0,1,0]=3 14170 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2O 62a_200025704644_100000747877 [0,1,0,1,0,0|0,1,0]=3 14171 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2N 62a_100020628175_200025704644 [0,1,0,1,0,0|1,1,0]=4 14172 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2N 62a_200025704644_100020628175 [0,1,0,1,0,0|1,1,0]=4 14173 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [0,1,0,1,0,0|1,0,1]=4 14174 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [0,1,0,1,0,0|1,0,1]=4 14175 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,1,0,1,0,0|1,0,1]=4 14176 B13R2.57 C=Cc1ccc2c(c1)CCNC2 271570a_100011290941_100000686056 [0,1,0,1,0,0|1,0,1]=4 14177 B13R2.57 C=Cc1ccc2c(c1)CNCC2 271570a_100011290941_100015189961 [0,1,0,1,0,0|1,0,1]=4 14178 B13R2.57 C=Cc1ccc2c(c1)COCC2 271570a_100011290941_100010128096 [0,1,0,1,0,0|1,0,1]=4 14179 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [0,1,0,1,0,0|1,0,1]=4 14180 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,1,0,1,0,0|1,0,1]=4 14181 B13R2.57 CNc1ccc2c(c1)CCCC2 2230a_100011205400_200000210301 [0,1,0,1,0,0|1,0,0]=3 14182 B13R2.57 CNc1ccc2c(c1)CCCC2 34a_100011205400_200000210301 [0,1,0,1,0,0|1,0,0]=3 14183 B13R2.57 CNc1ccc2c(c1)CCCO2 2230a_100138412508_200000210301 [0,1,0,1,0,0|1,0,0]=3 14184 B13R2.57 CNc1ccc2c(c1)CCCO2 34a_100138412508_200000210301 [0,1,0,1,0,0|1,0,0]=3 14185 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,1,0,1,0,0|2,0,0]=4 14186 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,1,0,1,0,0|2,0,0]=4 14187 B13R2.57 COc1ccc2c(c1)CCCC2 34a_100000186212_200000210301 [0,1,0,1,0,0|0,0,0]=2 14188 B13R2.57 COc1ccc2c(c1)CCCC2 7a_100000186212_200000210301 [0,1,0,1,0,0|0,0,0]=2 14189 B13R2.57 COc1ccc2c(c1)CCCN2 34a_100000070867_200000210301 [0,1,0,1,0,0|0,0,0]=2 14190 B13R2.57 COc1ccc2c(c1)CCNC2 34a_100000077532_200000210301 [0,1,0,1,0,0|0,0,0]=2 14191 B13R2.57 COc1ccc2c(c1)CCOC2 34a_100009841951_200000210301 [0,1,0,1,0,0|0,0,0]=2 14192 B13R2.57 COc1ccc2c(c1)CCOC2 7a_100009841951_200000210301 [0,1,0,1,0,0|0,0,0]=2 14193 B13R2.57 COc1ccc2c(c1)CNCC2 34a_100015185785_200000210301 [0,1,0,1,0,0|0,0,0]=2 14194 B13R2.57 COc1ccc2c(c1)NCCC2 34a_106638131596_200000210301 [0,1,0,1,0,0|0,0,0]=2 14195 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,1,0,1,0,0|1,0,0]=3 14196 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|1,0,0]=3 14197 B13R2.57 COc1cnc2c(c1)CCCC2 34a_100009840790_200000210301 [0,1,0,1,0,0|1,0,0]=3 14198 B13R2.57 COc1cnc2c(c1)CCCC2 7a_100009840790_200000210301 [0,1,0,1,0,0|1,0,0]=3 14199 B13R2.57 CSc1ccc2c(c1)CCCC2 62a_100011221367_200000210301 [0,1,0,1,0,0|0,1,0]=3 14200 B13R2.57 CSc1ccc2c(c1)CCCC2 62a_200000210301_100011221367 [0,1,0,1,0,0|0,1,0]=3 14201 B13R2.57 CSc1ccc2c(c1)CCCN2 62a_100016994925_200000210301 [0,1,0,1,0,0|0,1,0]=3 14202 B13R2.57 CSc1ccc2c(c1)CCCN2 62a_200000210301_100016994925 [0,1,0,1,0,0|0,1,0]=3 14203 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_100011393166_200000210301 [0,1,0,1,0,0|0,1,0]=3 14204 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_200000210301_100011393166 [0,1,0,1,0,0|0,1,0]=3 14205 B13R2.57 CSc1ccc2c(c1)CCNC2 62a_100000686056_200000210301 [0,1,0,1,0,0|0,1,0]=3 14206 B13R2.57 CSc1ccc2c(c1)CCNC2 62a_200000210301_100000686056 [0,1,0,1,0,0|0,1,0]=3 14207 B13R2.57 CSc1ccc2c(c1)CNCC2 62a_100015189961_200000210301 [0,1,0,1,0,0|0,1,0]=3 14208 B13R2.57 CSc1ccc2c(c1)CNCC2 62a_200000210301_100015189961 [0,1,0,1,0,0|0,1,0]=3 14209 B13R2.57 CSc1ccc2c(c1)COCC2 62a_100010128096_200000210301 [0,1,0,1,0,0|0,1,0]=3 14210 B13R2.57 CSc1ccc2c(c1)COCC2 62a_200000210301_100010128096 [0,1,0,1,0,0|0,1,0]=3 14211 B13R2.57 CSc1ccc2c(c1)NCCC2 62a_100010196366_200000210301 [0,1,0,1,0,0|0,1,0]=3 14212 B13R2.57 CSc1ccc2c(c1)NCCC2 62a_200000210301_100010196366 [0,1,0,1,0,0|0,1,0]=3 14213 B13R2.57 CSc1ccc2c(c1)NCCO2 62a_200000210301_100000708519 [0,1,0,1,0,0|1,1,0]=4 14214 B13R2.57 CSc1ccc2c(c1)NCCS2 62a_200000210301_100013243616 [0,1,0,1,0,0|1,1,0]=4 14215 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_100010700467_200000210301 [0,1,0,1,0,0|0,1,0]=3 14216 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_200000210301_100010700467 [0,1,0,1,0,0|0,1,0]=3 14217 B13R2.57 CSc1ccc2c(c1)OCCN2 62a_200000210301_100012355470 [0,1,0,1,0,0|1,1,0]=4 14218 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,1,0,1,0,0|1,1,0]=4 14219 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,1,0,1,0,0|1,1,0]=4 14220 B13R2.57 CSc1ccc2c(n1)CCCC2 62a_100000046135_200000210301 [0,1,0,1,0,0|1,1,0]=4 14221 B13R2.57 CSc1ccc2c(n1)CCCC2 62a_200000210301_100000046135 [0,1,0,1,0,0|1,1,0]=4 14222 B13R2.57 CSc1ccc2c(n1)CCCN2 62a_100010277722_200000210301 [0,1,0,1,0,0|1,1,0]=4 14223 B13R2.57 CSc1ccc2c(n1)CCCN2 62a_200000210301_100010277722 [0,1,0,1,0,0|1,1,0]=4 14224 B13R2.57 CSc1ccc2c(n1)CCNC2 62a_100015190003_200000210301 [0,1,0,1,0,0|1,1,0]=4 14225 B13R2.57 CSc1ccc2c(n1)CCNC2 62a_200000210301_100015190003 [0,1,0,1,0,0|1,1,0]=4 14226 B13R2.57 CSc1ccc2c(n1)NCCC2 62a_100009952728_200000210301 [0,1,0,1,0,0|1,1,0]=4 14227 B13R2.57 CSc1ccc2c(n1)NCCC2 62a_200000210301_100009952728 [0,1,0,1,0,0|1,1,0]=4 14228 B13R2.57 CSc1cnc2c(c1)CCCC2 62a_100010236098_200000210301 [0,1,0,1,0,0|1,1,0]=4 14229 B13R2.57 CSc1cnc2c(c1)CCCC2 62a_200000210301_100010236098 [0,1,0,1,0,0|1,1,0]=4 14230 B13R2.57 CSc1cnc2c(c1)CCCO2 62a_100010109689_200000210301 [0,1,0,1,0,0|1,1,0]=4 14231 B13R2.57 CSc1cnc2c(c1)CCCO2 62a_200000210301_100010109689 [0,1,0,1,0,0|1,1,0]=4 14232 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCC2 2230a_100011205400_200025704644 [0,1,0,1,0,0|1,0,0]=3 14233 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCC2 34a_100011205400_200025704644 [0,1,0,1,0,0|1,0,0]=3 14234 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 2230a_100138412508_200025704644 [0,1,0,1,0,0|1,0,0]=3 14235 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 34a_100138412508_200025704644 [0,1,0,1,0,0|1,0,0]=3 14236 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,1,0,1,0,0|2,0,0]=4 14237 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,1,0,1,0,0|2,0,0]=4 14238 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCC2 34a_100000186212_200025704644 [0,1,0,1,0,0|0,0,0]=2 14239 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCC2 7a_100000186212_200025704644 [0,1,0,1,0,0|0,0,0]=2 14240 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCN2 34a_100000070867_200025704644 [0,1,0,1,0,0|0,0,0]=2 14241 B13R2.57 [13CH3]Oc1ccc2c(c1)CCNC2 34a_100000077532_200025704644 [0,1,0,1,0,0|0,0,0]=2 14242 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 34a_100009841951_200025704644 [0,1,0,1,0,0|0,0,0]=2 14243 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 7a_100009841951_200025704644 [0,1,0,1,0,0|0,0,0]=2 14244 B13R2.57 [13CH3]Oc1ccc2c(c1)CNCC2 34a_100015185785_200025704644 [0,1,0,1,0,0|0,0,0]=2 14245 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCC2 34a_106638131596_200025704644 [0,1,0,1,0,0|0,0,0]=2 14246 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,1,0,1,0,0|1,0,0]=3 14247 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|1,0,0]=3 14248 B13R2.57 [13CH3]Oc1cnc2c(c1)CCCC2 34a_100009840790_200025704644 [0,1,0,1,0,0|1,0,0]=3 14249 B13R2.57 [13CH3]Oc1cnc2c(c1)CCCC2 7a_100009840790_200025704644 [0,1,0,1,0,0|1,0,0]=3 14250 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCC2 62a_100011221367_200025704644 [0,1,0,1,0,0|0,1,0]=3 14251 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCC2 62a_200025704644_100011221367 [0,1,0,1,0,0|0,1,0]=3 14252 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCN2 62a_100016994925_200025704644 [0,1,0,1,0,0|0,1,0]=3 14253 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCN2 62a_200025704644_100016994925 [0,1,0,1,0,0|0,1,0]=3 14254 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_100011393166_200025704644 [0,1,0,1,0,0|0,1,0]=3 14255 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_200025704644_100011393166 [0,1,0,1,0,0|0,1,0]=3 14256 B13R2.57 [13CH3]Sc1ccc2c(c1)CCNC2 62a_100000686056_200025704644 [0,1,0,1,0,0|0,1,0]=3 14257 B13R2.57 [13CH3]Sc1ccc2c(c1)CCNC2 62a_200025704644_100000686056 [0,1,0,1,0,0|0,1,0]=3 14258 B13R2.57 [13CH3]Sc1ccc2c(c1)CNCC2 62a_100015189961_200025704644 [0,1,0,1,0,0|0,1,0]=3 14259 B13R2.57 [13CH3]Sc1ccc2c(c1)CNCC2 62a_200025704644_100015189961 [0,1,0,1,0,0|0,1,0]=3 14260 B13R2.57 [13CH3]Sc1ccc2c(c1)COCC2 62a_100010128096_200025704644 [0,1,0,1,0,0|0,1,0]=3 14261 B13R2.57 [13CH3]Sc1ccc2c(c1)COCC2 62a_200025704644_100010128096 [0,1,0,1,0,0|0,1,0]=3 14262 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCC2 62a_100010196366_200025704644 [0,1,0,1,0,0|0,1,0]=3 14263 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCC2 62a_200025704644_100010196366 [0,1,0,1,0,0|0,1,0]=3 14264 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCO2 62a_200025704644_100000708519 [0,1,0,1,0,0|1,1,0]=4 14265 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCS2 62a_200025704644_100013243616 [0,1,0,1,0,0|1,1,0]=4 14266 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_100010700467_200025704644 [0,1,0,1,0,0|0,1,0]=3 14267 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_200025704644_100010700467 [0,1,0,1,0,0|0,1,0]=3 14268 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCN2 62a_200025704644_100012355470 [0,1,0,1,0,0|1,1,0]=4 14269 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,1,0,1,0,0|1,1,0]=4 14270 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,1,0,1,0,0|1,1,0]=4 14271 B13R2.57 [13CH3]Sc1ccc2c(n1)CCCC2 62a_100000046135_200025704644 [0,1,0,1,0,0|1,1,0]=4 14272 B13R2.57 [13CH3]Sc1ccc2c(n1)CCCC2 62a_200025704644_100000046135 [0,1,0,1,0,0|1,1,0]=4 14273 B13R2.57 [13CH3]Sc1ccc2c(n1)CCCN2 62a_100010277722_200025704644 [0,1,0,1,0,0|1,1,0]=4 14274 B13R2.57 [13CH3]Sc1ccc2c(n1)CCCN2 62a_200025704644_100010277722 [0,1,0,1,0,0|1,1,0]=4 14275 B13R2.57 [13CH3]Sc1ccc2c(n1)CCNC2 62a_100015190003_200025704644 [0,1,0,1,0,0|1,1,0]=4 14276 B13R2.57 [13CH3]Sc1ccc2c(n1)CCNC2 62a_200025704644_100015190003 [0,1,0,1,0,0|1,1,0]=4 14277 B13R2.57 [13CH3]Sc1ccc2c(n1)NCCC2 62a_100009952728_200025704644 [0,1,0,1,0,0|1,1,0]=4 14278 B13R2.57 [13CH3]Sc1ccc2c(n1)NCCC2 62a_200025704644_100009952728 [0,1,0,1,0,0|1,1,0]=4 14279 B13R2.57 [13CH3]Sc1cnc2c(c1)CCCC2 62a_100010236098_200025704644 [0,1,0,1,0,0|1,1,0]=4 14280 B13R2.57 [13CH3]Sc1cnc2c(c1)CCCC2 62a_200025704644_100010236098 [0,1,0,1,0,0|1,1,0]=4 14281 B13R2.57 [13CH3]Sc1cnc2c(c1)CCCO2 62a_100010109689_200025704644 [0,1,0,1,0,0|1,1,0]=4 14282 B13R2.57 [13CH3]Sc1cnc2c(c1)CCCO2 62a_200025704644_100010109689 [0,1,0,1,0,0|1,1,0]=4 14283 B13R2.467 CCCCc1ccc2c(c1)CC2 271570a_100020621405_100009818592 [0,1,0,1,0,0|1,0,0]=3 14284 B13R2.467 CCCSc1ccc2c(c1)CC2 62a_100000210303_100009818592 [0,1,0,1,0,0|1,0,0]=3 14285 B13R2.467 CCCSc1ccc2c(c1)CC2 62a_100009818592_100000210303 [0,1,0,1,0,0|1,0,0]=3 14286 B13R2.467 CCNCc1ccc2c(c1)CC2 207a_100015525214_100010273998 [0,1,0,1,0,0|1,0,0]=3 14287 B13R2.467 CCNCc1ccc2c(c1)CC2 270004a_100015525214_100010273998 [0,1,0,1,0,0|1,0,0]=3 14288 B13R2.467 CCOCc1ccc2c(c1)CC2 34a_100010733339_100000210202 [0,1,0,1,0,0|1,0,0]=3 14289 B13R2.467 CCOCc1ccc2c(c1)CC2 7a_100010733339_100000210202 [0,1,0,1,0,0|1,0,0]=3 14290 B13R2.467 COCSc1ccc2c(c1)CC2 62a_100000766300_100009818592 [0,1,0,1,0,0|2,0,0]=4 14291 B13R2.467 COCSc1ccc2c(c1)CC2 62a_100009818592_100000766300 [0,1,0,1,0,0|2,0,0]=4 14292 B13R2.467 CSCSc1ccc2c(c1)CC2 62a_100009818592_100011218213 [0,1,0,1,0,0|2,0,0]=4 14293 B13R2.467 CSCSc1ccc2c(c1)CC2 62a_100011218213_100009818592 [0,1,0,1,0,0|2,0,0]=4 14294 B13R2.467 FCCSc1ccc2c(c1)CC2 62a_100009818592_100011217306 [0,1,0,1,0,0|2,0,0]=4 14295 B13R2.467 FCCSc1ccc2c(c1)CC2 62a_100011217306_100009818592 [0,1,0,1,0,0|2,0,0]=4 14296 B13R2.467 FCOCc1ccc2c(c1)CC2 34a_100010733339_100015361967 [0,1,0,1,0,0|2,0,0]=4 14297 B13R2.467 FCOCc1ccc2c(c1)CC2 7a_100010733339_100015361967 [0,1,0,1,0,0|2,0,0]=4 14298 B13R2.467 OCCSc1ccc2c(c1)CC2 62a_100000211926_100009818592 [0,1,0,1,0,0|2,0,0]=4 14299 B13R2.467 OCCSc1ccc2c(c1)CC2 62a_100009818592_100000211926 [0,1,0,1,0,0|2,0,0]=4 14300 B13R2.669 C=Cc1ccc2c(c1)C(CC2)N 271570a_100011290941_100011435097 [0,1,0,1,0,0|1,0,1]=4 14301 B13R2.669 C=Cc1ccc2c(c1)C(CC2)O 271570a_100011290941_100011836024 [0,1,0,1,0,0|1,0,1]=4 14302 B13R2.669 COc1ccc2[nH]cc(c2c1)C 34a_100000131216_200000210301 [0,1,0,1,0,0|0,0,2]=4 14303 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [0,1,0,1,0,0|0,0,1]=3 14304 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [0,1,0,1,0,0|0,0,1]=3 14305 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [0,1,0,1,0,0|1,0,1]=4 14306 B13R2.669 COc1ccc2cnn(c2c1)C 34a_100009862793_200000210301 [0,1,0,1,0,0|1,0,1]=4 14307 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_100000759401_200000210301 [0,1,0,1,0,0|0,1,1]=4 14308 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_200000210301_100000759401 [0,1,0,1,0,0|0,1,1]=4 14309 B13R2.669 CSc1ccc2c(c1)C(CC2)N 62a_100011435097_200000210301 [0,1,0,1,0,0|0,1,0]=3 14310 B13R2.669 CSc1ccc2c(c1)C(CC2)N 62a_200000210301_100011435097 [0,1,0,1,0,0|0,1,0]=3 14311 B13R2.669 CSc1ccc2c(c1)C(CC2)O 62a_100011836024_200000210301 [0,1,0,1,0,0|0,1,0]=3 14312 B13R2.669 CSc1ccc2c(c1)C(CC2)O 62a_200000210301_100011836024 [0,1,0,1,0,0|0,1,0]=3 14313 B13R2.669 Cc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000131216_200025704644 [0,1,0,1,0,0|0,0,2]=4 14314 B13R2.669 Cn1ncc2c1cc(cc2)O[13CH3] 34a_100009862793_200025704644 [0,1,0,1,0,0|1,0,1]=4 14315 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [0,1,0,1,0,0|0,0,1]=3 14316 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [0,1,0,1,0,0|0,0,1]=3 14317 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [0,1,0,1,0,0|1,0,1]=4 14318 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_100000759401_200025704644 [0,1,0,1,0,0|0,1,1]=4 14319 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_200025704644_100000759401 [0,1,0,1,0,0|0,1,1]=4 14320 B13R2.669 [13CH3]Sc1ccc2c(c1)C(CC2)N 62a_100011435097_200025704644 [0,1,0,1,0,0|0,1,0]=3 14321 B13R2.669 [13CH3]Sc1ccc2c(c1)C(CC2)N 62a_200025704644_100011435097 [0,1,0,1,0,0|0,1,0]=3 14322 B13R2.669 [13CH3]Sc1ccc2c(c1)C(CC2)O 62a_100011836024_200025704644 [0,1,0,1,0,0|0,1,0]=3 14323 B13R2.669 [13CH3]Sc1ccc2c(c1)C(CC2)O 62a_200025704644_100011836024 [0,1,0,1,0,0|0,1,0]=3 14324 B13R2.60 Br/C=C/c1ccc(cc1)C2CC2 271570a_100011220607_200016255901 [0,1,0,1,0,0|1,0,1]=4 14325 B13R2.60 C/C=C/c1ccc(cc1)C2CC2 271570a_100011220607_100016259036 [0,1,0,1,0,0|1,0,0]=3 14326 B13R2.60 C=C=Cc1ccc(cc1)C2CC2 271570a_100015277604_100009820665 [0,1,0,1,0,0|1,0,1]=4 14327 B13R2.60 CC=Cc1ccc(cc1)C2CC2 271570a_100016259895_100009820665 [0,1,0,1,0,0|1,0,0]=3 14328 B13R2.60 CC=Cc1ccc(cn1)C2CC2 271570a_100016259895_200000118129 [0,1,0,1,0,0|2,0,0]=4 14329 B13R2.60 CC=Cc1ccc(nc1)C2CC2 271570a_100016259895_100009850895 [0,1,0,1,0,0|2,0,0]=4 14330 B13R2.60 CCCc1ccc(cc1)C2CC2 271570a_100011220607_100000750032 [0,1,0,1,0,0|1,0,0]=3 14331 B13R2.60 CCNc1ccc(cc1)C2CC2 271570a_100011220607_100000219632 [0,1,0,1,0,0|1,0,0]=3 14332 B13R2.60 CCNc1ccc(cc1)C2CC2 34a_100016991203_100000210202 [0,1,0,1,0,0|1,0,0]=3 14333 B13R2.60 CCNc1ccc(cn1)C2CC2 271570a_100011220607_100000741496 [0,1,0,1,0,0|2,0,0]=4 14334 B13R2.60 CCOc1ccc(cc1)C2CC2 271570a_100011220607_100000169946 [0,1,0,1,0,0|0,0,0]=2 14335 B13R2.60 CCOc1ccc(cc1)C2CC2 34a_100011997980_100000210202 [0,1,0,1,0,0|0,0,0]=2 14336 B13R2.60 CCOc1ccc(cc1)C2CC2 7a_100011997980_100000210202 [0,1,0,1,0,0|0,0,0]=2 14337 B13R2.60 CCOc1ccc(cn1)C2CC2 271570a_100011220607_100011219444 [0,1,0,1,0,0|1,0,0]=3 14338 B13R2.60 CCOc1ccc(nc1)C2CC2 271570a_100011220607_100000753957 [0,1,0,1,0,0|1,0,0]=3 14339 B13R2.60 CCOc1ccc(nn1)C2CC2 271570a_100011220607_100000757289 [0,1,0,1,0,0|2,0,0]=4 14340 B13R2.60 CCOc1cnc(cn1)C2CC2 271570a_100011220607_200012356188 [0,1,0,1,0,0|2,0,0]=4 14341 B13R2.60 CCOc1cnc(nc1)C2CC2 271570a_100011220607_100000099823 [0,1,0,1,0,0|2,0,0]=4 14342 B13R2.60 CCOc1ncc(cn1)C2CC2 271570a_100011220607_100011934766 [0,1,0,1,0,0|2,0,0]=4 14343 B13R2.60 CCSc1ccc(cc1)C2CC2 271570a_100011220607_200009811893 [0,1,0,1,0,0|0,1,0]=3 14344 B13R2.60 CCSc1ccc(cc1)C2CC2 62a_100000210202_100009820665 [0,1,0,1,0,0|0,1,0]=3 14345 B13R2.60 CCSc1ccc(cn1)C2CC2 271570a_100011220607_100000690189 [0,1,0,1,0,0|1,1,0]=4 14346 B13R2.60 CCSc1ccc(cn1)C2CC2 62a_100000210202_200000118129 [0,1,0,1,0,0|1,1,0]=4 14347 B13R2.60 CCSc1ccc(nc1)C2CC2 62a_100000210202_100009850895 [0,1,0,1,0,0|1,1,0]=4 14348 B13R2.60 CCSc1ccc(nc1)C2CC2 62a_100009850895_100000210202 [0,1,0,1,0,0|1,1,0]=4 14349 B13R2.60 CNCc1ccc(cc1)C2CC2 207a_100102657272_100011263248 [0,1,0,1,0,0|1,0,0]=3 14350 B13R2.60 CNCc1ccc(cc1)C2CC2 2230a_100025706670_200000210301 [0,1,0,1,0,0|1,0,0]=3 14351 B13R2.60 CNCc1ccc(cc1)C2CC2 26a_100102657272_100011997980 [0,1,0,1,0,0|1,0,0]=3 14352 B13R2.60 CNCc1ccc(cc1)C2CC2 270004a_106832991635_100011263248 [0,1,0,1,0,0|1,0,0]=3 14353 B13R2.60 CNCc1ccc(cc1)C2CC2 271570a_100011220607_100000180866 [0,1,0,1,0,0|1,0,0]=3 14354 B13R2.60 CNCc1ccc(cc1)C2CC2 34a_100025706670_200000210301 [0,1,0,1,0,0|1,0,0]=3 14355 B13R2.60 CNCc1ccc(nc1)C2CC2 271570a_100011220607_100000026953 [0,1,0,1,0,0|2,0,0]=4 14356 B13R2.60 COCc1ccc(cc1)C2CC2 271570a_100011220607_100011493685 [0,1,0,1,0,0|0,0,0]=2 14357 B13R2.60 COCc1ccc(cc1)C2CC2 34a_100011258775_200000210301 [0,1,0,1,0,0|0,0,0]=2 14358 B13R2.60 COCc1ccc(cc1)C2CC2 7a_100011258775_200000210301 [0,1,0,1,0,0|0,0,0]=2 14359 B13R2.60 CSCc1ccc(nc1)C2CC2 271570a_100011220607_100000753673 [0,1,0,1,0,0|1,1,0]=4 14360 B13R2.60 FCNc1ccc(cc1)C2CC2 34a_100016991203_100015361967 [0,1,0,1,0,0|1,0,0]=3 14361 B13R2.60 FCOc1ccc(cc1)C2CC2 34a_100011997980_100015361967 [0,1,0,1,0,0|0,0,0]=2 14362 B13R2.60 FCOc1ccc(cc1)C2CC2 7a_100011997980_100015361967 [0,1,0,1,0,0|0,0,0]=2 14363 B13R2.60 FCSc1ccc(cc1)C2CC2 62a_100015361967_100009820665 [0,1,0,1,0,0|0,1,0]=3 14364 B13R2.60 FCSc1ccc(cn1)C2CC2 62a_100015361967_200000118129 [0,1,0,1,0,0|1,1,0]=4 14365 B13R2.60 FCSc1ccc(nc1)C2CC2 62a_100009850895_100015361967 [0,1,0,1,0,0|1,1,0]=4 14366 B13R2.60 FCSc1ccc(nc1)C2CC2 62a_100015361967_100009850895 [0,1,0,1,0,0|1,1,0]=4 14367 B13R2.60 N#CCc1ccc(cc1)C2CC2 271570a_100011220607_100011217881 [0,1,0,1,0,0|1,0,1]=4 14368 B13R2.60 N#CNc1ccc(cc1)C2CC2 271570a_100011220607_100011685341 [0,1,0,1,0,0|1,0,1]=4 14369 B13R2.60 NCCc1ccc(cc1)C2CC2 271570a_100011220607_100000755846 [0,1,0,1,0,0|1,0,0]=3 14370 B13R2.60 NNCc1ccc(cc1)C2CC2 271570a_100011220607_100016993955 [0,1,0,1,0,0|2,0,0]=4 14371 B13R2.60 O=CCc1ccc(cc1)C2CC2 271570a_100011220607_100011361690 [0,1,0,1,0,0|1,0,1]=4 14372 B13R2.60 OCCc1ccc(cc1)C2CC2 271570a_100011220607_100000766406 [0,1,0,1,0,0|1,0,0]=3 14373 B13R2.60 OCCc1ccc(cn1)C2CC2 271570a_100011220607_100012357577 [0,1,0,1,0,0|2,0,0]=4 14374 B13R2.60 OCCc1ccc(nc1)C2CC2 271570a_100011220607_100009880866 [0,1,0,1,0,0|2,0,0]=4 14375 B13R2.60 [13CH3]NCc1ccc(cc1)C2CC2 2230a_100025706670_200025704644 [0,1,0,1,0,0|1,0,0]=3 14376 B13R2.60 [13CH3]NCc1ccc(cc1)C2CC2 34a_100025706670_200025704644 [0,1,0,1,0,0|1,0,0]=3 14377 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 34a_100011258775_200025704644 [0,1,0,1,0,0|0,0,0]=2 14378 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 7a_100011258775_200025704644 [0,1,0,1,0,0|0,0,0]=2 14379 B13R2.60 [N-]=[N+]=Nc1ccc(cc1)C2CC2 271570a_100011220607_100000735661 [0,1,0,1,0,0|2,0,0]=4 14380 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100000694244_100009820665 [0,1,0,1,0,0|1,0,0]=3 14381 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000185454 [0,1,0,1,0,0|1,0,0]=3 14382 B13R2.428 C=C(C)c1ccc(cn1)C2CC2 271570a_100000694244_200000118129 [0,1,0,1,0,0|2,0,0]=4 14383 B13R2.428 C=C(C)c1ccc(nc1)C2CC2 271570a_100000694244_100009850895 [0,1,0,1,0,0|2,0,0]=4 14384 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200000210301 [0,1,0,1,0,0|1,0,0]=3 14385 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000185465 [0,1,0,1,0,0|1,0,0]=3 14386 B13R2.428 CC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100000686046 [0,1,0,1,0,0|2,0,0]=4 14387 B13R2.428 CC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000684857 [0,1,0,1,0,0|2,0,0]=4 14388 B13R2.428 CC(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000750031 [0,1,0,1,0,0|1,0,0]=3 14389 B13R2.428 CC(C)c1ccc(cn1)C2CC2 271570a_100011220607_100010255768 [0,1,0,1,0,0|2,0,0]=4 14390 B13R2.428 CC(C)c1ccc(nc1)C2CC2 271570a_100011220607_200009815286 [0,1,0,1,0,0|2,0,0]=4 14391 B13R2.428 CC(N)c1ccc(cn1)C2CC2 271570a_100011220607_100000723930 [0,1,0,1,0,0|2,0,0]=4 14392 B13R2.428 CC(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000745893 [0,1,0,1,0,0|1,0,0]=3 14393 B13R2.428 CC(O)c1ccc(cn1)C2CC2 271570a_100011220607_100012353650 [0,1,0,1,0,0|2,0,0]=4 14394 B13R2.428 CC(O)c1ccc(nc1)C2CC2 271570a_100011220607_200010274204 [0,1,0,1,0,0|2,0,0]=4 14395 B13R2.428 CN(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000210421 [0,1,0,1,0,0|1,0,0]=3 14396 B13R2.428 CN(C)c1ccc(cn1)C2CC2 271570a_100011220607_100011465347 [0,1,0,1,0,0|2,0,0]=4 14397 B13R2.428 CN(C)c1ccc(nc1)C2CC2 271570a_100011220607_100009992925 [0,1,0,1,0,0|2,0,0]=4 14398 B13R2.428 CS(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100009816266 [0,1,0,1,0,0|0,1,0]=3 14399 B13R2.428 C[C@@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100000720352 [0,1,0,1,0,0|1,0,0]=3 14400 B13R2.428 C[C@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100000753911 [0,1,0,1,0,0|1,0,0]=3 14401 B13R2.428 C[C@H](N)c1ccc(nc1)C2CC2 271570a_100011220607_100015387476 [0,1,0,1,0,0|2,0,0]=4 14402 B13R2.428 FC(F)c1ccc(cc1)C2CC2 271570a_100011220607_100010189923 [0,1,0,1,0,0|2,0,0]=4 14403 B13R2.428 NC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000162191 [0,1,0,1,0,0|2,0,0]=4 14404 B13R2.428 OB(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000754493 [0,1,0,1,0,0|2,0,0]=4 14405 B13R2.428 [13CH3]C(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200025704644 [0,1,0,1,0,0|1,0,0]=3 14406 B13R2.430 C=C(C)c1ccc2c(c1)CCC2 271570a_100000694244_100000745594 [0,1,0,1,0,0|1,0,0]=3 14407 B13R2.430 C=C(C)c1ccc2c(c1)CCN2 271570a_100000694244_100000026929 [0,1,0,1,0,0|2,0,0]=4 14408 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,1,0,1,0,0|2,0,0]=4 14409 B13R2.430 C=C(C)c1ccc2c(c1)CNC2 271570a_100000694244_100000702344 [0,1,0,1,0,0|2,0,0]=4 14410 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [0,1,0,1,0,0|2,0,0]=4 14411 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [0,1,0,1,0,0|2,0,0]=4 14412 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,1,0,0|2,0,0]=4 14413 B13R2.430 C=C(C)c1ccc2c(n1)CCC2 271570a_100000694244_100000046531 [0,1,0,1,0,0|2,0,0]=4 14414 B13R2.430 C=C(C)c1cnc2c(c1)CCC2 271570a_100000694244_100000693888 [0,1,0,1,0,0|2,0,0]=4 14415 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,1,0,0|1,0,0]=3 14416 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|2,0,0]=4 14417 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,1,0,0|1,0,0]=3 14418 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|2,0,0]=4 14419 B13R2.2170 CCc1ccc(c(c1)Br)C2CC2 271570a_100011220607_200009997437 [0,1,0,1,0,0|1,0,0]=3 14420 B13R2.2170 CCc1ccc(c(c1)F)C2CC2 271570a_100011220607_200010339503 [0,1,0,1,0,0|1,0,0]=3 14421 B13R2.2170 CNc1cc(c(cn1)C2CC2)C 271570a_100011220607_100012352278 [0,1,0,1,0,0|2,0,0]=4 14422 B13R2.2170 CNc1ccc(c(c1)C)C2CC2 271570a_100011220607_100102888905 [0,1,0,1,0,0|1,0,0]=3 14423 B13R2.2170 CNc1ccc(c(c1)F)C2CC2 271570a_100011220607_100012285320 [0,1,0,1,0,0|1,0,0]=3 14424 B13R2.2170 COc1cc(c(cn1)C2CC2)C 271570a_100011220607_100011934368 [0,1,0,1,0,0|1,0,0]=3 14425 B13R2.2170 COc1cc(c(cn1)C2CC2)F 271570a_100011220607_100010136277 [0,1,0,1,0,0|1,0,0]=3 14426 B13R2.2170 COc1cc(c(cn1)C2CC2)N 271570a_100011220607_100010254562 [0,1,0,1,0,0|1,0,0]=3 14427 B13R2.2170 COc1cc(c(cn1)C2CC2)O 271570a_100011220607_100010738159 [0,1,0,1,0,0|1,0,0]=3 14428 B13R2.2170 COc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012349170 [0,1,0,1,0,0|0,0,0]=2 14429 B13R2.2170 COc1ccc(c(c1)C)C2CC2 271570a_100011220607_100000759875 [0,1,0,1,0,0|0,0,0]=2 14430 B13R2.2170 COc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000753793 [0,1,0,1,0,0|0,0,0]=2 14431 B13R2.2170 COc1ccc(c(c1)N)C2CC2 271570a_100011220607_100000748021 [0,1,0,1,0,0|0,0,0]=2 14432 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [0,1,0,1,0,0|0,0,0]=2 14433 B13R2.2170 COc1ccc(c(n1)C)C2CC2 271570a_100011220607_100000766551 [0,1,0,1,0,0|1,0,0]=3 14434 B13R2.2170 COc1ccc(c(n1)F)C2CC2 271570a_100011220607_100010067559 [0,1,0,1,0,0|1,0,0]=3 14435 B13R2.2170 COc1ccc(c(n1)N)C2CC2 271570a_100011220607_100010187629 [0,1,0,1,0,0|1,0,0]=3 14436 B13R2.2170 COc1cnc(c(c1)C)C2CC2 271570a_100011220607_200009851512 [0,1,0,1,0,0|1,0,0]=3 14437 B13R2.2170 COc1cnc(c(c1)N)C2CC2 271570a_100011220607_100010074831 [0,1,0,1,0,0|1,0,0]=3 14438 B13R2.2170 COc1cnc(c(n1)C)C2CC2 271570a_100011220607_200010730098 [0,1,0,1,0,0|2,0,0]=4 14439 B13R2.2170 COc1cnc(c(n1)N)C2CC2 271570a_100011220607_100009955223 [0,1,0,1,0,0|2,0,0]=4 14440 B13R2.2170 COc1ncc(c(n1)C)C2CC2 271570a_100011220607_100010152497 [0,1,0,1,0,0|2,0,0]=4 14441 B13R2.2170 COc1ncc(c(n1)N)C2CC2 271570a_100011220607_100010218985 [0,1,0,1,0,0|2,0,0]=4 14442 B13R2.2170 CSc1ccc(c(c1)F)C2CC2 271570a_100011220607_100009816902 [0,1,0,1,0,0|0,1,0]=3 14443 B13R2.2170 CSc1cnc(c(c1)C)C2CC2 271570a_100011220607_203440288091 [0,1,0,1,0,0|1,1,0]=4 14444 B13R2.2170 CSc1cnc(c(c1)F)C2CC2 271570a_100011220607_100010884644 [0,1,0,1,0,0|1,1,0]=4 14445 B13R2.2170 Cc1cc(ccc1C2CC2)C#N 271570a_100011220607_100000212329 [0,1,0,1,0,0|2,0,0]=4 14446 B13R2.2170 Cc1cc(ccc1C2CC2)C=O 271570a_100011220607_100000765772 [0,1,0,1,0,0|2,0,0]=4 14447 B13R2.2170 Cc1cc(ccc1C2CC2)CN 271570a_100011220607_100015205234 [0,1,0,1,0,0|2,0,0]=4 14448 B13R2.2170 Cc1cc(ccc1C2CC2)CO 271570a_100011220607_100000718852 [0,1,0,1,0,0|2,0,0]=4 14449 B13R2.2170 Cc1cc(ccc1C2CC2)NN 271570a_100011220607_100000745493 [0,1,0,1,0,0|2,0,0]=4 14450 B13R2.2170 N#Cc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012356348 [0,1,0,1,0,0|2,0,0]=4 14451 B13R2.2170 N#Cc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100012349663 [0,1,0,1,0,0|2,0,0]=4 14452 B13R2.2170 N#Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011794375 [0,1,0,1,0,0|2,0,0]=4 14453 B13R2.2170 N#Cc1ccc(c(c1)N)C2CC2 271570a_100011220607_100012001879 [0,1,0,1,0,0|2,0,0]=4 14454 B13R2.2170 N#Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000724445 [0,1,0,1,0,0|2,0,0]=4 14455 B13R2.2170 NCc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000755036 [0,1,0,1,0,0|2,0,0]=4 14456 B13R2.2170 NNc1ccc(c(c1)F)C2CC2 271570a_100011220607_100016992936 [0,1,0,1,0,0|2,0,0]=4 14457 B13R2.2170 Nc1cc(ccc1C2CC2)CO 271570a_100011220607_100012347568 [0,1,0,1,0,0|2,0,0]=4 14458 B13R2.2170 O=Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000686674 [0,1,0,1,0,0|2,0,0]=4 14459 B13R2.2170 O=Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000041418 [0,1,0,1,0,0|2,0,0]=4 14460 B13R2.2170 OCc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000718186 [0,1,0,1,0,0|2,0,0]=4 14461 B13R2.2170 OCc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011533735 [0,1,0,1,0,0|2,0,0]=4 14462 B13R2.2170 OCc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000049605 [0,1,0,1,0,0|2,0,0]=4 14463 B13R2.449 C=C=Cc1ccc2c(c1)CCC2 271570a_100015277604_100000745594 [0,1,0,1,0,0|1,0,1]=4 14464 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [0,1,0,1,0,0|1,0,0]=3 14465 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [0,1,0,1,0,0|2,0,0]=4 14466 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,1,0,1,0,0|0,0,2]=4 14467 B13R2.449 CC=Cc1ccc2c(c1)CNC2 271570a_100016259895_100000702344 [0,1,0,1,0,0|2,0,0]=4 14468 B13R2.449 CC=Cc1ccc2c(c1)COC2 271570a_100016259895_100000698232 [0,1,0,1,0,0|0,0,2]=4 14469 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [0,1,0,1,0,0|2,0,0]=4 14470 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,1,0,1,0,0|2,0,0]=4 14471 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,1,0,1,0,0|0,0,2]=4 14472 B13R2.449 CC=Cc1ccc2c(n1)CCC2 271570a_100016259895_100000046531 [0,1,0,1,0,0|2,0,0]=4 14473 B13R2.449 CC=Cc1cnc2c(c1)CCC2 271570a_100016259895_100000693888 [0,1,0,1,0,0|2,0,0]=4 14474 B13R2.449 CCNc1ccc2c(c1)CCC2 2230a_100000211504_100000210202 [0,1,0,1,0,0|1,0,0]=3 14475 B13R2.449 CCNc1ccc2c(c1)CCC2 34a_100000211504_100000210202 [0,1,0,1,0,0|1,0,0]=3 14476 B13R2.449 CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210202 [0,1,0,1,0,0|1,0,0]=3 14477 B13R2.449 CCNc1ccc2c(c1)CCO2 34a_100000736984_100000210202 [0,1,0,1,0,0|1,0,0]=3 14478 B13R2.449 CCNc1ccc2c(c1)COC2 2230a_100011728444_100000210202 [0,1,0,1,0,0|1,0,0]=3 14479 B13R2.449 CCNc1ccc2c(c1)COC2 34a_100011728444_100000210202 [0,1,0,1,0,0|1,0,0]=3 14480 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,1,0,1,0,0|1,0,0]=3 14481 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,1,0,1,0,0|1,0,0]=3 14482 B13R2.449 CCNc1ccc2occc2c1 34a_106430523501_100000210202 [0,1,0,1,0,0|1,0,1]=4 14483 B13R2.449 CCNc1ccc2ocnc2c1 34a_100011219863_100000210202 [0,1,0,1,0,0|1,0,1]=4 14484 B13R2.449 CCNc1ccc2oncc2c1 34a_100000037595_100000210202 [0,1,0,1,0,0|1,0,1]=4 14485 B13R2.449 CCOc1ccc2c(c1)CCC2 34a_100000209987_100000210202 [0,1,0,1,0,0|0,0,0]=2 14486 B13R2.449 CCOc1ccc2c(c1)CCC2 7a_100000209987_100000210202 [0,1,0,1,0,0|0,0,0]=2 14487 B13R2.449 CCOc1ccc2c(c1)CCN2 34a_100020636429_100000210202 [0,1,0,1,0,0|1,0,0]=3 14488 B13R2.449 CCOc1ccc2c(c1)CNC2 34a_100015195982_100000210202 [0,1,0,1,0,0|1,0,0]=3 14489 B13R2.449 CCOc1ccc2c(c1)NCC2 34a_100020636427_100000210202 [0,1,0,1,0,0|1,0,0]=3 14490 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,1,0,1,0,0|1,0,0]=3 14491 B13R2.449 CCOc1ccc2nonc2c1 34a_100000036933_100000210202 [0,1,0,1,0,0|2,0,0]=4 14492 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [0,1,0,1,0,0|1,0,1]=4 14493 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [0,1,0,1,0,0|1,0,1]=4 14494 B13R2.449 CCSc1cc2c(cn1)OCC2 62a_100000210202_102495363667 [0,1,0,1,0,0|2,0,0]=4 14495 B13R2.449 CCSc1cc2c(cn1)OCC2 62a_102495363667_100000210202 [0,1,0,1,0,0|2,0,0]=4 14496 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_100000210202_200009818231 [0,1,0,1,0,0|2,0,0]=4 14497 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210202 [0,1,0,1,0,0|2,0,0]=4 14498 B13R2.449 CCSc1ccc2c(c1)CCC2 62a_100000210202_100000745594 [0,1,0,1,0,0|0,1,0]=3 14499 B13R2.449 CCSc1ccc2c(c1)CCC2 62a_100000745594_100000210202 [0,1,0,1,0,0|0,1,0]=3 14500 B13R2.449 CCSc1ccc2c(c1)CCN2 62a_100000210202_100000691068 [0,1,0,1,0,0|1,1,0]=4 14501 B13R2.449 CCSc1ccc2c(c1)CCN2 62a_100000691068_100000210202 [0,1,0,1,0,0|1,1,0]=4 14502 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000210202_100000729065 [0,1,0,1,0,0|1,0,0]=3 14503 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210202 [0,1,0,1,0,0|1,0,0]=3 14504 B13R2.449 CCSc1ccc2c(c1)CNC2 62a_100000210202_100000702344 [0,1,0,1,0,0|1,1,0]=4 14505 B13R2.449 CCSc1ccc2c(c1)CNC2 62a_100000702344_100000210202 [0,1,0,1,0,0|1,1,0]=4 14506 B13R2.449 CCSc1ccc2c(c1)COC2 62a_100000210202_100000698232 [0,1,0,1,0,0|1,0,0]=3 14507 B13R2.449 CCSc1ccc2c(c1)COC2 62a_100000698232_100000210202 [0,1,0,1,0,0|1,0,0]=3 14508 B13R2.449 CCSc1ccc2c(c1)NCC2 62a_100000210202_100000754641 [0,1,0,1,0,0|1,1,0]=4 14509 B13R2.449 CCSc1ccc2c(c1)NCC2 62a_100000754641_100000210202 [0,1,0,1,0,0|1,1,0]=4 14510 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100000210202_100009818566 [0,1,0,1,0,0|1,1,0]=4 14511 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210202 [0,1,0,1,0,0|1,1,0]=4 14512 B13R2.449 CCSc1ccc2c(n1)CCC2 62a_100000046531_100000210202 [0,1,0,1,0,0|1,1,0]=4 14513 B13R2.449 CCSc1ccc2c(n1)CCC2 62a_100000210202_100000046531 [0,1,0,1,0,0|1,1,0]=4 14514 B13R2.449 CCSc1ccc2nonc2c1 62a_100000210202_100009814275 [0,1,0,1,0,0|2,0,0]=4 14515 B13R2.449 CCSc1ccc2nonc2c1 62a_100009814275_100000210202 [0,1,0,1,0,0|2,0,0]=4 14516 B13R2.449 CCSc1ccc2occc2c1 62a_100000210202_100000691453 [0,1,0,1,0,0|1,0,1]=4 14517 B13R2.449 CCSc1ccc2ocnc2c1 62a_100000210202_100009816175 [0,1,0,1,0,0|1,0,1]=4 14518 B13R2.449 CCSc1ccc2oncc2c1 62a_100000210202_100009817723 [0,1,0,1,0,0|1,0,1]=4 14519 B13R2.449 CCSc1cnc2c(c1)CCC2 62a_100000210202_100000693888 [0,1,0,1,0,0|1,1,0]=4 14520 B13R2.449 CCSc1cnc2c(c1)CCC2 62a_100000693888_100000210202 [0,1,0,1,0,0|1,1,0]=4 14521 B13R2.449 CNCc1ccc2c(c1)CCC2 207a_100102657272_100000765347 [0,1,0,1,0,0|1,0,0]=3 14522 B13R2.449 CNCc1ccc2c(c1)CCC2 26a_100102657272_100000209987 [0,1,0,1,0,0|1,0,0]=3 14523 B13R2.449 CNCc1ccc2c(c1)CCC2 270004a_106832991635_100000765347 [0,1,0,1,0,0|1,0,0]=3 14524 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,1,0,1,0,0|1,0,0]=3 14525 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,1,0,1,0,0|1,0,0]=3 14526 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,1,0,1,0,0|1,0,0]=3 14527 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,1,0,1,0,0|1,0,0]=3 14528 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,1,0,1,0,0|1,0,0]=3 14529 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,1,0,1,0,0|1,0,0]=3 14530 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,1,0,1,0,0|1,0,0]=3 14531 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,1,0,1,0,0|1,0,0]=3 14532 B13R2.449 CNCc1ccc2nonc2c1 2230a_106832991635_100000733437 [0,1,0,1,0,0|2,0,0]=4 14533 B13R2.449 CNCc1ccc2nonc2c1 270004a_106832991635_100000042170 [0,1,0,1,0,0|2,0,0]=4 14534 B13R2.449 CNCc1ccc2nonc2c1 34a_100102657272_100000733437 [0,1,0,1,0,0|2,0,0]=4 14535 B13R2.449 CNCc1ccc2nonc2c1 7a_106832991635_100000733437 [0,1,0,1,0,0|2,0,0]=4 14536 B13R2.449 CNCc1ccc2occc2c1 207a_100102657272_100000040644 [0,1,0,1,0,0|1,0,1]=4 14537 B13R2.449 CNCc1ccc2occc2c1 2230a_100020591328_200000210301 [0,1,0,1,0,0|1,0,1]=4 14538 B13R2.449 CNCc1ccc2occc2c1 26a_100102657272_100000070125 [0,1,0,1,0,0|1,0,1]=4 14539 B13R2.449 CNCc1ccc2occc2c1 270004a_106832991635_100000040644 [0,1,0,1,0,0|1,0,1]=4 14540 B13R2.449 CNCc1ccc2occc2c1 34a_100020591328_200000210301 [0,1,0,1,0,0|1,0,1]=4 14541 B13R2.449 CNCc1ccc2ocnc2c1 207a_100102657272_100010271902 [0,1,0,1,0,0|1,0,1]=4 14542 B13R2.449 CNCc1ccc2ocnc2c1 2230a_106832991635_200010203175 [0,1,0,1,0,0|1,0,1]=4 14543 B13R2.449 CNCc1ccc2ocnc2c1 270004a_106832991635_100010271902 [0,1,0,1,0,0|1,0,1]=4 14544 B13R2.449 CNCc1ccc2ocnc2c1 34a_100102657272_200010203175 [0,1,0,1,0,0|1,0,1]=4 14545 B13R2.449 CNCc1ccc2ocnc2c1 7a_106832991635_200010203175 [0,1,0,1,0,0|1,0,1]=4 14546 B13R2.449 COCc1ccc2c(c1)CCC2 34a_200000765175_200000210301 [0,1,0,1,0,0|0,0,0]=2 14547 B13R2.449 COCc1ccc2c(c1)CCC2 7a_200000765175_200000210301 [0,1,0,1,0,0|0,0,0]=2 14548 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,1,0,1,0,0|1,0,0]=3 14549 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,1,0,1,0,0|1,0,0]=3 14550 B13R2.449 COCc1ccc2c(c1)NCC2 34a_100000694088_200000210301 [0,1,0,1,0,0|1,0,0]=3 14551 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,1,0,0|1,0,0]=3 14552 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,1,0,0|1,0,0]=3 14553 B13R2.449 COCc1ccc2nonc2c1 34a_100138415774_100000733437 [0,1,0,1,0,0|2,0,0]=4 14554 B13R2.449 COCc1ccc2occc2c1 34a_100000067418_200000210301 [0,1,0,1,0,0|1,0,1]=4 14555 B13R2.449 COCc1ccc2occc2c1 7a_100000067418_200000210301 [0,1,0,1,0,0|1,0,1]=4 14556 B13R2.449 COCc1ccc2ocnc2c1 34a_100138415774_200010203175 [0,1,0,1,0,0|1,0,1]=4 14557 B13R2.449 CSCc1ccc2nonc2c1 62a_100000733437_200000210301 [0,1,0,1,0,0|2,0,0]=4 14558 B13R2.449 CSCc1ccc2nonc2c1 62a_200000210301_100000733437 [0,1,0,1,0,0|2,0,0]=4 14559 B13R2.449 CSCc1ccc2ocnc2c1 62a_200000210301_200010203175 [0,1,0,1,0,0|1,0,1]=4 14560 B13R2.449 FCNc1ccc2c(c1)CCC2 34a_100000211504_100015361967 [0,1,0,1,0,0|1,0,0]=3 14561 B13R2.449 FCNc1ccc2c(c1)CCO2 34a_100000736984_100015361967 [0,1,0,1,0,0|2,0,0]=4 14562 B13R2.449 FCNc1ccc2c(c1)COC2 34a_100011728444_100015361967 [0,1,0,1,0,0|2,0,0]=4 14563 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,1,0,1,0,0|2,0,0]=4 14564 B13R2.449 FCOc1ccc2c(c1)CCC2 34a_100000209987_100015361967 [0,1,0,1,0,0|0,0,0]=2 14565 B13R2.449 FCOc1ccc2c(c1)CCC2 7a_100000209987_100015361967 [0,1,0,1,0,0|0,0,0]=2 14566 B13R2.449 FCOc1ccc2c(c1)CCN2 34a_100020636429_100015361967 [0,1,0,1,0,0|1,0,0]=3 14567 B13R2.449 FCOc1ccc2c(c1)CNC2 34a_100015195982_100015361967 [0,1,0,1,0,0|1,0,0]=3 14568 B13R2.449 FCOc1ccc2c(c1)NCC2 34a_100020636427_100015361967 [0,1,0,1,0,0|1,0,0]=3 14569 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,1,0,1,0,0|2,0,0]=4 14570 B13R2.449 FCSc1ccc2c(c1)CCC2 62a_100000745594_100015361967 [0,1,0,1,0,0|0,1,0]=3 14571 B13R2.449 FCSc1ccc2c(c1)CCC2 62a_100015361967_100000745594 [0,1,0,1,0,0|0,1,0]=3 14572 B13R2.449 FCSc1ccc2c(c1)CCN2 62a_100000691068_100015361967 [0,1,0,1,0,0|1,1,0]=4 14573 B13R2.449 FCSc1ccc2c(c1)CCN2 62a_100015361967_100000691068 [0,1,0,1,0,0|1,1,0]=4 14574 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100000729065_100015361967 [0,1,0,1,0,0|1,1,0]=4 14575 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100015361967_100000729065 [0,1,0,1,0,0|1,1,0]=4 14576 B13R2.449 FCSc1ccc2c(c1)CNC2 62a_100000702344_100015361967 [0,1,0,1,0,0|1,1,0]=4 14577 B13R2.449 FCSc1ccc2c(c1)CNC2 62a_100015361967_100000702344 [0,1,0,1,0,0|1,1,0]=4 14578 B13R2.449 FCSc1ccc2c(c1)COC2 62a_100000698232_100015361967 [0,1,0,1,0,0|1,1,0]=4 14579 B13R2.449 FCSc1ccc2c(c1)COC2 62a_100015361967_100000698232 [0,1,0,1,0,0|1,1,0]=4 14580 B13R2.449 FCSc1ccc2c(c1)NCC2 62a_100000754641_100015361967 [0,1,0,1,0,0|1,1,0]=4 14581 B13R2.449 FCSc1ccc2c(c1)NCC2 62a_100015361967_100000754641 [0,1,0,1,0,0|1,1,0]=4 14582 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100009818566_100015361967 [0,1,0,1,0,0|1,1,0]=4 14583 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100015361967_100009818566 [0,1,0,1,0,0|1,1,0]=4 14584 B13R2.449 FCSc1ccc2c(n1)CCC2 62a_100000046531_100015361967 [0,1,0,1,0,0|1,1,0]=4 14585 B13R2.449 FCSc1ccc2c(n1)CCC2 62a_100015361967_100000046531 [0,1,0,1,0,0|1,1,0]=4 14586 B13R2.449 FCSc1cnc2c(c1)CCC2 62a_100000693888_100015361967 [0,1,0,1,0,0|1,1,0]=4 14587 B13R2.449 FCSc1cnc2c(c1)CCC2 62a_100015361967_100000693888 [0,1,0,1,0,0|1,1,0]=4 14588 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,1,0,1,0,0|1,0,0]=3 14589 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,1,0,1,0,0|1,0,0]=3 14590 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,1,0,1,0,0|1,0,0]=3 14591 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,1,0,1,0,0|1,0,0]=3 14592 B13R2.449 [13CH3]NCc1ccc2occc2c1 2230a_100020591328_200025704644 [0,1,0,1,0,0|1,0,1]=4 14593 B13R2.449 [13CH3]NCc1ccc2occc2c1 34a_100020591328_200025704644 [0,1,0,1,0,0|1,0,1]=4 14594 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 34a_200000765175_200025704644 [0,1,0,1,0,0|0,0,0]=2 14595 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 7a_200000765175_200025704644 [0,1,0,1,0,0|0,0,0]=2 14596 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,1,0,1,0,0|1,0,0]=3 14597 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,1,0,1,0,0|1,0,0]=3 14598 B13R2.449 [13CH3]OCc1ccc2c(c1)NCC2 34a_100000694088_200025704644 [0,1,0,1,0,0|1,0,0]=3 14599 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,1,0,0|1,0,0]=3 14600 B13R2.449 [13CH3]OCc1ccc2occc2c1 34a_100000067418_200025704644 [0,1,0,1,0,0|1,0,1]=4 14601 B13R2.449 [13CH3]OCc1ccc2occc2c1 7a_100000067418_200025704644 [0,1,0,1,0,0|1,0,1]=4 14602 B13R2.449 [13CH3]SCc1ccc2nonc2c1 62a_100000733437_200025704644 [0,1,0,1,0,0|2,0,0]=4 14603 B13R2.449 [13CH3]SCc1ccc2nonc2c1 62a_200025704644_100000733437 [0,1,0,1,0,0|2,0,0]=4 14604 B13R2.449 [13CH3]SCc1ccc2ocnc2c1 62a_200025704644_200010203175 [0,1,0,1,0,0|1,0,1]=4 14605 B13R2.84 C=Cc1ccc2c(c1N)CCC2 271570a_100011290941_202495424074 [0,1,0,1,0,0|1,0,1]=4 14606 B13R2.84 C=Cc1ccc2c(c1O)CCC2 271570a_100011290941_100010662108 [0,1,0,1,0,0|1,0,1]=4 14607 B13R2.84 CSc1ccc2c(c1F)CCN2 62a_100011013764_200000210301 [0,1,0,1,0,0|1,1,0]=4 14608 B13R2.84 CSc1ccc2c(c1F)CCN2 62a_200000210301_100011013764 [0,1,0,1,0,0|1,1,0]=4 14609 B13R2.84 CSc1ccc2c(c1N)CCC2 62a_200000210301_202495424074 [0,1,0,1,0,0|0,1,0]=3 14610 B13R2.84 CSc1ccc2c(c1N)CCC2 62a_202495424074_200000210301 [0,1,0,1,0,0|0,1,0]=3 14611 B13R2.84 CSc1ccc2c(c1O)CCC2 62a_100010662108_200000210301 [0,1,0,1,0,0|0,1,0]=3 14612 B13R2.84 CSc1ccc2c(c1O)CCC2 62a_200000210301_100010662108 [0,1,0,1,0,0|0,1,0]=3 14613 B13R2.84 [13CH3]Sc1ccc2c(c1F)CCN2 62a_100011013764_200025704644 [0,1,0,1,0,0|1,1,0]=4 14614 B13R2.84 [13CH3]Sc1ccc2c(c1F)CCN2 62a_200025704644_100011013764 [0,1,0,1,0,0|1,1,0]=4 14615 B13R2.84 [13CH3]Sc1ccc2c(c1N)CCC2 62a_200025704644_202495424074 [0,1,0,1,0,0|0,1,0]=3 14616 B13R2.84 [13CH3]Sc1ccc2c(c1N)CCC2 62a_202495424074_200025704644 [0,1,0,1,0,0|0,1,0]=3 14617 B13R2.84 [13CH3]Sc1ccc2c(c1O)CCC2 62a_100010662108_200025704644 [0,1,0,1,0,0|0,1,0]=3 14618 B13R2.84 [13CH3]Sc1ccc2c(c1O)CCC2 62a_200025704644_100010662108 [0,1,0,1,0,0|0,1,0]=3 14619 B13R2.599 C=Cc1cc2c(cc1O)CCC2 271570a_100011290941_200010659162 [0,1,0,1,0,0|1,0,1]=4 14620 B13R2.599 COc1cc2c(cc1Br)CCC2 34a_200010659162_200000210301 [0,1,0,1,0,0|0,0,0]=2 14621 B13R2.599 COc1cc2c(cc1Br)CCC2 7a_200010659162_200000210301 [0,1,0,1,0,0|0,0,0]=2 14622 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [0,1,0,1,0,0|2,0,0]=4 14623 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [0,1,0,1,0,0|2,0,0]=4 14624 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [0,1,0,1,0,0|2,0,0]=4 14625 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [0,1,0,1,0,0|2,0,0]=4 14626 B13R2.599 COc1cc2c(cc1F)CCC2 34a_200000146645_200000210301 [0,1,0,1,0,0|0,0,0]=2 14627 B13R2.599 COc1cc2c(cc1F)CCC2 7a_200000146645_200000210301 [0,1,0,1,0,0|0,0,0]=2 14628 B13R2.599 CSc1cc2c(cc1F)NCC2 62a_100012771920_200000210301 [0,1,0,1,0,0|1,1,0]=4 14629 B13R2.599 CSc1cc2c(cc1F)NCC2 62a_200000210301_100012771920 [0,1,0,1,0,0|1,1,0]=4 14630 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200000210301_200010659162 [0,1,0,1,0,0|0,1,0]=3 14631 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200010659162_200000210301 [0,1,0,1,0,0|0,1,0]=3 14632 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [0,1,0,1,0,0|2,0,0]=4 14633 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [0,1,0,1,0,0|2,0,0]=4 14634 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 34a_200010659162_200025704644 [0,1,0,1,0,0|0,0,0]=2 14635 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 7a_200010659162_200025704644 [0,1,0,1,0,0|0,0,0]=2 14636 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [0,1,0,1,0,0|2,0,0]=4 14637 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [0,1,0,1,0,0|2,0,0]=4 14638 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 34a_200000146645_200025704644 [0,1,0,1,0,0|0,0,0]=2 14639 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 7a_200000146645_200025704644 [0,1,0,1,0,0|0,0,0]=2 14640 B13R2.599 [13CH3]Sc1cc2c(cc1F)NCC2 62a_100012771920_200025704644 [0,1,0,1,0,0|1,1,0]=4 14641 B13R2.599 [13CH3]Sc1cc2c(cc1F)NCC2 62a_200025704644_100012771920 [0,1,0,1,0,0|1,1,0]=4 14642 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200010659162_200025704644 [0,1,0,1,0,0|0,1,0]=3 14643 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200025704644_200010659162 [0,1,0,1,0,0|0,1,0]=3 14644 B13R2.2396 C=Cc1ccc(cc1F)C2CC2 271570a_100011290941_100010281179 [0,1,0,1,0,0|1,0,1]=4 14645 B13R2.2396 CCc1ccc(cc1F)C2CC2 271570a_100011220607_200010071577 [0,1,0,1,0,0|1,0,0]=3 14646 B13R2.2396 CCc1ccc(cc1N)C2CC2 271570a_100011220607_100012354963 [0,1,0,1,0,0|1,0,0]=3 14647 B13R2.2396 CNc1ccc(cc1C)C2CC2 271570a_100011220607_100000221803 [0,1,0,1,0,0|1,0,0]=3 14648 B13R2.2396 CNc1ccc(cc1F)C2CC2 271570a_100011220607_100000743884 [0,1,0,1,0,0|1,0,0]=3 14649 B13R2.2396 CNc1ccc(cc1F)C2CC2 34a_200011279746_200000210301 [0,1,0,1,0,0|1,0,0]=3 14650 B13R2.2396 CNc1ccc(cc1F)C2CC2 7a_200011279746_200000210301 [0,1,0,1,0,0|1,0,0]=3 14651 B13R2.2396 CNc1ccc(cc1N)C2CC2 271570a_100011220607_100000741790 [0,1,0,1,0,0|1,0,0]=3 14652 B13R2.2396 CNc1cnc(cc1N)C2CC2 271570a_100011220607_200015721873 [0,1,0,1,0,0|2,0,0]=4 14653 B13R2.2396 CNc1ncc(cc1C)C2CC2 271570a_100011220607_100012357622 [0,1,0,1,0,0|2,0,0]=4 14654 B13R2.2396 CNc1ncc(cc1N)C2CC2 271570a_100011220607_100011432983 [0,1,0,1,0,0|2,0,0]=4 14655 B13R2.2396 COc1ccc(cc1Br)C2CC2 271570a_100011220607_100011249507 [0,1,0,1,0,0|0,0,0]=2 14656 B13R2.2396 COc1ccc(cc1Br)C2CC2 34a_100135415898_200000210301 [0,1,0,1,0,0|0,0,0]=2 14657 B13R2.2396 COc1ccc(cc1Br)C2CC2 7a_100135415898_200000210301 [0,1,0,1,0,0|0,0,0]=2 14658 B13R2.2396 COc1ccc(cc1C)C2CC2 271570a_100011220607_100011219705 [0,1,0,1,0,0|0,0,0]=2 14659 B13R2.2396 COc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012355395 [0,1,0,1,0,0|0,0,0]=2 14660 B13R2.2396 COc1ccc(cc1F)C2CC2 271570a_100011220607_100000185480 [0,1,0,1,0,0|0,0,0]=2 14661 B13R2.2396 COc1ccc(cc1F)C2CC2 34a_100013172525_200000210301 [0,1,0,1,0,0|0,0,0]=2 14662 B13R2.2396 COc1ccc(cc1F)C2CC2 7a_100013172525_200000210301 [0,1,0,1,0,0|0,0,0]=2 14663 B13R2.2396 COc1ccc(cc1N)C2CC2 271570a_100011220607_100000743470 [0,1,0,1,0,0|0,0,0]=2 14664 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [0,1,0,1,0,0|0,0,0]=2 14665 B13R2.2396 COc1ccc(nc1Br)C2CC2 271570a_100011220607_100010214827 [0,1,0,1,0,0|1,0,0]=3 14666 B13R2.2396 COc1ccc(nc1C)C2CC2 271570a_100011220607_100010244750 [0,1,0,1,0,0|1,0,0]=3 14667 B13R2.2396 COc1ccc(nc1Cl)C2CC2 271570a_100011220607_100010233546 [0,1,0,1,0,0|1,0,0]=3 14668 B13R2.2396 COc1ccc(nc1F)C2CC2 271570a_100011220607_100010138636 [0,1,0,1,0,0|1,0,0]=3 14669 B13R2.2396 COc1ccc(nc1N)C2CC2 271570a_100011220607_100010192976 [0,1,0,1,0,0|1,0,0]=3 14670 B13R2.2396 COc1cnc(cc1N)C2CC2 271570a_100011220607_100010896307 [0,1,0,1,0,0|1,0,0]=3 14671 B13R2.2396 COc1cnc(cc1O)C2CC2 271570a_100011220607_100010264082 [0,1,0,1,0,0|1,0,0]=3 14672 B13R2.2396 COc1cnc(nc1C)C2CC2 271570a_100011220607_100010382893 [0,1,0,1,0,0|2,0,0]=4 14673 B13R2.2396 COc1cnc(nc1N)C2CC2 271570a_100011220607_100009886850 [0,1,0,1,0,0|2,0,0]=4 14674 B13R2.2396 COc1ncc(cc1Br)C2CC2 271570a_100011220607_200010988584 [0,1,0,1,0,0|1,0,0]=3 14675 B13R2.2396 COc1ncc(cc1C)C2CC2 271570a_100011220607_100011290809 [0,1,0,1,0,0|1,0,0]=3 14676 B13R2.2396 COc1ncc(cc1F)C2CC2 271570a_100011220607_100011880707 [0,1,0,1,0,0|1,0,0]=3 14677 B13R2.2396 COc1ncc(cc1N)C2CC2 271570a_100011220607_100000748608 [0,1,0,1,0,0|1,0,0]=3 14678 B13R2.2396 COc1ncc(cc1O)C2CC2 271570a_100011220607_100010135713 [0,1,0,1,0,0|1,0,0]=3 14679 B13R2.2396 COc1nnc(cc1C)C2CC2 271570a_100011220607_100010272851 [0,1,0,1,0,0|2,0,0]=4 14680 B13R2.2396 CSc1ccc(cc1Cl)C2CC2 271570a_100011220607_206447510565 [0,1,0,1,0,0|0,1,0]=3 14681 B13R2.2396 CSc1ccc(cc1F)C2CC2 271570a_100011220607_100010161220 [0,1,0,1,0,0|0,1,0]=3 14682 B13R2.2396 CSc1ccc(cc1F)C2CC2 62a_100010281179_200000210301 [0,1,0,1,0,0|0,1,0]=3 14683 B13R2.2396 CSc1ccc(cc1F)C2CC2 62a_200000210301_100010281179 [0,1,0,1,0,0|0,1,0]=3 14684 B13R2.2396 Cc1cc(ccc1C#N)C2CC2 271570a_100011220607_100000687762 [0,1,0,1,0,0|2,0,0]=4 14685 B13R2.2396 Cc1cc(ccc1C=O)C2CC2 271570a_100011220607_100000687586 [0,1,0,1,0,0|2,0,0]=4 14686 B13R2.2396 Cc1cc(ccc1CF)C2CC2 271570a_100011220607_200010711859 [0,1,0,1,0,0|2,0,0]=4 14687 B13R2.2396 Cc1cc(ccc1CN)C2CC2 271570a_100011220607_100000753881 [0,1,0,1,0,0|2,0,0]=4 14688 B13R2.2396 Cc1cc(ccc1CO)C2CC2 271570a_100011220607_100000748258 [0,1,0,1,0,0|2,0,0]=4 14689 B13R2.2396 Cc1cc(ccc1NN)C2CC2 271570a_100011220607_100000751375 [0,1,0,1,0,0|2,0,0]=4 14690 B13R2.2396 N#Cc1ccc(cc1Br)C2CC2 271570a_100011220607_100012349582 [0,1,0,1,0,0|2,0,0]=4 14691 B13R2.2396 N#Cc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012349662 [0,1,0,1,0,0|2,0,0]=4 14692 B13R2.2396 N#Cc1ccc(cc1F)C2CC2 271570a_100011220607_100000037869 [0,1,0,1,0,0|2,0,0]=4 14693 B13R2.2396 N#Cc1ccc(cc1N)C2CC2 271570a_100011220607_100000699244 [0,1,0,1,0,0|2,0,0]=4 14694 B13R2.2396 N#Cc1ccc(cc1O)C2CC2 271570a_100011220607_100011934713 [0,1,0,1,0,0|2,0,0]=4 14695 B13R2.2396 NCc1ccc(cc1F)C2CC2 271570a_100011220607_100000754580 [0,1,0,1,0,0|2,0,0]=4 14696 B13R2.2396 NNc1ccc(cc1F)C2CC2 271570a_100011220607_100000751572 [0,1,0,1,0,0|2,0,0]=4 14697 B13R2.2396 Nc1cc(ccc1C=O)C2CC2 271570a_100011220607_100009814810 [0,1,0,1,0,0|2,0,0]=4 14698 B13R2.2396 Nc1cc(ccc1CO)C2CC2 271570a_100011220607_100000718831 [0,1,0,1,0,0|2,0,0]=4 14699 B13R2.2396 O=Cc1ccc(cc1Br)C2CC2 271570a_100011220607_100010185650 [0,1,0,1,0,0|2,0,0]=4 14700 B13R2.2396 O=Cc1ccc(cc1Cl)C2CC2 271570a_100011220607_100000727542 [0,1,0,1,0,0|2,0,0]=4 14701 B13R2.2396 O=Cc1ccc(cc1F)C2CC2 271570a_100011220607_100000211676 [0,1,0,1,0,0|2,0,0]=4 14702 B13R2.2396 O=Cc1ccc(cc1O)C2CC2 271570a_100011220607_100011277552 [0,1,0,1,0,0|2,0,0]=4 14703 B13R2.2396 OCc1ccc(cc1Br)C2CC2 271570a_100011220607_100010240206 [0,1,0,1,0,0|2,0,0]=4 14704 B13R2.2396 OCc1ccc(cc1F)C2CC2 271570a_100011220607_100011191541 [0,1,0,1,0,0|2,0,0]=4 14705 B13R2.2396 OCc1ccc(cc1O)C2CC2 271570a_100011220607_100000071718 [0,1,0,1,0,0|2,0,0]=4 14706 B13R2.2396 [13CH3]Nc1ccc(cc1F)C2CC2 34a_200011279746_200025704644 [0,1,0,1,0,0|1,0,0]=3 14707 B13R2.2396 [13CH3]Nc1ccc(cc1F)C2CC2 7a_200011279746_200025704644 [0,1,0,1,0,0|1,0,0]=3 14708 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 34a_100135415898_200025704644 [0,1,0,1,0,0|0,0,0]=2 14709 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 7a_100135415898_200025704644 [0,1,0,1,0,0|0,0,0]=2 14710 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 34a_100013172525_200025704644 [0,1,0,1,0,0|0,0,0]=2 14711 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 7a_100013172525_200025704644 [0,1,0,1,0,0|0,0,0]=2 14712 B13R2.2396 [13CH3]Sc1ccc(cc1F)C2CC2 62a_100010281179_200025704644 [0,1,0,1,0,0|0,1,0]=3 14713 B13R2.2396 [13CH3]Sc1ccc(cc1F)C2CC2 62a_200025704644_100010281179 [0,1,0,1,0,0|0,1,0]=3 14714 B13R3.56 c1cc2c(cc1C3CC3)CC2 271570a_100011220607_100009818592 [0,0,0,2,0,0|1,0,0]=3 14715 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,0,0,0,1,0|1,0,0]=3 14716 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,0,0,0,1,0|2,0,0]=4 14717 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [1,0,0,0,1,0|2,0,0]=4 14718 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [1,0,0,0,1,0|2,0,0]=4 14719 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,0,0,0,1,0|2,0,0]=4 14720 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,0,0,0,1,0|2,0,0]=4 14721 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,0,0,0,1,0|2,0,0]=4 14722 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,0,0,0,1,0|2,0,0]=4 14723 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [1,0,0,0,1,0|2,0,0]=4 14724 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [1,0,0,0,1,0|2,0,0]=4 14725 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [1,0,0,0,1,0|2,0,0]=4 14726 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [1,0,0,0,1,0|2,0,0]=4 14727 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [1,0,0,0,1,0|2,0,0]=4 14728 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [1,0,0,0,1,0|2,0,0]=4 14729 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [1,0,0,0,1,0|2,0,0]=4 14730 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,0,0,0,1,0|2,0,0]=4 14731 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,0,0,0,1,0|2,0,0]=4 14732 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,0,0,0,1,0|2,0,0]=4 14733 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [1,0,0,0,1,0|2,0,0]=4 14734 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [1,0,0,0,1,0|2,0,0]=4 14735 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [1,0,0,0,1,0|2,0,0]=4 14736 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [1,0,0,0,1,0|2,0,0]=4 14737 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [1,0,0,0,1,0|2,0,0]=4 14738 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [1,0,0,0,1,0|2,0,0]=4 14739 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [1,0,0,0,1,0|2,0,0]=4 14740 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [1,0,0,0,1,0|2,0,0]=4 14741 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [1,0,0,0,1,0|2,0,0]=4 14742 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,0,0,0,1,0|2,0,0]=4 14743 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,0,0,0,1,0|2,0,0]=4 14744 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,0,0,0,1,0|2,0,0]=4 14745 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,0,0,0,1,0|2,0,0]=4 14746 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,0,0,0,1,0|2,0,0]=4 14747 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,0,0,0,1,0|2,0,0]=4 14748 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [1,0,0,0,1,0|2,0,0]=4 14749 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,0,0,0,1,0|2,0,0]=4 14750 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [1,0,0,0,1,0|2,0,0]=4 14751 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [1,0,0,0,1,0|2,0,0]=4 14752 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [1,0,0,0,1,0|2,0,0]=4 14753 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [1,0,0,0,1,0|2,0,0]=4 14754 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [1,0,0,0,1,0|1,1,0]=4 14755 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [1,0,0,0,1,0|1,1,0]=4 14756 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [1,0,0,0,1,0|1,1,0]=4 14757 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [1,0,0,0,1,0|1,1,0]=4 14758 B9R1.21 CCc1cc(no1)OC 34a_200009875660_200000210301 [1,0,0,0,1,0|2,0,0]=4 14759 B9R1.21 CCc1cc(no1)O[13CH3] 34a_200009875660_200025704644 [1,0,0,0,1,0|2,0,0]=4 14760 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [1,0,0,0,1,0|1,1,0]=4 14761 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [1,0,0,0,1,0|1,1,0]=4 14762 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [1,0,0,0,1,0|1,1,0]=4 14763 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [1,0,0,0,1,0|1,1,0]=4 14764 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [1,0,0,0,1,0|2,0,0]=4 14765 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [1,0,0,0,1,0|2,0,0]=4