0 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C#CC(O)C1=CC=CN=C1 SY045266 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C#CC(O)C1=NC=CC=C1 SY045240 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CN(N=O)C1=CC=CC=C1 SY052228 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [0,0,0,0,0,0|0,0,0]=0 17 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [0,0,0,0,0,0|0,0,2]=2 18 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SY057978 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.15 NC(=NO)C1=CC=CC=C1 SY057185 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [0,0,0,0,0,0|1,0,3]=4 33 B10R1.15 O=CC(=O)C1=CC=CC=C1 SY047494 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.6 C1=CC=C(B(O)O)C=C1 SY257095 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 C=C(Br)C1=CC=CC=C1 SY011143 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.6 C=C(C)C1=NC=CC=C1 SY225338 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.6 CC(=O)C1=CC=NC=C1 SY005519 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 CC(=O)C1=CN=CC=N1 SY004986 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 CC(=O)C1=CN=CN=C1 SY005489 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(=O)C1=NC=CC=N1 SY004966 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [1,0,0,0,0,0|0,0,3]=4 46 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [1,0,0,0,0,0|0,0,3]=4 47 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 CC(N)C1=CC=NN=C1 SY245175 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 CC(N)C1=NC=CC=N1 SY270479 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 CC(N)C1=NC=CN=C1 SY107192 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 C[C@@H](N)C1=NC=CC=N1 SY310791 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [1,0,0,0,0,0|0,0,1]=2 63 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.6 ClC(Cl)C1=CC=NC=C1 SY266181 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.6 NC(=O)C1=CC=NC=C1 SY018471 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 NC(=O)C1=CN=CC=C1 SY024804 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 NC(=O)C1=NC=CC=C1 SY048638 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 O=C(O)C1=CC=CC=C1 SY009192 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.6 O=C(O)C1=CC=NC=C1 SY002246 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.6 O=C(O)C1=CN=CC=C1 SY011111 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.6 O=C(O)C1=NC=CC=C1 SY001169 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.6 O=C([O-])C1=CC=CC=C1 SY010134 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.6 O=C([O-])C1=NC=CC=C1 SY037125 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.6 O=S([O-])C1=CC=NC=C1 SY249777 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.6 OB(O)C1=CC=CC=C1 SY001599 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [1,0,0,0,0,0|1,0,2]=4 87 B9R1.8 CCCC1=NC=CC=C1 SY035538 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 CNCC1=CC=CN=C1 SY002368 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CNCC1=CC=NC=C1 SY002386 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 CNCC1=NC=CC=C1 SY003781 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.8 COCC1=CC=CC=C1 SY049310 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.8 N#COC1=CC=CC=C1 SY139763 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 NCCC1=CC=CN=C1 SY003234 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 NNCC1=CC=CC=C1 SY004756 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 NNCC1=CC=CC=C1 SY004764 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 NNCC1=NC=CC=C1 SY042125 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 NOCC1=CC=CC=C1 SY005671 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 NOCC1=CC=CC=C1 SY018100 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.8 NOCC1=CC=CN=C1 SY029692 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 NOCC1=CC=CN=C1 SY281597 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 NOCC1=CC=NC=C1 SY281602 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 NOCC1=CC=NC=C1 SY281603 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 NOCC1=NC=CC=C1 SY281576 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.8 NOCC1=NC=CC=C1 SY281577 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.8 O=C=NC1=NC=CC=C1 SY128122 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 O=CNC1=CC=CC=C1 SY011224 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.8 O=COC1=CC=CC=C1 SY106351 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.8 OCCC1=CC=CN=C1 SY004170 [1,0,0,0,0,0|1,0,2]=4 110 B9R1.8 OCCC1=CC=NC=C1 SY001138 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.8 ONCC1=CC=CC=C1 SY019534 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.8 ONCC1=CC=CC=C1 SY024088 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.8 O\N=C\C1=CC=CC=C1 SY112944 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.8 SCCC1=CC=CC=C1 SY039368 [1,0,0,0,0,0|0,1,1]=3 115 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 SY015926 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 SY019515 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY001232 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.7 CC(C)(CO)C1=CC=CC=C1 SY036229 [0,1,0,0,0,0|0,0,2]=3 120 B11R1.7 CC(N)(C#N)C1=CC=CC=C1 SY039093 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY034658 [0,1,0,0,0,0|0,0,2]=3 122 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY159712 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.7 COP(C)(=O)C1=CC=CC=C1 SY300619 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 SY043367 [0,1,0,0,0,0|2,1,0]=4 125 B11R1.7 NCC(F)(F)C1=CC=CC=C1 SY026016 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.12 C1=CC=C(N(CC)CC)C=C1 SY246295 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.12 CO[C@H](CN)C1=CC=CC=C1 SY286579 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.12 OCC(CO)C1=CC=CC=C1 SY020513 [0,1,0,0,0,0|0,0,2]=3 129 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.16 CN(CCI)C1=CC=CC=C1 SY268256 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [0,1,0,0,0,0|1,0,2]=4 135 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SY018003 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 C#CC(O)C1=CC=C(Br)C=C1 SY045249 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.22 C#CC(O)C1=CC=C(C)C=C1 SY045244 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 C#CC(O)C1=CC=C(Cl)C=C1 SY045243 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 C#CC(O)C1=CC=C(F)C=C1 SY045245 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 SY283036 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.22 NC(CO)C1=CC=C(F)C=C1 SY047985 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.22 NCC(O)C1=CC=C(O)C=C1 SY039785 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 SY121979 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 SY111431 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 SY212721 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.23 C#CC(O)C1=CC=CC(Br)=C1 SY045262 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.23 C#CC(O)C1=CC=CC(C)=C1 SY045250 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.23 C#CC(O)C1=CC=CC(Cl)=C1 SY045256 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.23 C#CC(O)C1=CC=CC(F)=C1 SY045264 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 SY008094 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 SY116141 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY120659 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY253690 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 SY031948 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SY051220 [0,1,0,0,0,0|0,0,2]=3 162 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SY036428 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SY053096 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SY004963 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 SY020842 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 SY021075 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SY006358 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.36 NC(C(=O)O)C1=CC=CN=C1 SY015083 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.36 NC(C(=O)O)C1=CC=CN=C1 SY184594 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 SY022365 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 SY032366 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 SY006196 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 SY005672 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SY004129 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 SY110356 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY001670 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY289327 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SY001645 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.222 C#CC(O)C1=CC=CC=C1Br SY045260 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.222 C#CC(O)C1=CC=CC=C1C SY045248 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.222 C#CC(O)C1=CC=CC=C1Cl SY045255 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.222 C#CC(O)C1=CC=CC=C1F SY045263 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.222 C#CC(O)C1=CC=CC=C1O SY045252 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.222 CC(C#N)C1=CC=CC=C1Cl SY035560 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.222 N#CC(F)C1=CC=CC=C1Cl SY251729 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034840 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034841 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl SY033747 [0,1,0,0,0,0|1,0,2]=4 191 B11R2.1 BrC1=COC2=C1C=CC=C2 SY004448 [0,0,0,1,0,0|1,0,2]=4 192 B11R2.1 BrC1=CSC2=CC=CC=C12 SY062543 [0,0,0,1,0,0|1,1,1]=4 193 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [0,0,0,1,0,0|2,0,0]=3 194 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.1 CC1=C2C=CC=CC2=NO1 SY246355 [0,0,0,1,0,0|2,0,1]=4 199 B11R2.1 CC1=CNC2=C1C=CC=N2 SY067108 [0,0,0,1,0,0|2,0,1]=4 200 B11R2.1 CC1=COC2=CC=CC=C12 SY028461 [0,0,0,1,0,0|0,0,2]=3 201 B11R2.1 CC1=NNC2=C1C=CC=C2 SY015996 [0,0,0,1,0,0|2,0,1]=4 202 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [0,0,0,1,0,0|1,0,1]=3 203 B11R2.1 CN1C=CC2=C1N=CC=C2 SY060390 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.1 NC1=CNC2=C1C=CC=C2 SY236577 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.1 NC1=CSC2=CC=CC=C12 SY151802 [0,0,0,1,0,0|1,1,1]=4 208 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [0,0,0,1,0,0|2,0,1]=4 210 B11R2.1 NC1COC2=CC=CC=C21 SY283285 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.1 NN1C=CC2=C1C=CC=C2 SY024456 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [0,0,0,1,0,0|1,0,1]=3 217 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002295 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002397 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [0,0,0,1,0,0|1,0,1]=3 223 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.11 CC(C#N)C1=COC=C1 SY261661 [0,0,0,0,1,0|2,0,1]=4 227 B11R1.40 C=CC(=O)NC1=CC=CC=C1 SY052499 [0,0,0,0,0,1|2,0,1]=4 228 B11R1.40 C=CC(=O)OC1=CC=CC=C1 SY050025 [0,0,0,0,0,1|2,0,1]=4 229 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [0,0,0,0,0,1|1,0,1]=3 230 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [0,0,0,0,0,1|2,0,1]=4 231 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [0,0,0,0,0,1|1,0,2]=4 232 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [0,0,0,0,0,1|1,0,2]=4 233 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SY048553 [0,0,0,0,0,1|1,0,1]=3 235 B8R1.2 BrCC1=CC=CN=C1 SY002302 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 CCC1=CCCC=C1 SY292098 [2,0,0,0,0,0|0,0,2]=4 237 B8R1.2 CC[N+]1=CC=CC=C1 SY073856 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.2 CNC1=CC=CN=C1 SY019910 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.2 CNC1=CC=NC=C1 SY007759 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 COC1=CC=CN=C1 SY024150 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 COC1=CC=NC=C1 SY003216 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 CSC1=NC=CC=C1 SY015557 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 ICC1=CC=CN=C1 SY027729 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 N#CC1=CC=CC=C1 SY007899 [2,0,0,0,0,0|1,0,1]=4 245 B8R1.2 NCC1=CC=CC=C1 SY020429 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.2 NOC1=CC=CC=C1 SY116626 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.2 O=CC1=CC=NN=C1 SY039203 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.2 O=CC1=CN=CN=C1 SY002007 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 O=CC1=NC=CN=C1 SY023908 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.2 O=CC1=NC=NC=C1 SY024569 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 O=NC1=CC=CC=C1 SY031930 [2,0,0,0,0,0|1,0,0]=3 252 B8R1.2 OCC1=CC=CC=N1 SY005684 [2,0,0,0,0,0|1,0,1]=4 253 B8R1.2 OCC1=CC=CN=C1 SY001086 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.2 OCC1=CC=NC=C1 SY003306 [2,0,0,0,0,0|1,0,1]=4 255 B8R1.2 [C-]#[N+]C1=CC=CC=C1 SY243548 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.13 C1=CC(Cl)=CC=C1N(C)C SY246299 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.13 C1=CC(F)=CC=C1N(C)C SY246298 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [1,1,0,0,0,0|0,0,1]=3 259 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [1,1,0,0,0,0|0,0,1]=3 260 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [1,1,0,0,0,0|0,0,1]=3 261 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [1,1,0,0,0,0|0,0,1]=3 262 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [1,1,0,0,0,0|0,0,1]=3 263 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SY007796 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.13 CC(=O)C1=CC=C(C)C=N1 SY005233 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SY063969 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SY017267 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.13 CC(=O)C1=CC=C(F)N=C1 SY022263 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [1,1,0,0,0,0|0,0,1]=3 269 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [1,1,0,0,0,0|0,0,1]=3 270 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [1,1,0,0,0,0|0,0,1]=3 271 B10R1.13 CC(=O)C1=CC=C(O)N=C1 SY022345 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 SY028282 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 SY022264 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.13 CC(C)C1=CC=C(Br)C=C1 SY002711 [1,1,0,0,0,0|0,0,1]=3 275 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 SY029740 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.13 CC(N)C1=CC=C(Br)C=C1 SY020147 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.13 CC(N)C1=CC=C(F)C=C1 SY002633 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.13 CC(N)C1=CC=C(F)N=C1 SY249602 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.13 CC(N)C1=NC=C(Br)C=C1 SY046404 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [1,1,0,0,0,0|0,0,1]=3 281 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [1,1,0,0,0,0|0,0,1]=3 282 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SY003713 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.13 CC1=CC=C(C(C)N)C=C1 SY002631 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.13 CC1=CC=C(C(F)F)C=C1 SY265627 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 CC1=CC=C(S(=O)O)C=C1 SY113268 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 SY013741 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SY013736 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 SY027100 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY009358 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY031357 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 SY007454 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [1,1,0,0,0,0|0,0,1]=3 298 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [1,1,0,0,0,0|0,0,1]=3 299 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [1,1,0,0,0,0|0,0,1]=3 300 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 SY009349 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 SY007451 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [1,1,0,0,0,0|0,0,1]=3 303 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [1,1,0,0,0,0|0,0,1]=3 304 B10R1.13 Cc1ccc(C(C)C)cc1 SY010591 [1,1,0,0,0,0|0,0,1]=3 305 B10R1.13 Cc1ccc(C(C)C)cc1 SY010592 [1,1,0,0,0,0|0,0,1]=3 306 B10R1.13 FC(F)C1=CC=C(Br)C=C1 SY041190 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SY036853 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 SY020099 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 SY048513 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SY013152 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SY004554 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SY003749 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.13 NC1=CC=C(C(F)F)C=C1 SY265648 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SY001067 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SY002326 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SY001592 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SY001356 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 SY037436 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.28 C1=CC=C(S(C)(=O)=O)C=C1 SY246294 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.28 CC(C)(C)C1=CC=NC=C1 SY010877 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.28 CC(C)(N)C1=CC=CC=C1 SY025865 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY010718 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY012360 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.28 CC(C)(N)C1=CC=CN=C1 SY022602 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.28 CC(C)(N)C1=CC=NC=C1 SY011554 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.28 CC(C)(O)C1=CC=CC=C1 SY021550 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.28 CC(C)(O)C1=CC=CN=C1 SY240215 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.28 CC(C)(O)C1=CC=NC=C1 SY006264 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.28 CC(C)(O)C1=NC=CC=C1 SY064823 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SY018221 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 SY301325 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.61 C=C(C)C1=CC=CC=C1F SY154483 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SY029921 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.61 CC(=O)C1=C(C)C=CC=N1 SY005230 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.61 CC(=O)C1=C(F)C=NC=C1 SY011662 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.61 CC(=O)C1=C(I)C=CC=C1 SY010667 [1,1,0,0,0,0|0,0,1]=3 337 B10R1.61 CC(=O)C1=CC=CC=C1Br SY002108 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.61 CC(=O)C1=CC=CC=C1C SY002283 [1,1,0,0,0,0|0,0,1]=3 339 B10R1.61 CC(=O)C1=CC=CC=C1N SY001368 [1,1,0,0,0,0|0,0,1]=3 340 B10R1.61 CC(=O)C1=CC=CN=C1C SY108212 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.61 CC(=O)C1=CC=CN=C1Cl SY007174 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.61 CC(=O)C1=CC=CN=C1F SY064682 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.61 CC(=O)C1=CC=CN=C1N SY040774 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.61 CC(=O)C1=NC=CC=C1Br SY029920 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.61 CC(=O)C1=NC=CC=C1F SY022346 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.61 CC(=O)C1=NC=CC=C1N SY240339 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.61 CC(C)C1=C(N)C=CC=C1 SY006015 [1,1,0,0,0,0|0,0,1]=3 348 B10R1.61 CC(C)C1=CC=CC=C1Br SY026917 [1,1,0,0,0,0|0,0,1]=3 349 B10R1.61 CC(C)C1=CC=CC=C1I SY048195 [1,1,0,0,0,0|0,0,1]=3 350 B10R1.61 CC(N)C1=CC=CC=C1Cl SY002632 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.61 CC(N)C1=CC=CC=C1F SY002510 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.61 CC(N)C1=CC=CC=C1F SY096571 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.61 CC(N)C1=CC=CC=C1O SY026082 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.61 CC(N)C1=CC=CN=C1F SY249601 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.61 CC(O)C1=C(Br)C=CC=C1 SY005052 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 SY005057 [1,1,0,0,0,0|0,0,1]=3 357 B10R1.61 CC(O)C1=C(F)C=CC=C1 SY005055 [1,1,0,0,0,0|0,0,1]=3 358 B10R1.61 CC(O)C1=C(N)C=CC=C1 SY005046 [1,1,0,0,0,0|0,0,1]=3 359 B10R1.61 CC1=C(C(=O)O)C=CC=C1 SY008811 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.61 CC1=C(C(C)N)C=CC=C1 SY006058 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.61 CC1=C(C(C)O)C=CC=C1 SY005056 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.61 CC1=CC=CC=C1C(C)N SY002511 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.61 CC1=CC=CC=C1C(F)F SY265643 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.61 CC1=NC=CC=C1C(C)N SY249588 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.61 CN(C)C1=CC=CC=C1Br SY024924 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.61 CN(C)C1=CC=CC=C1N SY032003 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.61 C[C@@H](O)C1=CC=CC=C1Br SY024770 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl SY024788 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.61 C[C@@H](O)C1=CC=CC=C1F SY040023 [1,1,0,0,0,0|0,0,1]=3 370 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY008657 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY224243 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SY024787 [1,1,0,0,0,0|0,0,1]=3 373 B10R1.61 C[C@H](O)C1=NC=CC=C1Br SY289336 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.61 FC(F)C1=CC=CC=C1Br SY035109 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.61 FC(F)C1=CC=CC=C1Cl SY265649 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.61 FC(F)C1=CC=CC=C1I SY265917 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.61 NC(=O)C1=C(I)C=CC=C1 SY013782 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 NC(=O)C1=CC=CC=C1Br SY026521 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.61 NC(=O)C1=CC=CC=C1F SY023168 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.61 NC(=O)C1=CC=CC=C1N SY001144 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.61 NC1=CC=CC=C1C(F)F SY265647 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 SY003796 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.61 O=C(O)C1=C(S)C=CC=C1 SY007814 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.61 O=C(O)C1=CC=CC=C1F SY001376 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.61 O=C(O)C1=CC=CC=C1I SY001344 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.61 O=C([O-])C1=CC=CC=C1O SY013574 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [1,1,0,0,0,0|0,0,1]=3 388 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 SY225323 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 SY225324 [1,1,0,0,0,0|0,0,1]=3 390 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 SY020986 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 SY117232 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.113 CC(=O)C1=CC(C)=CC=N1 SY005272 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SY007670 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.113 CC(=O)C1=CC(F)=CN=C1 SY105167 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [1,1,0,0,0,0|0,0,1]=3 396 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 SY005798 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SY015030 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [1,1,0,0,0,0|0,0,1]=3 402 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 SY043151 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.113 CC(C)C1=CC(Br)=NC=C1 SY224430 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.113 CC(C)C1=CC=CC(Br)=N1 SY006302 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.113 CC(C)C1=CC=CC(N)=C1 SY005822 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.113 CC(C)C1=CC=CC(N)=N1 SY006009 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.113 CC(N)C1=CC(Br)=NC=C1 SY248318 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY023019 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY037546 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 SY027082 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.113 CC(O)C1=CC=CC(Br)=C1 SY005048 [1,1,0,0,0,0|0,0,1]=3 412 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SY005051 [1,1,0,0,0,0|0,0,1]=3 413 B10R1.113 CC(O)C1=CC=CC(O)=C1 SY005071 [1,1,0,0,0,0|0,0,1]=3 414 B10R1.113 CC(O)C1=NC=CC(Br)=C1 SY037352 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.113 CC1=CC(C(F)F)=CC=C1 SY265638 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.113 CN(C)C1=CC(O)=CC=C1 SY003817 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.113 CN(C)C1=CC=CC(Br)=C1 SY101188 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.113 CN(C)C1=CC=CC(I)=C1 SY290789 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY010751 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY044787 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 SY008725 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 SY110609 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 SY239977 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SY107032 [1,1,0,0,0,0|0,0,1]=3 425 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029286 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029288 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 SY258403 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.113 FC(F)C1=CC=CC(Br)=C1 SY103994 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.113 FC(F)C1=CC=CC(Cl)=C1 SY265663 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.113 FC(F)C1=CC=CC(I)=C1 SY124950 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.113 NC(=O)C1=CC(F)=CC=C1 SY016219 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SY020170 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 SY030316 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.113 NC(=O)C1=CC=CC(I)=C1 SY041741 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SY012693 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SY001800 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.113 O=C(Cl)C1=CC=CC(F)=C1 SY006091 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SY001482 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 SY001122 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 O=C(O)C1=CC=CC(F)=C1 SY002150 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 O=C(O)C1=CC=CC(I)=C1 SY001406 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.1 C=CCC1=CC=C(O)C=C1 SY045829 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.1 CNCC1=CC=C(Br)C=C1 SY002627 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.1 CNCC1=CC=C(Br)C=C1 SY006057 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.1 CNCC1=CC=C(C)C=C1 SY004191 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.1 CNCC1=CC=C(C)C=C1 SY016090 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002430 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002434 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.1 CNCC1=CC=C(F)C=C1 SY002630 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.1 CNCC1=CC=C(N)C=C1 SY003698 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.1 CNCC1=CC=C(O)C=C1 SY018667 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.1 COCC1=CC=C(N)C=C1 SY003771 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.1 C\C=C/C1=CC=C(N)C=C1 SY293239 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.1 N#CCC1=CC=C(I)C=C1 SY030019 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.1 N#CCC1=CC=C(N)C=C1 SY015676 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [1,1,0,0,0,0|0,0,2]=4 464 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.1 O=CCC1=CC=C(Br)C=C1 SY110273 [1,1,0,0,0,0|0,0,0]=2 477 B10R1.1 O=CCC1=CC=C(Br)N=C1 SY253045 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [1,1,0,0,0,0|0,0,2]=4 480 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [1,1,0,0,0,0|0,0,2]=4 481 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [1,1,0,0,0,0|0,0,2]=4 484 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.4 O=C=NC1=CC=CC=C1Br SY021825 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,1,0,0,0,0|0,0,2]=4 510 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,1,0,0,0,0|0,0,2]=4 511 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,1,0,0,0,0|0,0,2]=4 512 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,1,0,0,0,0|0,0,2]=4 515 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002048 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002435 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.10 CNCC1=CC=CC(Cl)=C1 SY104087 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.10 O=CCC1=CC=CC(Br)=C1 SY239726 [1,1,0,0,0,0|0,0,0]=2 537 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,1,0,0,0,0|0,0,2]=4 539 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,1,0,0,0,0|0,0,2]=4 540 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.17 N#C\C=C\C1=CC=CC=C1 SY014969 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,1,0,0,0,0|0,0,2]=4 559 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,1,0,0,0,0|0,0,2]=4 560 B10R1.17 O=CC#CC1=CC=CC=C1 SY015622 [1,1,0,0,0,0|0,0,1]=3 561 B10R1.17 O=CNCC1=NC=CC=C1 SY236692 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,1,0,0,0,0|0,0,2]=4 563 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [1,1,0,0,0,0|0,0,2]=4 564 B10R1.18 BrC(Br)=CC1=CC=CC=C1 SY022051 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [1,1,0,0,0,0|0,0,2]=4 570 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.18 N=C(N)NC1=CC=CC=C1 SY059286 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [1,1,0,0,0,0|0,0,0]=2 573 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.18 O=C(O)CC1=CC=CN=C1 SY001707 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.18 O=C(O)CC1=CC=NC=C1 SY003595 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.18 O=C(O)CC1=CN=CN=C1 SY020567 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.18 O=C(O)CC1=NC=CC=C1 SY003293 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.18 O=C(O)CC1=NC=CC=N1 SY004102 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.18 O=C(O)CC1=NC=CN=C1 SY034525 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.23 CC(C(=O)O)C1=COC=C1 SY253516 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.23 C[C@H](C(=O)O)N1C=CN=C1 SY024266 [0,1,0,0,1,0|2,0,0]=4 582 B10R1.23 NC(C(=O)O)C1=CC=CS1 SY014049 [0,1,0,0,1,0|2,0,0]=4 583 B10R1.23 NC(C(=O)O)C1=CSC=C1 SY015213 [0,1,0,0,1,0|2,0,0]=4 584 B10R1.23 NC(C(=O)O)C1=CSC=C1 SY025903 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.23 O=C(O)C(F)C1=CSC=C1 SY263434 [0,1,0,0,1,0|2,0,0]=4 586 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,1,0,0,0,1|1,0,1]=4 587 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SY006039 [0,1,0,0,0,1|0,0,2]=4 588 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [0,1,0,0,0,1|0,0,0]=2 589 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,1,0,0,0,1|1,0,0]=3 590 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,1,0,0,0,1|1,0,0]=3 591 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,1,0,0,0,1|1,0,0]=3 592 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [0,1,0,0,0,1|1,0,0]=3 593 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SY057601 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O SY057718 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SY033040 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [0,1,0,0,0,1|1,0,0]=3 600 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,1,0,0,0,1|0,0,2]=4 602 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,1,0,0,0,1|1,0,1]=4 603 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,1,0,0,0,1|0,0,2]=4 604 B12R1.9 CC(C)(C#N)C1=CC=C(Br)C=C1 SY007396 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 SY008847 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.9 CC(C)(C#N)C1=CC=C(O)C=C1 SY288507 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.9 CC(C)(C=O)C1=NC=C(Br)C=N1 SY249673 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.39 C#CCC(C)(O)C1=CC=CC=C1 SY047143 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.39 CP(=O)(N=C=O)C1=CC=CC=C1 SY300622 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.195 CC(C)(CO)C1=CC=CC=C1Cl SY035191 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 SY001281 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.253 CC(C)(C(=O)O)C1=CC=CN=C1 SY096551 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 SY039080 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SY131631 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 SY024052 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 SY036812 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 SY012964 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 SY013786 [0,2,0,0,0,0|0,0,0]=2 619 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SY021799 [0,2,0,0,0,0|0,0,0]=2 620 B12R1.478 N#CC(C(=O)O)C1=CC=CC=C1 SY263427 [0,2,0,0,0,0|0,0,1]=3 621 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 SY126741 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 SY009488 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 SY030594 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,2,0,0,0,0|0,0,0]=2 626 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,2,0,0,0,0|0,0,0]=2 627 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 SY008636 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [0,2,0,0,0,0|0,0,0]=2 630 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 SY013379 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SY045029 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.5 CC(CN)C1=CC=C(C#N)C=C1 SY275840 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 SY249502 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 SY249851 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 SY021366 [0,2,0,0,0,0|0,0,0]=2 640 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 SY229641 [0,2,0,0,0,0|0,0,0]=2 641 B12R1.20 CC(C(N)=O)C1=CC=C(Br)C=C1 SY233699 [0,2,0,0,0,0|0,0,0]=2 642 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SY023256 [0,2,0,0,0,0|0,0,0]=2 643 B12R1.20 CC1=CC=C(C(F)C(=O)O)C=C1 SY263432 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 SY232364 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.20 C[C@H](C(=O)O)C1=CC=C(O)C=C1 SY232323 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 SY004786 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 SY017756 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SY004676 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SY015212 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 SY032272 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.20 NC1=CC=C([C@@H](O)C(=O)O)C=C1 SY290823 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 SY004700 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 SY036146 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 SY034129 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 SY004699 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 SY047013 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 SY042913 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.20 O=C(O)C(F)C1=CC=C(Cl)C=C1 SY263425 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SY018914 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SY016990 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 SY264087 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.1703 O=CC(=O)C1=CC=C(Cl)C=C1Cl SY296940 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.225 CC(C(=O)O)C1=CC=CC(Br)=C1 SY043041 [0,2,0,0,0,0|0,0,0]=2 664 B12R1.225 CC(C1=CC(O)=CC=C1)N(C)C SY102287 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.225 CC1=CC(C(F)C(=O)O)=CC=C1 SY263431 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 SY016290 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C SY067144 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 SY026156 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 SY014427 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 SY028540 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 SY015758 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.225 O=C(O)C(F)C1=CC=CC(Cl)=C1 SY263428 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SY239962 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.124 CC1=CC=CC=C1C(F)C(=O)O SY263430 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.124 NC(C(=O)O)C1=C(Br)C=CC=C1 SY014220 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 SY014107 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F SY265519 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.124 O=C(O)C(F)C1=CC=CC=C1Cl SY263429 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 SY004557 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl SY008252 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.564 CC(C1=CC=CC=C1)P(=O)(O)O SY284584 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.2 C=CC1=CC=CC(C)=C1C SY166935 [0,0,1,1,0,0|1,0,1]=4 683 B10R2.6 C1=CC(C2CC2)=CC=N1 SY275036 [1,0,0,1,0,0|1,0,1]=4 684 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 SY033347 [1,0,0,1,0,0|0,0,1]=3 685 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 SY032955 [1,0,0,1,0,0|0,0,1]=3 686 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,1,0,0|0,0,1]=3 687 B10R2.7 C1=CC2=C(C=C1)CNC2 SY006502 [1,0,0,1,0,0|2,0,0]=4 688 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [1,0,0,1,0,0|1,0,1]=4 689 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [1,0,0,1,0,0|0,0,2]=4 690 B10R2.7 C1=CC=C2CNCC2=C1 SY006104 [1,0,0,1,0,0|2,0,0]=4 691 B10R2.7 C1=CC=C2CSCC2=C1 SY143431 [1,0,0,1,0,0|2,0,0]=4 692 B10R2.7 C1=CC=C2NC=NC2=C1 SY012765 [1,0,0,1,0,0|2,0,0]=4 693 B10R2.7 C1=CC=C2SC=CC2=C1 SY246286 [1,0,0,1,0,0|0,1,1]=4 694 B10R2.7 C1=CC=C2[Se]C=CC2=C1 SY263659 [1,0,0,1,0,0|0,1,1]=4 695 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,0,0,1,0,1|0,0,0]=2 696 B12R2.18 NN1SC2=CC=CC=C2C1=O SY294805 [0,0,0,1,0,1|2,0,0]=4 697 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [0,0,0,1,0,1|1,0,1]=4 698 B12R2.18 O=C1NC2=CC=CC=C2C1=O SY005277 [0,0,0,1,0,1|1,0,1]=4 699 B12R2.18 O=C1OC2=CC=CC=C2C1=O SY023499 [0,0,0,1,0,1|1,0,1]=4 700 B12R2.24 CC1=CC2=CC=CC=C2N=C1 SY048469 [0,0,0,1,0,1|1,0,1]=4 701 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,0,0,1,0,1|1,0,1]=4 702 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [0,0,0,1,0,1|2,0,0]=4 703 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 SY042244 [0,0,0,1,0,1|0,0,2]=4 704 B12R2.32 O=CC1=CC2=CC=CC=C2O1 SY013762 [0,0,0,1,0,1|0,0,2]=4 705 B12R2.32 O=CC1=CC2=CC=CC=C2S1 SY019968 [0,0,0,1,0,1|0,0,2]=4 706 B12R2.32 O=CC1=NC2=CC=CC=C2N1 SY025423 [0,0,0,1,0,1|1,0,1]=4 707 B12R2.32 O=CC1=NC2=CC=CC=C2O1 SY206427 [0,0,0,1,0,1|1,0,1]=4 708 B12R2.32 O=CC1=NC2=CC=CC=C2S1 SY059450 [0,0,0,1,0,1|1,0,1]=4 709 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,0,0,1,0,1|0,0,2]=4 710 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,0,0,1,0,1|0,0,2]=4 711 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 SY001025 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SY002172 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SY168890 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY006040 [0,1,0,1,0,0|1,0,1]=4 715 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY007956 [0,1,0,1,0,0|1,0,1]=4 716 B12R2.2403 CC1(C)C=CC2=C1C=CC=C2 SY297315 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.2403 CC1(C)SCC2=CC=CC=C21 SY275438 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.2403 CC1(O)COC2=CC=CC=C21 SY308287 [0,1,0,1,0,0|0,0,2]=4 720 B12R2.1 ClCC1=COC2=CC=CC=C12 SY045686 [0,1,0,1,0,0|0,0,2]=4 721 B12R2.1 NCC1=CNC2=C1C=CC=C2 SY026632 [0,1,0,1,0,0|1,0,1]=4 722 B12R2.1 NCC1=COC2=CC=CC=C12 SY026635 [0,1,0,1,0,0|0,0,2]=4 723 B12R2.1 NCC1=CSC2=CC=CC=C12 SY027010 [0,1,0,1,0,0|0,1,1]=4 724 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022297 [0,1,0,1,0,0|1,0,1]=4 725 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022653 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.1 O=CC1=C2C=CC=CC2=NO1 SY246815 [0,1,0,1,0,0|1,0,1]=4 727 B12R2.1 O=CC1=COC2=CC=CC=C12 SY023570 [0,1,0,1,0,0|0,0,2]=4 728 B12R2.1 O=CC1=CSC2=C1C=CC=C2 SY014520 [0,1,0,1,0,0|0,0,2]=4 729 B12R2.1 O=CC1=NNC2=C1C=CC=C2 SY004602 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.1 OCC1=CNC2=C1C=CC=C2 SY015976 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.1 OCC1=COC2=CC=CC=C12 SY045671 [0,1,0,1,0,0|0,0,2]=4 732 B12R2.1 OCC1CCC2=C1C=CC=C2 SY030168 [0,1,0,1,0,0|0,0,2]=4 733 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [0,1,0,1,0,0|1,0,1]=4 734 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SY023454 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [0,1,0,1,0,0|1,0,1]=4 736 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 SY247998 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY023849 [0,1,0,1,0,0|1,0,1]=4 738 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY245835 [0,1,0,1,0,0|1,0,1]=4 739 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,1,0,1,0,0|0,0,0]=2 740 B12R2.1081 CC1NCCC2=C1C=CC=C2 SY027949 [0,1,0,1,0,0|1,0,1]=4 741 B12R2.2028 CC1OB(O)C2=CC=CC=C21 SY274016 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SY037066 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.2028 O=C1C=C(Br)C2=C1C=CC=C2 SY268545 [0,1,0,1,0,0|1,0,1]=4 744 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 SY014846 [0,1,0,1,0,0|1,0,1]=4 745 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 SY031995 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SY036169 [0,1,0,1,0,0|1,0,0]=3 747 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 SY270554 [0,1,0,1,0,0|1,0,0]=3 748 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 SY041374 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 SY001384 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 SY047274 [0,1,0,1,0,0|1,0,1]=4 751 B12R2.79 NC1CC1C2=CC=C(F)C=C2 SY044993 [0,1,0,1,0,0|1,0,1]=4 752 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY045000 [0,1,0,1,0,0|1,0,1]=4 753 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY045001 [0,1,0,1,0,0|1,0,1]=4 754 B12R2.612 CC1=COC2=CC(Br)=CC=C12 SY294090 [0,1,0,1,0,0|0,0,2]=4 755 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 SY104081 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 SY063835 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 SY026519 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.2302 BrC1=CC=C(C2CCN2)C=C1 SY197341 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 SY019231 [0,1,0,1,0,0|1,0,1]=4 760 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 SY245483 [0,1,0,1,0,0|1,0,1]=4 761 B12R2.2302 CC1=CC=C(C2CNC2)C=C1 SY267182 [0,1,0,1,0,0|1,0,1]=4 762 B12R2.2302 CC1=CC=C(C2CNC2)C=C1 SY267183 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY258053 [0,1,0,1,0,0|1,0,1]=4 764 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY267181 [0,1,0,1,0,0|1,0,1]=4 765 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 SY139771 [0,1,0,1,0,0|1,0,1]=4 766 B12R2.80 N[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY122639 [0,1,0,1,0,0|1,0,1]=4 767 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SY062850 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.132 CC1=COC2=CC=C(Br)C=C12 SY027158 [0,1,0,1,0,0|0,0,2]=4 769 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 SY006491 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.132 CN1C=NC2=CC=C(N)C=C21 SY104268 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 SY113269 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY234047 [0,1,0,1,0,0|1,0,1]=4 773 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY267493 [0,1,0,1,0,0|1,0,1]=4 774 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267221 [0,1,0,1,0,0|1,0,1]=4 775 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267222 [0,1,0,1,0,0|1,0,1]=4 776 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY139836 [0,1,0,1,0,0|1,0,1]=4 777 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY267172 [0,1,0,1,0,0|1,0,1]=4 778 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 SY002735 [0,1,0,1,0,0|1,0,1]=4 779 B12R2.92 FC1(F)CC1C2=CC=CC=C2 SY295850 [0,1,0,1,0,0|1,0,1]=4 780 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [0,1,0,1,0,0|0,0,0]=2 781 B12R2.203 CC1=CNC2=C1C(Br)=CC=C2 SY031146 [0,1,0,1,0,0|1,0,1]=4 782 B12R2.203 CN1C=NC2=CC=CC(N)=C21 SY023500 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267184 [0,1,0,1,0,0|1,0,1]=4 784 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267185 [0,1,0,1,0,0|1,0,1]=4 785 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267201 [0,1,0,1,0,0|1,0,1]=4 786 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267202 [0,1,0,1,0,0|1,0,1]=4 787 B8R1.7 C=C(C)C1=CC=CO1 SY225341 [1,0,0,0,1,0|1,0,1]=4 788 B8R1.7 C=C(C)C1=CC=CS1 SY225340 [1,0,0,0,1,0|1,0,1]=4 789 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [1,0,0,0,1,0|1,0,1]=4 790 B8R1.7 CC(=O)C1=CSC=C1 SY009376 [1,0,0,0,1,0|1,0,1]=4 791 B8R1.7 CC(C)N1C=CC=C1 SY300558 [1,0,0,0,1,0|1,0,1]=4 792 B8R1.7 C[C@@H](N)C1=CC=CS1 SY193850 [1,0,0,0,1,0|2,0,0]=4 793 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [0,0,0,0,0,2|0,0,2]=4 794 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [0,0,0,0,0,2|0,0,2]=4