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|1,0,1]=2 6 B10R1.15 CCC(=O)C1=CC=CC=N1 SY005362 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CN(N=O)C1=CC=CC=C1 SY052228 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [0,0,0,0,0,0|0,0,0]=0 17 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [0,0,0,0,0,0|1,0,1]=2 18 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SY057978 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 N=C(NN)C1=NC=CC=C1 SY114159 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 NC(=NO)C1=CC=CC=C1 SY057185 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.15 NNC(=O)C1=CC=NC=C1 SY010614 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.15 NNC(=O)C1=CN=CC=C1 SY033050 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 NNC(=O)C1=NC=CC=C1 SY021575 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.15 O=C(CBr)C1=CC=CN=C1 SY023116 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.15 O=C(CBr)C1=NC=CC=C1 SY007962 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.15 O=C(CBr)C1=NC=CC=C1 SY226653 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 O=C(CCl)C1=CC=NC=C1 SY011676 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.15 O=C(CO)C1=CC=CN=C1 SY131032 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.15 O=C(CO)C1=CC=NC=C1 SY131033 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.15 O=C(CO)C1=NC=CC=C1 SY131031 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.15 O=CC(=O)C1=CC=CC=C1 SY047494 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.6 C1=CC=C(B(O)O)C=C1 SY257095 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 C=C(Br)C1=CC=CC=C1 SY011143 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.6 C=C(C)C1=NC=CC=C1 SY225338 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.6 CC(=O)C1=CC=NC=C1 SY005519 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [1,0,0,0,0,0|0,0,2]=3 55 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [1,0,0,0,0,0|0,0,2]=3 56 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.6 CC(N)C1=CC=NN=C1 SY245175 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 CC(N)C1=NC=CC=N1 SY270479 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 CC(N)C1=NC=CN=C1 SY107192 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 C[C@@H](N)C1=NC=CC=N1 SY310791 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 ClC(Cl)C1=CC=NC=C1 SY266181 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.6 N=C(N)C1=CC=NC=C1 SY018012 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.6 N=C(N)C1=CN=CC=C1 SY007646 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.6 N=C(N)C1=NC=CC=C1 SY018011 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [1,0,0,0,0,0|1,0,1]=3 86 B9R1.6 NC(=O)C1=CC=NC=C1 SY018471 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.6 NC(=O)C1=CN=CC=C1 SY024804 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.6 NC(=O)C1=NC=CC=C1 SY048638 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.6 NC(=S)C1=CC=CN=C1 SY026920 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.6 NC(=S)C1=CC=NC=C1 SY026921 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.6 NC(=S)C1=NC=CC=C1 SY032222 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.6 O=C(O)C1=CC=CC=C1 SY009192 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.6 O=C([O-])C1=CC=CC=C1 SY010134 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.6 OB(O)C1=CC=CC=C1 SY001599 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.8 CCCC1=CC=CCC1 SY292099 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.8 CCCC1=NC=CC=C1 SY035538 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 CNCC1=CC=CN=C1 SY002368 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.8 CNCC1=CC=NC=C1 SY002386 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 CNCC1=NC=CC=C1 SY003781 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 COCC1=CC=CC=C1 SY049310 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.8 N#COC1=CC=CC=C1 SY139763 [1,0,0,0,0,0|1,0,2]=4 105 B9R1.8 NCCC1=CC=CN=C1 SY003234 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.8 NNCC1=CC=CC=C1 SY004756 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.8 NNCC1=CC=CC=C1 SY004764 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.8 NNCC1=NC=CC=C1 SY042125 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 NOCC1=CC=CC=C1 SY005671 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.8 NOCC1=CC=CC=C1 SY018100 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.8 NOCC1=CC=CN=C1 SY029692 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 NOCC1=CC=CN=C1 SY281597 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.8 NOCC1=CC=NC=C1 SY281602 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.8 NOCC1=CC=NC=C1 SY281603 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.8 NOCC1=NC=CC=C1 SY281576 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 NOCC1=NC=CC=C1 SY281577 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 O=CNC1=CC=CC=C1 SY011224 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 O=COC1=CC=CC=C1 SY106351 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 OCCC1=CC=CN=C1 SY004170 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.8 OCCC1=CC=NC=C1 SY001138 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.8 OCCC1=NC=CN=C1 SY025413 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.8 ONCC1=CC=CC=C1 SY019534 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.8 ONCC1=CC=CC=C1 SY024088 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.8 O\N=C\C1=CC=CC=C1 SY112944 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 SCCC1=CC=CC=C1 SY039368 [1,0,0,0,0,0|1,0,0]=2 126 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 SY015926 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY001232 [0,1,0,0,0,0|0,0,2]=3 129 B11R1.7 CC(C)(CO)C1=CC=CC=C1 SY036229 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.7 CC(N)(C#N)C1=CC=CC=C1 SY039093 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY034658 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY159712 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.7 COP(C)(=O)C1=CC=CC=C1 SY300619 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 SY043367 [0,1,0,0,0,0|2,1,0]=4 135 B11R1.7 NCC(F)(F)C1=CC=CC=C1 SY026016 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.12 C1=CC=C(N(CC)CC)C=C1 SY246295 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.12 CCB(CC)C1=CC=CN=C1 SY006709 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.12 CO[C@H](CN)C1=CC=CC=C1 SY286579 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.12 OCC(CO)C1=CC=CC=C1 SY020513 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.16 CCOC(=N)C1=CC=CC=C1 SY060984 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.16 CCO[PH](=O)C1=CC=CC=C1 SY257193 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.16 CN(CCI)C1=CC=CC=C1 SY268256 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SY011838 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.16 NCCC(=O)C1=CC=CC=C1 SY263195 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SY004650 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.16 O=C(OCI)C1=CC=CC=C1 SY036475 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 SY129671 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.22 C#CC(O)C1=CC=C(Br)C=C1 SY045249 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 C#CC(O)C1=CC=C(C)C=C1 SY045244 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.22 C#CC(O)C1=CC=C(Cl)C=C1 SY045243 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.22 C#CC(O)C1=CC=C(F)C=C1 SY045245 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 C=C(CBr)C1=CC=C(F)C=C1 SY274281 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SY022605 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 SY026844 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 SY048426 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SY001608 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SY049111 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SY002144 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SY003666 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.22 NC(CO)C1=CC=C(F)C=C1 SY047985 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 SY028321 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SY039916 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 SY020165 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.22 NCC(O)C1=CC=C(O)C=C1 SY039785 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 SY001789 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 SY035573 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 SY007335 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 SY036768 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 SY009530 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 SY121979 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 SY111431 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 SY212721 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 SY041321 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 SY096724 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 SY130953 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 SY130959 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 SY130961 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.23 C#CC(O)C1=CC=CC(Br)=C1 SY045262 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.23 C#CC(O)C1=CC=CC(C)=C1 SY045250 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.23 C#CC(O)C1=CC=CC(Cl)=C1 SY045256 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.23 C#CC(O)C1=CC=CC(F)=C1 SY045264 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.23 CC1=CC(C(=O)CO)=CC=C1 SY130975 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 SY004012 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 SY018227 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 SY016989 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 SY047086 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 SY008094 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 SY019239 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 SY040432 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 SY078945 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 SY116141 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY120659 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY253690 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 SY004172 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SY014721 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.23 O=C(CBr)C1=CC=CC(F)=C1 SY031402 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 SY130965 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 SY130969 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 SY130967 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.23 O=C(CO)C1=CC=CC(I)=C1 SY130987 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 SY031948 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SY053096 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SY004963 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.36 CC(C)C(N)C1=CC=CN=C1 SY014380 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.36 CC(C)C(N)C1=CC=NC=C1 SY014381 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.36 CC(C)C(N)C1=NC=CC=C1 SY014379 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.36 CC(C)C(O)C1=CC=CN=C1 SY129322 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 SY020842 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 SY021075 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SY006358 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 SY006196 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 SY005672 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SY061919 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 SY110356 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY001670 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY289327 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SY001645 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.222 C#CC(O)C1=CC=CC=C1Br SY045260 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.222 C#CC(O)C1=CC=CC=C1C SY045248 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.222 C#CC(O)C1=CC=CC=C1Cl SY045255 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.222 C#CC(O)C1=CC=CC=C1F SY045263 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.222 C#CC(O)C1=CC=CC=C1O SY045252 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.222 C=C(CBr)C1=CC=CC=C1F SY278021 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.222 CC(C#N)C1=CC=CC=C1Cl SY035560 [0,1,0,0,0,0|0,0,2]=3 242 B11R1.222 CC1=CC=CC=C1C(=O)CO SY130976 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 SY015244 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.222 CCC(=O)C1=CC=CC=C1Cl SY031881 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.222 CCC(=O)C1=CC=CC=C1F SY003995 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.222 N#CC(F)C1=CC=CC=C1Cl SY251729 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034840 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034841 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.222 NNC(=O)C1=CC=CC=C1N SY040605 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.222 O=C(CBr)C1=CC=CC=C1Br SY041192 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SY004173 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.222 O=C(CBr)C1=CC=CC=C1F SY022607 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.222 O=C(CO)C1=CC=CC=C1Br SY130966 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.222 O=C(CO)C1=CC=CC=C1Cl SY032642 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.222 O=C(CO)C1=CC=CC=C1F SY130968 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.222 O=C(CO)C1=CC=CC=C1I SY130988 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl SY033747 [0,1,0,0,0,0|2,0,0]=3 258 B11R2.1 BrC1=NNC2=C1C=CC=C2 SY021216 [0,0,0,1,0,0|2,0,1]=4 259 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [0,0,0,1,0,0|2,0,1]=4 260 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [0,0,0,1,0,0|2,0,1]=4 261 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [0,0,0,1,0,0|2,0,1]=4 262 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [0,0,0,1,0,0|1,0,2]=4 265 B11R2.1 CC1=C2C=CC=CC2=NO1 SY246355 [0,0,0,1,0,0|1,0,2]=4 266 B11R2.1 CC1=CNC2=C1C=CC=N2 SY067108 [0,0,0,1,0,0|1,0,2]=4 267 B11R2.1 CC1=COC2=CC=CC=C12 SY028461 [0,0,0,1,0,0|1,0,2]=4 268 B11R2.1 CC1=NNC2=C1C=CC=C2 SY015996 [0,0,0,1,0,0|1,0,1]=3 269 B11R2.1 CC1CCC2=NC=CN=C21 SY036943 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [0,0,0,1,0,0|0,0,0]=1 271 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [0,0,0,1,0,0|1,0,2]=4 272 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [0,0,0,1,0,0|1,0,0]=2 273 B11R2.1 IC1=NNC2=C1C=CC=C2 SY031006 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.1 NC1=CNC2=C1C=CC=C2 SY236577 [0,0,0,1,0,0|1,0,2]=4 275 B11R2.1 NC1=NNC2=C1C=CC=C2 SY007051 [0,0,0,1,0,0|2,0,1]=4 276 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [0,0,0,1,0,0|2,0,0]=3 277 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.1 NC1COC2=CC=CC=C21 SY283285 [0,0,0,1,0,0|2,0,0]=3 279 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [0,0,0,1,0,0|2,0,1]=4 283 B11R2.1 O=C1COC2=C1C=CC=C2 SY011530 [0,0,0,1,0,0|2,0,1]=4 284 B11R2.1 O=C1CSC2=CC=CC=C12 SY030591 [0,0,0,1,0,0|2,0,1]=4 285 B11R2.1 O=C1NNC2=C1C=CC=C2 SY051085 [0,0,0,1,0,0|2,0,1]=4 286 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [0,0,0,1,0,0|2,0,0]=3 287 B11R2.1 OC1CCC2=C1N=CC=C2 SY017306 [0,0,0,1,0,0|3,0,0]=4 288 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [0,0,0,1,0,0|2,0,0]=3 289 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [0,0,0,1,0,0|0,0,0]=1 290 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [0,0,0,1,0,0|0,0,0]=1 291 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002295 [0,0,0,1,0,0|2,0,0]=3 292 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002397 [0,0,0,1,0,0|2,0,0]=3 293 B11R2.40 NC1(C2=CC=CC=N2)CC1 SY012362 [0,0,0,1,0,0|3,0,0]=4 294 B11R2.40 NC1(C2=CC=NC=C2)CC1 SY248660 [0,0,0,1,0,0|3,0,0]=4 295 B11R2.40 NC1(C2=NC=CC=C2)CC1 SY010720 [0,0,0,1,0,0|3,0,0]=4 296 B11R2.40 OC1(C2=NC=CC=C2)CC1 SY262670 [0,0,0,1,0,0|3,0,0]=4 297 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [0,0,0,1,0,0|1,0,0]=2 298 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [0,0,0,1,0,0|1,0,0]=2 299 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [0,0,0,1,0,0|0,0,0]=1 300 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [0,0,0,1,0,0|1,0,0]=2 301 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [0,0,0,1,0,0|1,0,0]=2 302 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [0,0,0,1,0,0|1,0,0]=2 303 B9R1.11 CC(C#N)C1=COC=C1 SY261661 [0,0,0,0,1,0|1,0,2]=4 304 B9R1.11 CC(CN)C1=CN=CS1 SY271543 [0,0,0,0,1,0|2,0,0]=3 305 B9R1.11 NCC(=O)C1=CSC=C1 SY269123 [0,0,0,0,1,0|2,0,1]=4 306 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [0,0,0,0,0,1|0,0,2]=3 307 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [0,0,0,0,0,1|2,0,0]=3 309 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [0,0,0,0,0,1|2,0,1]=4 310 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [0,0,0,0,0,1|2,0,1]=4 311 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [0,0,0,0,0,1|2,0,0]=3 312 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [0,0,0,0,0,1|2,0,0]=3 313 B11R1.40 O=C(CBr)OC1=CC=CC=C1 SY036432 [0,0,0,0,0,1|2,0,1]=4 314 B8R1.2 BrCC1=CC=CN=C1 SY002302 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 CCC1=CCCC=C1 SY292098 [2,0,0,0,0,0|0,0,2]=4 316 B8R1.2 CC[N+]1=CC=CC=C1 SY073856 [2,0,0,0,0,0|1,0,0]=3 317 B8R1.2 CNC1=CC=CN=C1 SY019910 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 CNC1=CC=NC=C1 SY007759 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 COC1=CC=CN=C1 SY024150 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 COC1=CC=NC=C1 SY003216 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 CSC1=NC=CC=C1 SY015557 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 ICC1=CC=CN=C1 SY027729 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 N#CC1=CC=CC=C1 SY007899 [2,0,0,0,0,0|0,0,2]=4 324 B8R1.2 NCC1=CC=CC=C1 SY020429 [2,0,0,0,0,0|0,0,0]=2 325 B8R1.2 NCC1=CN=CN=C1 SY104794 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 NCC1=NC=CC=N1 SY019710 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 NCC1=NC=CC=N1 SY019711 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 NCC1=NC=CN=C1 SY006799 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 NCC1=NC=CN=C1 SY020278 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 NCC1=NC=NC=C1 SY041990 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 NNC1=CC=CC=N1 SY013843 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 NNC1=CC=CN=C1 SY018650 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 NNC1=CC=NC=C1 SY041995 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 NNC1=CC=NC=C1 SY128124 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 NOC1=CC=CC=C1 SY116626 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.2 NOC1=CC=CN=C1 SY282516 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 NOC1=CC=CN=C1 SY282517 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 NOC1=CC=NC=C1 SY282541 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 NOC1=CC=NC=C1 SY282542 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 O=NC1=CC=CC=C1 SY031930 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 OCC1=CC=CC=N1 SY005684 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 OCC1=CC=CN=C1 SY001086 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 OCC1=CC=NC=C1 SY003306 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 [C-]#[N+]C1=CC=CC=C1 SY243548 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.13 C1=CC(Cl)=CC=C1N(C)C SY246299 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.13 C1=CC(F)=CC=C1N(C)C SY246298 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [1,1,0,0,0,0|0,0,2]=4 349 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [1,1,0,0,0,0|0,0,2]=4 350 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [1,1,0,0,0,0|0,0,2]=4 351 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.13 CC(C)C1=CC=C(Br)C=C1 SY002711 [1,1,0,0,0,0|0,0,0]=2 356 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 SY029740 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.13 CC(N)C1=CC=C(Br)C=C1 SY020147 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.13 CC(N)C1=CC=C(F)C=C1 SY002633 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.13 CC(N)C1=CC=C(F)N=C1 SY249602 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.13 CC(N)C1=NC=C(Br)C=C1 SY046404 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.13 CC1=CC=C(C(C)N)C=C1 SY002631 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.13 CC1=CC=C(C(F)F)C=C1 SY265627 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SY013736 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 SY027100 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.13 CN(C)C1=NC=C(Br)C=C1 SY024322 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.13 CN(C)C1=NC=C(I)C=C1 SY096673 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY009358 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY031357 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 SY007454 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 SY009349 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 SY007451 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.13 Cc1ccc(C(C)C)cc1 SY010591 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.13 Cc1ccc(C(C)C)cc1 SY010592 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.13 FC(F)C1=CC=C(Br)C=C1 SY041190 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SY036853 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 SY014927 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SY014928 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SY032215 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SY017964 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.13 N=C(N)C1=CC=C(O)C=C1 SY018812 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 SY020099 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 SY048513 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SY013152 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SY004554 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.13 NC(=S)C1=CC=C(O)C=C1 SY030992 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.13 NC1=CC=C(C(F)F)C=C1 SY265648 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.28 C1=CC=C(S(C)(=O)=O)C=C1 SY246294 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.28 CC(C)(C)C1=CC=NC=C1 SY010877 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.28 CC(C)(N)C1=CC=CC=C1 SY025865 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY010718 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY012360 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.28 CC(C)(N)C1=CC=CN=C1 SY022602 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.28 CC(C)(N)C1=CC=NC=C1 SY011554 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.28 CC(C)(O)C1=CC=CC=C1 SY021550 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.28 CC(C)(O)C1=CC=CN=C1 SY240215 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.28 CC(C)(O)C1=CC=NC=C1 SY006264 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.28 CC(C)(O)C1=NC=CC=C1 SY064823 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SY018221 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.61 C=C(C)C1=CC=CC=C1F SY154483 [1,1,0,0,0,0|0,0,2]=4 412 B10R1.61 CC(=O)C1=C(I)C=CC=C1 SY010667 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.61 CC(=O)C1=CC=CC=C1Br SY002108 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.61 CC(=O)C1=CC=CC=C1C SY002283 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.61 CC(=O)C1=CC=CC=C1N SY001368 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.61 CC(C)C1=C(N)C=CC=C1 SY006015 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.61 CC(C)C1=CC=CC=C1Br SY026917 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.61 CC(C)C1=CC=CC=C1I SY048195 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.61 CC(N)C1=CC=CC=C1Cl SY002632 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.61 CC(N)C1=CC=CC=C1F SY002510 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.61 CC(N)C1=CC=CC=C1F SY096571 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.61 CC(N)C1=CC=CC=C1O SY026082 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.61 CC(N)C1=CC=CN=C1F SY249601 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.61 CC(O)C1=C(Br)C=CC=C1 SY005052 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 SY005057 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.61 CC(O)C1=C(F)C=CC=C1 SY005055 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.61 CC(O)C1=C(N)C=CC=C1 SY005046 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.61 CC1=C(C(=N)N)C=CC=C1 SY003976 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.61 CC1=C(C(C)N)C=CC=C1 SY006058 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.61 CC1=C(C(C)O)C=CC=C1 SY005056 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.61 CC1=CC=CC=C1C(C)N SY002511 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.61 CC1=CC=CC=C1C(F)F SY265643 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.61 CC1=NC=CC=C1C(C)N SY249588 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.61 CN(C)C1=CC=CC=C1Br SY024924 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.61 CN(C)C1=CC=CC=C1N SY032003 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.61 C[C@@H](O)C1=CC=CC=C1Br SY024770 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl SY024788 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.61 C[C@@H](O)C1=CC=CC=C1F SY040023 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY008657 [1,1,0,0,0,0|0,0,0]=2 440 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY224243 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SY024787 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.61 C[C@H](O)C1=NC=CC=C1Br SY289336 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.61 FC(F)C1=CC=CC=C1Br SY035109 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.61 FC(F)C1=CC=CC=C1Cl SY265649 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.61 FC(F)C1=CC=CC=C1I SY265917 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.61 N=C(N)C1=CC=CC=C1Br SY028769 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.61 N=C(N)C1=CC=CC=C1Cl SY003975 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.61 N=C(N)C1=CC=CC=C1F SY109705 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.61 NC(=O)C1=C(I)C=CC=C1 SY013782 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.61 NC(=O)C1=CC=CC=C1Br SY026521 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.61 NC(=O)C1=CC=CC=C1F SY023168 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.61 NC(=O)C1=CC=CC=C1N SY001144 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.61 NC1=CC=CC=C1C(F)F SY265647 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 SY225323 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 SY225324 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.113 CC(C)C1=CC(Br)=NC=C1 SY224430 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.113 CC(C)C1=CC=CC(Br)=N1 SY006302 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.113 CC(C)C1=CC=CC(N)=C1 SY005822 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.113 CC(C)C1=CC=CC(N)=N1 SY006009 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.113 CC(C)C1=NC(Cl)=NC=C1 SY023339 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.113 CC(N)C1=CC(Br)=NC=C1 SY248318 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY023019 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY037546 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 SY027082 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.113 CC(O)C1=CC=CC(Br)=C1 SY005048 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SY005051 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.113 CC(O)C1=CC=CC(O)=C1 SY005071 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.113 CC(O)C1=NC=CC(Br)=C1 SY037352 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.113 CC1=CC(C(F)F)=CC=C1 SY265638 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.113 CN(C)C1=CC(O)=CC=C1 SY003817 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.113 CN(C)C1=CC=CC(Br)=C1 SY101188 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.113 CN(C)C1=CC=CC(I)=C1 SY290789 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY010751 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY044787 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.113 CN(C)C1=NC=CC(Br)=C1 SY037279 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 SY008725 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 SY110609 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 SY239977 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SY107032 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029286 [1,1,0,0,0,0|0,0,0]=2 487 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029288 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 SY258403 [1,1,0,0,0,0|0,0,0]=2 489 B10R1.113 FC(F)C1=CC=CC(Br)=C1 SY103994 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 FC(F)C1=CC=CC(Cl)=C1 SY265663 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 FC(F)C1=CC=CC(I)=C1 SY124950 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 SY028768 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 SY285003 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 SY106891 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.113 NC(=O)C1=CC(F)=CC=C1 SY016219 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SY020170 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 SY030316 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.113 NC(=O)C1=CC=CC(I)=C1 SY041741 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SY012693 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 SY003195 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.1 C=CCC1=CC=C(O)C=C1 SY045829 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.1 CCOC1=CC=C(Br)C=C1 SY001830 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.1 CCOC1=CC=C(I)C=C1 SY018622 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.1 CCOC1=CC=C(O)C=C1 SY015677 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.1 CNCC1=CC=C(Br)C=C1 SY002627 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.1 CNCC1=CC=C(Br)C=C1 SY006057 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.1 CNCC1=CC=C(C)C=C1 SY004191 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.1 CNCC1=CC=C(C)C=C1 SY016090 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002430 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002434 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.1 CNCC1=CC=C(F)C=C1 SY002630 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.1 CNCC1=CC=C(N)C=C1 SY003698 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.1 CNCC1=CC=C(O)C=C1 SY018667 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.1 COCC1=CC=C(N)C=C1 SY003771 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.1 ClCOC1=CC=C(Br)C=C1 SY298491 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.1 ClCOC1=CC=C(I)C=C1 SY298419 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.1 N#CCC1=CC=C(I)C=C1 SY030019 [1,1,0,0,0,0|0,0,2]=4 525 B10R1.1 N#CCC1=CC=C(N)C=C1 SY015676 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [1,1,0,0,0,0|0,0,0]=2 528 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [1,1,0,0,0,0|0,0,0]=2 529 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [1,1,0,0,0,0|0,0,0]=2 530 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [1,1,0,0,0,0|0,0,0]=2 531 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [1,1,0,0,0,0|0,0,0]=2 533 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281642 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281643 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281648 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281649 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.1 O=CCC1=CC=C(Br)C=C1 SY110273 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.1 OCCC1=CC=C(Br)N=C1 SY253046 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.1 OCCC1=CC=C(Cl)N=C1 SY035951 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.1 OCCC1=CC=C(F)N=C1 SY262258 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.1 OCCC1=NC=C(Br)C=C1 SY234050 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.4 CC1=CC=CC=C1OCCl SY298330 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.4 CCOC1=C(Br)C=CC=C1 SY018463 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.4 ClCOC1=C(I)C=CC=C1 SY298441 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.4 ClCOC1=CC=CC=C1Br SY298326 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.4 ClCOC1=CC=CC=C1Cl SY298558 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,1,0,0,0,0|0,0,2]=4 568 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,1,0,0,0,0|0,0,2]=4 569 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,1,0,0,0,0|0,0,2]=4 570 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,1,0,0,0,0|0,0,0]=2 571 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,1,0,0,0,0|0,0,0]=2 572 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.4 NOCC1=NC=CC=C1F SY281659 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.4 NOCC1=NC=CC=C1F SY281660 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.10 CC1=CC=CC(CON)=N1 SY281644 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.10 CC1=CC=CC(CON)=N1 SY281645 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.10 CC1=NC(CCBr)=CC=C1 SY224318 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.10 CCNC1=CC=CC(Br)=C1 SY040310 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.10 CCOC1=CC(Br)=CC=C1 SY049073 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002048 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002435 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.10 CNCC1=CC=CC(Cl)=C1 SY104087 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.10 ClCOC1=CC(Br)=CC=C1 SY293036 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.10 ClCOC1=CC(Cl)=CC=C1 SY298324 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.10 FC1=CC=CC(OCCl)=C1 SY298336 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.10 NC1=CC=NC(CCO)=C1 SY026069 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [1,1,0,0,0,0|0,0,0]=2 617 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [1,1,0,0,0,0|0,0,0]=2 618 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281624 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281625 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.10 O=CCC1=CC=CC(Br)=C1 SY239726 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.10 OCCC1=CC=CC(Br)=N1 SY037350 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.10 OCCC1=NC=CC(Br)=C1 SY037353 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,1,0,0,0,0|0,0,1]=3 639 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,1,0,0,0,0|0,0,0]=2 647 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,1,0,0,0,0|0,0,2]=4 653 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,1,0,0,0,0|0,0,0]=2 654 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,1,0,0,0,0|0,0,0]=2 658 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,1,0,0,0,0|0,0,0]=2 659 B10R1.17 NCCOC1=CC=CN=C1 SY027634 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.17 NCCOC1=NC=CC=C1 SY020759 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [1,1,0,0,0,0|0,0,1]=3 662 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,1,0,0,0,0|0,0,0]=2 663 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,1,0,0,0,0|0,0,0]=2 664 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,1,0,0,0,0|0,0,0]=2 665 B10R1.17 OCC#CC1=CC=CC=C1 SY010793 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.18 N=C(N)NC1=CC=CC=C1 SY059286 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [1,1,0,0,0,0|0,0,1]=3 676 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.6 CC(C)(CO)C1=CC=CS1 SY233035 [0,1,0,0,1,0|2,0,0]=4 678 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SY005867 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,1,0,0,0,1|1,0,0]=3 682 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [0,1,0,0,0,1|1,0,1]=4 684 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [0,1,0,0,0,1|1,0,1]=4 685 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,1,0,0,0,1|1,0,1]=4 686 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,1,0,0,0,1|1,0,1]=4 687 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,1,0,0,0,1|1,0,1]=4 688 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY022058 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY107318 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 SY285307 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 SY285313 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,1,0,0,0,1|1,0,0]=3 693 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,1,0,0,0,1|0,0,2]=4 694 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,1,0,0,0,1|0,0,0]=2 695 B12R1.9 CC(C)(C#N)C1=CC=C(Br)C=C1 SY007396 [0,2,0,0,0,0|0,0,2]=4 696 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 SY008847 [0,2,0,0,0,0|0,0,2]=4 697 B12R1.9 CC(C)(C#N)C1=CC=C(O)C=C1 SY288507 [0,2,0,0,0,0|0,0,2]=4 698 B12R1.39 C#CCC(C)(O)C1=CC=CC=C1 SY047143 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.39 C#CCC(C)(O)C1=CC=CN=C1 SY045520 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.39 C#CCC(C)(O)C1=CC=NC=C1 SY047145 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.39 C#CCC(C)(O)C1=NC=CC=C1 SY045521 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 SY173698 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 SY177490 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.195 CC(C)(CO)C1=CC=CC=C1Cl SY035191 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.195 OCC(F)(F)C1=CC=CC=C1F SY032597 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 SY001281 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 SY039080 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SY131631 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.475 CC(CO)(CO)C1=NC=CC=C1 SY297829 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 SY001774 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 SY024052 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.13 CCN(CC)C1=CC=CC(N)=C1 SY028556 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.13 CCN(CC)C1=CC=CC(N)=C1 SY028557 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 SY036812 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 SY012964 [0,2,0,0,0,0|1,0,1]=4 716 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 SY013786 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SY021799 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 SY126741 [0,2,0,0,0,0|0,0,1]=3 719 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 SY009488 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 SY030594 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 SY232219 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SY008896 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 SY015933 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 SY015092 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 SY015503 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 SY015726 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.17 OCCC(O)C1=CC=CC(Cl)=C1 SY265044 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 SY254038 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.30 CNCCC(O)C1=CC=CC=C1 SY050893 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.5 CC(CN)C1=CC=C(C#N)C=C1 SY275840 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 SY278514 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 SY021366 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 SY229641 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.20 CC(C(N)=O)C1=CC=C(Br)C=C1 SY233699 [0,2,0,0,0,0|0,0,1]=3 743 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SY023256 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 SY232364 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.20 C[C@H](C(=O)O)C1=CC=C(O)C=C1 SY232323 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.367 N[C@H](CO)C1=CC=C(F)C(Cl)=C1 SY253691 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.1703 CC1=CC(Cl)=CC=C1C(N)CO SY263554 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.1703 CCC(O)C1=CC=C(F)C=C1Br SY298767 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.1703 NC(CO)C1=CC=C(Cl)C=C1Br SY263555 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.1703 O[C@H](CCl)C1=CC=C(Cl)C=C1Cl SY195790 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.225 CC(C(=O)O)C1=CC=CC(Br)=C1 SY043041 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.225 CC(C1=CC(O)=CC=C1)N(C)C SY102287 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.225 CC(N)C(=O)C1=CC=CC(Cl)=C1 SY227003 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C SY067144 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.354 NC(CO)C1=CC(Br)=CC=C1F SY271514 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.354 NCC(O)C1=CC(Br)=CC=C1F SY271516 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.354 N[C@@H](CO)C1=CC(Br)=CC=C1F SY271828 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.354 N[C@H](CO)C1=CC(Br)=CC=C1F SY271827 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.358 NC(CO)C1=CC(Cl)=CC(Cl)=C1 SY016371 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.564 CC(C1=CC=CC=C1)P(=O)(O)O SY284584 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F SY005422 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F SY007239 [0,2,0,0,0,0|2,0,0]=4 763 B10R2.6 C1=CC(C2CC2)=CC=N1 SY275036 [1,0,0,1,0,0|1,0,0]=3 764 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 SY033347 [1,0,0,1,0,0|1,0,0]=3 765 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 SY032955 [1,0,0,1,0,0|1,0,0]=3 766 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,1,0,0|1,0,1]=4 767 B10R2.7 C1=CC2=C(C=C1)CNC2 SY006502 [1,0,0,1,0,0|2,0,0]=4 768 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [1,0,0,1,0,0|0,0,0]=2 769 B10R2.7 C1=CC2=C(C=C1)NN=C2 SY001125 [1,0,0,1,0,0|1,0,1]=4 770 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [1,0,0,1,0,0|1,0,0]=3 771 B10R2.7 C1=CC2=C(N=C1)NCC2 SY005307 [1,0,0,1,0,0|1,0,0]=3 772 B10R2.7 C1=CC=C2CNCC2=C1 SY006104 [1,0,0,1,0,0|2,0,0]=4 773 B10R2.7 C1=CC=C2CSCC2=C1 SY143431 [1,0,0,1,0,0|2,0,0]=4 774 B10R2.7 C1=CC=C2NC=NC2=C1 SY012765 [1,0,0,1,0,0|1,0,1]=4 775 B10R2.7 C1=CN=C2CCCC2=C1 SY005163 [1,0,0,1,0,0|2,0,0]=4 776 B10R2.7 C1=CN=C2CCNC2=C1 SY253170 [1,0,0,1,0,0|1,0,0]=3 777 B10R2.7 C1=CN=C2CCOC2=C1 SY285018 [1,0,0,1,0,0|2,0,0]=4 778 B10R2.7 C1=NN=C2NCCC2=C1 SY294612 [1,0,0,1,0,0|2,0,0]=4 779 B10R2.136 C1=CN(C2CNC2)C=N1 SY045523 [0,0,0,1,1,0|2,0,0]=4 780 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,0,0,1,0,1|1,0,1]=4 781 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [0,0,0,1,0,1|1,0,0]=3 782 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [0,0,0,1,0,1|1,0,0]=3 783 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [0,0,0,1,0,1|1,0,0]=3 784 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [0,0,0,1,0,1|1,0,0]=3 785 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [0,0,0,1,0,1|1,0,0]=3 786 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [0,0,0,1,0,1|1,0,0]=3 787 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [0,0,0,1,0,1|2,0,0]=4 788 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [0,0,0,1,0,1|2,0,0]=4 789 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,0,0,1,0,1|1,0,0]=3 790 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [0,0,0,1,0,1|2,0,0]=4 791 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [0,0,0,1,0,1|2,0,0]=4 792 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [0,0,0,1,0,1|2,0,0]=4 793 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [0,0,0,1,0,1|1,0,1]=4 794 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SY018411 [0,0,0,1,0,1|1,0,1]=4 795 B12R2.24 O=C1CNC2=CC=CC=C2O1 SY292600 [0,0,0,1,0,1|1,0,1]=4 796 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,0,1|2,0,0]=4 797 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [0,0,0,1,0,1|2,0,0]=4 798 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SY026631 [0,0,0,1,0,1|0,0,2]=4 799 B12R2.32 NCC1=CC2=CC=CC=C2O1 SY026572 [0,0,0,1,0,1|0,0,2]=4 800 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY018489 [0,0,0,1,0,1|1,0,1]=4 801 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY025325 [0,0,0,1,0,1|1,0,1]=4 802 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY030589 [0,0,0,1,0,1|1,0,1]=4 803 B12R2.32 NCC1=NC2=CC=CC=C2O1 SY026571 [0,0,0,1,0,1|1,0,1]=4 804 B12R2.32 NCC1OC2=CC=CC=C2O1 SY026998 [0,0,0,1,0,1|1,0,0]=3 805 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,0,0,1,0,1|1,0,0]=3 806 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,0,0,1,0,1|1,0,0]=3 807 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 SY001025 [0,1,0,1,0,0|0,0,2]=4 808 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SY002172 [0,1,0,1,0,0|0,0,0]=2 809 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SY168890 [0,1,0,1,0,0|0,0,0]=2 810 B12R2.116 CC1(C2=NC=CC=C2)CNC1 SY291104 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY006040 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY007956 [0,1,0,1,0,0|1,0,0]=3 813 B12R2.116 OC1(C2=NC=CC=C2)CNC1 SY237894 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.2403 CC1(C)C=CC2=C1C=CC=C2 SY297315 [0,1,0,1,0,0|1,0,1]=4 815 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.2403 CC1(C)SCC2=CC=CC=C21 SY275438 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.2403 CC1(O)COC2=CC=CC=C21 SY308287 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.1 NCC1=CNC2=C1C=CC=C2 SY026632 [0,1,0,1,0,0|0,0,2]=4 819 B12R2.1 NCC1=COC2=CC=CC=C12 SY026635 [0,1,0,1,0,0|0,0,2]=4 820 B12R2.1 NCC1=CSC2=CC=CC=C12 SY027010 [0,1,0,1,0,0|0,0,2]=4 821 B12R2.1 NCC1=NNC2=C1C=CC=C2 SY006135 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.1 NCC1=NNC2=C1C=CC=C2 SY018527 [0,1,0,1,0,0|1,0,1]=4 823 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022297 [0,1,0,1,0,0|0,0,0]=2 824 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022653 [0,1,0,1,0,0|0,0,0]=2 825 B12R2.1 OCC1=CNC2=C1C=CC=C2 SY015976 [0,1,0,1,0,0|0,0,2]=4 826 B12R2.1 OCC1CCC2=C1C=CC=C2 SY030168 [0,1,0,1,0,0|1,0,0]=3 827 B12R2.2 C1=CC(C2CCCN2)=CC=N1 SY005586 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SY023454 [0,1,0,1,0,0|0,0,0]=2 830 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [0,1,0,1,0,0|1,0,0]=3 831 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 SY247998 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY023849 [0,1,0,1,0,0|0,0,0]=2 833 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY245835 [0,1,0,1,0,0|0,0,0]=2 834 B12R2.2 C1=CN=CC(C2CCCN2)=C1 SY023448 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.1081 CC1NCCC2=C1C=CC=C2 SY027949 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.1081 CN1CCNC2=C1C=CC=C2 SY022100 [0,1,0,1,0,0|1,0,0]=3 838 B12R2.1081 NC1CCCC2=C1C=CC=C2 SY004141 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.1081 NC1CCOC2=C1C=CC=C2 SY009356 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 SY045443 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 SY030240 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 SY239976 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SY001972 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 SY020601 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SY029732 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.1081 OC1CCOC2=C1C=CC=C2 SY027475 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.2028 CC1OB(O)C2=CC=CC=C21 SY274016 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 SY031995 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY030000 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY042927 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 SY047274 [0,1,0,1,0,0|0,0,0]=2 854 B12R2.79 NC1CC1C2=CC=C(F)C=C2 SY044993 [0,1,0,1,0,0|0,0,0]=2 855 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY045000 [0,1,0,1,0,0|0,0,0]=2 856 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY045001 [0,1,0,1,0,0|0,0,0]=2 857 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 SY059243 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 SY225602 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 SY023355 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 SY008169 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 SY044959 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 SY042921 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 SY185544 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.290 NC1(C2=CC=C(I)C=C2)CC1 SY044814 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.290 NC1(C2=CC=C(O)C=C2)CC1 SY246819 [0,1,0,1,0,0|2,0,0]=4 866 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 SY225558 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 SY031834 [0,1,0,1,0,0|1,0,1]=4 868 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 SY249642 [0,1,0,1,0,0|2,0,0]=4 869 B12R2.612 NC1COC2=CC(Cl)=CC=C21 SY277188 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.612 N[C@H]1COC2=CC(Cl)=CC=C21 SY245773 [0,1,0,1,0,0|2,0,0]=4 871 B12R2.612 O[C@@H]1CCC2=C1C=CC(Br)=C2 SY123884 [0,1,0,1,0,0|2,0,0]=4 872 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 SY258330 [0,1,0,1,0,0|2,0,0]=4 873 B12R2.2302 BrC1=CC=C(C2CCN2)C=C1 SY197341 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 SY019231 [0,1,0,1,0,0|0,0,0]=2 875 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 SY245483 [0,1,0,1,0,0|0,0,0]=2 876 B12R2.2302 BrC1=CC=C(N2CCC2)C=C1 SY294264 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.2302 CC1=CC=C(C2CNC2)C=C1 SY267182 [0,1,0,1,0,0|0,0,0]=2 878 B12R2.2302 CC1=CC=C(C2CNC2)C=C1 SY267183 [0,1,0,1,0,0|0,0,0]=2 879 B12R2.2302 CC1=CN=C(C2CNC2)C=C1 SY267595 [0,1,0,1,0,0|1,0,0]=3 880 B12R2.2302 CC1=CN=C(C2CNC2)C=C1 SY267596 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.2302 CC1=NC=C(C2CNC2)C=C1 SY267550 [0,1,0,1,0,0|1,0,0]=3 882 B12R2.2302 CC1=NC=C(C2CNC2)C=C1 SY267551 [0,1,0,1,0,0|1,0,0]=3 883 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY258053 [0,1,0,1,0,0|0,0,0]=2 884 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY267181 [0,1,0,1,0,0|0,0,0]=2 885 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 SY139771 [0,1,0,1,0,0|0,0,0]=2 886 B12R2.2302 FC1=CN=C(C2CNC2)C=C1 SY267601 [0,1,0,1,0,0|1,0,0]=3 887 B12R2.2302 FC1=CN=C(C2CNC2)C=C1 SY267602 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.2302 FC1=CN=C(C2CNC2)N=C1 SY253137 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.2302 IC1=CC=C(N2CCC2)C=C1 SY302245 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.80 N[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY122639 [0,1,0,1,0,0|0,0,0]=2 891 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SY062850 [0,1,0,1,0,0|0,0,2]=4 892 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 SY014182 [0,1,0,1,0,0|1,0,1]=4 893 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 SY115499 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.196 CN1CCC2=C1C=CC=C2N SY142604 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 SY023018 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 SY101807 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 SY046237 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 SY225881 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY234047 [0,1,0,1,0,0|0,0,0]=2 900 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY267493 [0,1,0,1,0,0|0,0,0]=2 901 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267221 [0,1,0,1,0,0|0,0,0]=2 902 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267222 [0,1,0,1,0,0|0,0,0]=2 903 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 SY267597 [0,1,0,1,0,0|1,0,0]=3 904 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 SY267598 [0,1,0,1,0,0|1,0,0]=3 905 B12R2.2313 CC1=CN=CC(C2CNC2)=C1 SY267569 [0,1,0,1,0,0|1,0,0]=3 906 B12R2.2313 CC1=CN=CC(C2CNC2)=C1 SY267570 [0,1,0,1,0,0|1,0,0]=3 907 B12R2.2313 CC1=NC(C2CNC2)=CC=C1 SY267599 [0,1,0,1,0,0|1,0,0]=3 908 B12R2.2313 CC1=NC(C2CNC2)=CC=C1 SY267600 [0,1,0,1,0,0|1,0,0]=3 909 B12R2.2313 CC1=NC=CC(C2CNC2)=C1 SY267593 [0,1,0,1,0,0|1,0,0]=3 910 B12R2.2313 CC1=NC=CC(C2CNC2)=C1 SY267594 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY139836 [0,1,0,1,0,0|0,0,0]=2 912 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY267172 [0,1,0,1,0,0|0,0,0]=2 913 B12R2.2313 FC1=CN=CC(C2CNC2)=C1 SY267556 [0,1,0,1,0,0|1,0,0]=3 914 B12R2.2313 FC1=CN=CC(C2CNC2)=C1 SY267557 [0,1,0,1,0,0|1,0,0]=3 915 B12R2.2313 NC1=CC=CC(N2CCC2)=C1 SY270546 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 SY002735 [0,1,0,1,0,0|1,0,0]=3 917 B12R2.92 FC1(F)CC1C2=CC=CC=C2 SY295850 [0,1,0,1,0,0|1,0,0]=3 918 B12R2.92 FC1(F)CC1C2=CC=CN=C2 SY295787 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [0,1,0,1,0,0|1,0,1]=4 920 B12R2.88 CC1=CC=CC=C1C2(N)CC2 SY211608 [0,1,0,1,0,0|2,0,0]=4 921 B12R2.88 CC1=CC=CC=C1C2(N)CC2 SY226682 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.88 NC1(C2=CC=CC=C2Br)CC1 SY144550 [0,1,0,1,0,0|2,0,0]=4 923 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 SY225675 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.88 NC1(C2=CC=CC=C2F)CC1 SY107201 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.88 NC1=CC=CC=C1C2(N)CC2 SY225651 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.203 CC1=CNC2=C1C(Br)=CC=C2 SY031146 [0,1,0,1,0,0|0,0,2]=4 927 B12R2.203 CC1=NNC2=C1C(Br)=CC=C2 SY029541 [0,1,0,1,0,0|1,0,1]=4 928 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 SY244736 [0,1,0,1,0,0|2,0,0]=4 929 B12R2.203 NC1CCC2=C1C(F)=CC=C2 SY265846 [0,1,0,1,0,0|2,0,0]=4 930 B12R2.203 NC1CCC2=C1C(O)=CC=C2 SY263192 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267567 [0,1,0,1,0,0|1,0,0]=3 932 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267568 [0,1,0,1,0,0|1,0,0]=3 933 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267184 [0,1,0,1,0,0|0,0,0]=2 934 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267185 [0,1,0,1,0,0|0,0,0]=2 935 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267603 [0,1,0,1,0,0|1,0,0]=3 936 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267604 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267558 [0,1,0,1,0,0|1,0,0]=3 938 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267559 [0,1,0,1,0,0|1,0,0]=3 939 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267201 [0,1,0,1,0,0|0,0,0]=2 940 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267202 [0,1,0,1,0,0|0,0,0]=2 941 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 SY272668 [0,0,0,2,0,0|2,0,0]=4 942 B8R1.7 CC(C)C1=CNC=N1 SY037472 [1,0,0,0,1,0|2,0,0]=4 943 B8R1.7 CC(C)C1=CNN=C1 SY278608 [1,0,0,0,1,0|2,0,0]=4 944 B8R1.7 CC(C)C1=NNC=C1 SY025107 [1,0,0,0,1,0|2,0,0]=4 945 B8R1.7 CC(C)N1C=CC=C1 SY300558 [1,0,0,0,1,0|1,0,0]=3 946 B8R1.7 CC(C)N1C=CC=N1 SY024130 [1,0,0,0,1,0|2,0,0]=4 947 B8R1.7 CC(C)N1C=CN=C1 SY015614 [1,0,0,0,1,0|2,0,0]=4 948 B8R1.7 CC(N)C1=NC=CS1 SY006409 [1,0,0,0,1,0|2,0,0]=4 949 B8R1.7 CC(N)C1=NC=CS1 SY020075 [1,0,0,0,1,0|2,0,0]=4 950 B8R1.7 C[C@@H](N)C1=CC=CS1 SY193850 [1,0,0,0,1,0|1,0,0]=3 951 B8R1.7 C[C@@H](N)C1=CNC=N1 SY307692 [1,0,0,0,1,0|2,0,0]=4 952 B8R1.7 C[C@H](N)C1=CNC=N1 SY307691 [1,0,0,0,1,0|2,0,0]=4 953 B8R1.8 NCCC1=CC=CN1 SY010719 [1,0,0,0,1,0|1,0,0]=3 954 B8R1.8 NCCC1=CC=CN1 SY011737 [1,0,0,0,1,0|1,0,0]=3 955 B8R1.8 NCCC1=CC=CO1 SY021981 [1,0,0,0,1,0|1,0,0]=3 956 B8R1.8 NCCC1=CC=CS1 SY004316 [1,0,0,0,1,0|1,0,0]=3 957 B8R1.8 NCCC1=CNC=N1 SY012860 [1,0,0,0,1,0|2,0,0]=4 958 B8R1.8 NCCC1=CNC=N1 SY041787 [1,0,0,0,1,0|2,0,0]=4 959 B8R1.8 NCCC1=CNN=C1 SY039272 [1,0,0,0,1,0|2,0,0]=4 960 B8R1.8 NCCC1=CSC=C1 SY034366 [1,0,0,0,1,0|1,0,0]=3 961 B8R1.8 NCCC1=NC=CN1 SY010697 [1,0,0,0,1,0|2,0,0]=4 962 B8R1.8 NCCC1=NC=CN1 SY059809 [1,0,0,0,1,0|2,0,0]=4 963 B8R1.8 NCCC1=NNC=C1 SY021017 [1,0,0,0,1,0|2,0,0]=4 964 B8R1.8 NCCC1=NNC=C1 SY040011 [1,0,0,0,1,0|2,0,0]=4 965 B8R1.8 NCCN1C=CC=N1 SY014106 [1,0,0,0,1,0|2,0,0]=4 966 B8R1.8 NCCN1C=CN=C1 SY014254 [1,0,0,0,1,0|2,0,0]=4 967 B8R1.8 NCCN1C=CN=C1 SY079565 [1,0,0,0,1,0|2,0,0]=4 968 B8R1.8 NCCN1C=CN=C1 SY110715 [1,0,0,0,1,0|2,0,0]=4 969 B8R1.8 NOCC1=CSC=C1 SY281788 [1,0,0,0,1,0|2,0,0]=4 970 B8R1.8 NOCC1=CSC=C1 SY281789 [1,0,0,0,1,0|2,0,0]=4 971 B8R1.8 OCCC1=CSC=C1 SY003714 [1,0,0,0,1,0|2,0,0]=4 972 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [0,0,0,0,0,2|1,0,0]=3 973 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [0,0,0,0,0,2|1,0,0]=3 974 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY021003 [0,0,0,0,0,2|1,0,1]=4 975 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY038933 [0,0,0,0,0,2|1,0,1]=4