0 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 OR51810 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 OR2606 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 OR30102 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 OR18571 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 OR28694 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.3 CC(C)C1=CC=C(CN)C=C1 OR51842 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.3 CC(C)C1=CC=C(CO)C=C1 OR28718 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.3 CC(C)C1=CC=C(NN)C=C1 OR9708 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.3 CCC1=CC=C(B(O)O)C=C1 OR10478 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 OR22097 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 OR21929 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 CCC1=CC=C([N+](=O)[O-])C=C1 OR54498 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.3 CN(C)C1=CC=C(C#N)C=N1 OR12084 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 OR43669 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.3 CN(C)C1=CC=C(C=O)C=N1 OR46111 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.3 CN(C)C1=CC=C(CBr)C=C1 OR400627 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 CN(C)C1=CC=C(CN)C=C1 OR7726 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.3 CN(C)C1=CC=C(CO)C=C1 OR0847 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.3 CN(C)C1=CC=C(CO)C=C1 OR20011 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 OR30877 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.3 COC1=CC=C(C(C)=O)C=C1 OR11063 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.3 COC1=CC=C(C(C)C)C=C1 OR6453 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.3 COC1=CC=C(C(C)O)C=C1 OR70187 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 OR40632 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 OR40631 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 OR3455 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.3 N#CC1=CC=C(C(Cl)Cl)C=C1 OR23830 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 OR922175 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.3 NCC1=CC=C(B(O)O)C=C1 OR10330 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.3 NCC1=CC=C(B(O)O)C=C1 OR6222 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 OR52448 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 OR24888 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 OR2365 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 OR28642 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 OR40572 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 OR5015 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 OR4799 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.3 OCC1=CC=C(B(O)O)C=C1 OR10501 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.3 OCC1=CC=C(B(O)O)C=N1 OR3791 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.3 BrCC1=CC=C(CBr)C=C1 OR0107 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.3 C#CC1=CC=C(CC)C=C1 OR2201 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.3 C#CC1=CC=C(OC)C=C1 OR21951 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.3 C=CC1=CC=C(CBr)C=C1 OR52289 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.3 C=CC1=CC=C(CCl)C=C1 OR51822 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.3 C=CC1=CC=C(OC)C=C1 OR42010 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 CCC1=CC=C(C=O)C=C1 OR2187 [1,0,0,0,0,0|0,0,2]=3 46 B10R1.3 CCC1=CC=C(CN)C=C1 OR52606 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.3 CCC1=CC=C(NN)C=C1 OR9704 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.3 CNC1=CC=C(C#N)C=C1 OR16971 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.3 COC1=CC=C(C#N)C=C1 OR23419 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.3 COC1=CC=C(C=O)C=C1 OR52390 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.3 COC1=CC=C(CBr)C=C1 OR16607 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.3 COC1=CC=C(CCl)C=C1 OR25768 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.3 COC1=CC=C(CN)C=C1 OR5028 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.3 COC1=CC=C(CO)C=C1 OR18325 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.3 COC1=CC=C(NN)C=C1 OR2845 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 COC1=CC=C(OC)C=C1 OR4908 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.3 COC1=CN=C(CN)C=C1 OR306425 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.3 COC1=NC=C(CN)C=C1 OR52039 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.3 CSC1=CC=C(C=O)C=C1 OR0776 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.3 CSC1=CC=C(NN)C=C1 OR7922 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.3 ClCC1=CC=C(CCl)C=C1 OR9311 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.3 N#CC1=CC=C(CBr)C=C1 OR5037 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 N#CC1=CC=C(CN)C=C1 OR20018 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.3 N#CC1=CC=C(CN)C=C1 OR8902 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.3 N#CC1=NC=C(CO)C=C1 OR300195 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.3 NCC1=CC=C(CCl)C=C1 OR6191 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.3 NCC1=CC=C(CN)C=C1 OR921104 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.3 NCC1=CC=C(CO)C=C1 OR6193 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.3 NNC1=CC=C(CO)C=C1 OR3389 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 O=CC1=CC=C(CBr)C=C1 OR9193 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.3 O=CC1=CC=C(CCl)C=C1 OR322751 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.3 O=CC1=CC=C(CO)C=C1 OR18563 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.3 OCC1=CC=C(CBr)C=C1 OR52377 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.3 OCC1=CC=C(CO)C=C1 OR350022 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 OR01684 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(=O)C1=CC=C(C)C=C1 OR28580 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.13 CC(=O)C1=CC=C(C)N=C1 OR345083 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 OR350076 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(=O)C1=CC=C(I)C=C1 OR7749 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 CC(=O)C1=CC=C(N)C=C1 OR28747 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 CC(=O)C1=CC=C(O)C=C1 OR11052 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 OR321021 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 CC(C)C1=CC=C(I)C=C1 OR11205 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.13 CC(C)C1=CC=C(N)C=C1 OR4957 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.13 CC(C)C1=CC=C(O)C=C1 OR18281 [1,0,0,0,0,0|0,0,0]=1 86 B10R1.13 CC(C)C1=CC=C(S)C=C1 OR0781 [1,0,0,0,0,0|0,1,0]=2 87 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 OR17821 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 CC(N)C1=CC=C(N)C=C1 OR01680 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 CC(O)C1=CC=C(Br)C=C1 OR17616 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 CC1=CC=C(B(O)O)C=C1 OR6888 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 CC1=CC=C(C(=N)N)C=C1 OR29962 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 CC1=CC=C(C(=O)O)C=C1 OR6229 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 CC1=CC=C(C(N)=O)C=C1 OR25450 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.13 CC1=CC=C(C(N)=S)C=C1 OR29206 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 OR0042 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 OR30790 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 CC1=CC=C(S(C)=O)C=C1 OR25242 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 OR2973 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 OR322426 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CN(C)C1=CC=C(Br)C=C1 OR11136 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 OR17922 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 CN(C)C1=CC=C(N)C=C1 OR14326 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CN(C)C1=CC=C(N)C=C1 OR5247 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 CN(C)C1=CC=C(N)C=C1 OR5307 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 CN(C)C1=NC=C(Br)C=C1 OR7730 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 OR3341 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 CS(=O)C1=CC=C(O)C=C1 OR3525 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 OR48265 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 OR322311 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 OR48261 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 N=C(N)C1=CC=C(O)C=C1 OR7609 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 OR322090 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 OB(O)C1=CC=C(O)C=C1 OR10505 [1,0,0,0,0,0|3,0,0]=4 114 B12R1.5 CCC1=CC=C(C(=O)OC)C=C1 OR7700 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 OR30799 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 OR29204 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 OR59468 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 OR6787 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 OR110419 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.5 COC1=CC=C(C(O)CN)C=C1 OR12810 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.6 C#CC1=CC=C(C(C)(C)C)C=C1 OR5953 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 OR30168 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 OR4973 [0,1,0,0,0,0|0,0,2]=3 124 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 OR15934 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 OR5036 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 OR9087 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.6 CC(C)(C)C1=CC=C(CO)C=C1 OR3280 [0,1,0,0,0,0|0,0,0]=1 128 B12R1.6 CC(C)(C)C1=CC=C(CS)C=C1 OR30178 [0,1,0,0,0,0|0,1,0]=2 129 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 OR10685 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 OR2202 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 OR2602 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 OR46201 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 OR6633 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.48 CN(C)C1=CC(Cl)=C(C=O)C=C1 OR2435 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 OR6690 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.48 NC1=C(CO)C=CC([N+](=O)[O-])=C1 OR1499 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.48 O=[N+]([O-])C1=CC(Br)=C(CO)C=C1 OR61351 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.48 O=[N+]([O-])C1=CC(O)=C(CO)C=C1 OR17916 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 OR1514 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 OR24070 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 OR0411 [0,1,0,0,0,0|1,1,1]=4 142 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 OR6189 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.113 COCC1=CC=C(B(O)O)C=C1 OR7233 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 OR1836 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 OR10313 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 OR345603 [0,1,0,0,0,0|1,0,2]=4 147 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 OR2867 [0,1,0,0,0,0|0,0,2]=3 148 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 OR10524 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.256 CC(C)C1=CC=C([N+](=O)[O-])C=C1 OR30295 [0,1,0,0,0,0|1,0,1]=3 150 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 OR7205 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.256 CN(C)C1=CC=C(B(O)O)C=N1 OR15597 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.256 CN(C)C1=CC=C(B(O)O)C=N1 OR2617 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.256 CN(C)C1=CC=C(C(=O)Cl)C=C1 OR11167 [0,1,0,0,0,0|1,0,2]=4 154 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 OR4919 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.256 CN(C)C1=CC=C(N(C)C)C=C1 OR11243 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.256 CN(C)C1=NC=C(B(O)O)C=C1 OR2767 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.256 CS(=O)C1=CC=C(B(O)O)C=C1 OR10559 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 OR304106 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.452 O=C(O)C1=C(Br)C=C(CO)C=C1 OR400421 [0,1,0,0,0,0|2,0,1]=4 160 B12R2.9 C=CC1=CC=C(C2CC2)C=C1 OR19574 [0,0,0,1,0,0|1,0,1]=3 161 B12R2.9 COC1=CC=C(C2CC2)C=C1 OR307193 [0,0,0,1,0,0|2,0,0]=3 162 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 OR307253 [0,0,0,1,0,0|0,0,2]=3 163 B10R1.31 CC(C)C1=NC(CCl)=CO1 OR15581 [0,0,0,0,1,0|3,0,0]=4 164 B10R1.31 CC(C)C1=NC(CCl)=CS1 OR15567 [0,0,0,0,1,0|3,0,0]=4 165 B10R1.31 CC(C)C1=NC(CN)=CO1 OR15580 [0,0,0,0,1,0|3,0,0]=4 166 B10R1.31 CC(C)C1=NC(CN)=CS1 OR15554 [0,0,0,0,1,0|3,0,0]=4 167 B12R1.4 CC(=O)NC1=CC=C(CCl)C=C1 OR0010 [0,0,0,0,0,1|2,0,1]=4 168 B12R1.4 CC(=O)NC1=CC=C(CO)C=C1 OR1111 [0,0,0,0,0,1|1,0,1]=3 169 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 OR400140 [0,0,0,0,0,1|2,0,1]=4 170 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 OR51991 [0,0,0,0,0,1|1,0,1]=3 171 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 OR55478 [0,0,0,0,0,1|1,0,1]=3 172 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 OR1247 [0,0,0,0,0,1|0,0,2]=3 173 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 OR7788 [0,0,0,0,0,1|1,0,0]=2 174 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 OR5112 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.1 BrCC1=CC=C(Br)C=C1 OR13169 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 BrCC1=CC=C(I)C=C1 OR8750 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 C#CC1=CC=C(C)C=C1 OR0642 [2,0,0,0,0,0|0,0,2]=4 178 B9R1.1 C#CC1=CC=C(O)C=C1 OR55626 [2,0,0,0,0,0|0,0,2]=4 179 B9R1.1 CC1=CC=C(C#N)C=C1 OR1709 [2,0,0,0,0,0|1,0,1]=4 180 B9R1.1 CC1=CC=C(C=O)C=C1 OR61250 [2,0,0,0,0,0|0,0,2]=4 181 B9R1.1 CC1=CC=C(CBr)C=C1 OR40462 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.1 CC1=CC=C(CCl)C=C1 OR18311 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.1 CC1=CC=C(CCl)N=C1 OR310896 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CC1=CC=C(CN)C=C1 OR10024 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.1 CC1=CC=C(CO)C=N1 OR14843 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.1 CC1=CC=C(CS)C=C1 OR30170 [2,0,0,0,0,0|0,1,0]=3 187 B9R1.1 CC1=CC=C(NN)C=C1 OR7543 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 CC1=CN=C(CN)C=C1 OR306469 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 CC1=NC=C(CO)C=N1 OR17837 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 CCC1=CC=C(Br)C=C1 OR13057 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.1 CCC1=CC=C(I)C=C1 OR4537 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.1 CCC1=CC=C(S)C=C1 OR11377 [2,0,0,0,0,0|0,1,0]=3 193 B9R1.1 CCC1=CN=C(C)C=C1 OR3152 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.1 COC1=CC=C(Br)C=C1 OR4283 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 COC1=CC=C(Cl)C=C1 OR4349 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 COC1=CC=C(I)C=C1 OR4677 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 COC1=CC=C(O)C=C1 OR10915 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.1 COC1=CC=C(S)C=C1 OR0774 [2,0,0,0,0,0|1,1,0]=4 199 B9R1.1 COC1=NC=C(O)C=C1 OR3808 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 CSC1=CC=C(Br)C=C1 OR10389 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 CSC1=CC=C(Cl)C=C1 OR3459 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 CSC1=CC=C(N)C=C1 OR0773 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.1 CSC1=CC=C(O)C=C1 OR0778 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.1 CSC1=CC=C(S)C=C1 OR11379 [2,0,0,0,0,0|1,1,0]=4 205 B9R1.1 ClC1=CC=C(CBr)C=C1 OR8476 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 ClCC1=CC=C(Br)C=C1 OR9776 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 ClCC1=CC=C(Cl)C=C1 OR3764 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 N#CC1=CC=C(O)C=C1 OR10907 [2,0,0,0,0,0|1,0,1]=4 209 B9R1.1 NC1=CC=C(CO)C=C1 OR9011 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.1 NC1=CC=C(CO)C=N1 OR14503 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 NCC1=CC=C(Br)C=C1 OR49010 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 NCC1=CC=C(Br)C=C1 OR8654 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.1 NCC1=CC=C(Cl)C=C1 OR10085 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 NCC1=CC=C(I)C=C1 OR6197 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 NCC1=CC=C(I)C=C1 OR9371 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 NCC1=CC=C(N)C=C1 OR12000 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 NCC1=CC=C(O)C=C1 OR0853 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.1 NCC1=CC=C(O)C=C1 OR7611 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.1 NCC1=NC=C(O)C=C1 OR51778 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 O=CC1=CC=C(O)C=C1 OR13187 [2,0,0,0,0,0|1,0,1]=4 221 B9R1.1 OCC1=CC=C(Br)C=C1 OR5021 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.1 OCC1=CC=C(Cl)C=C1 OR5022 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.1 OCC1=CC=C(I)C=C1 OR60044 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.1 OCC1=CC=C(O)C=C1 OR1172 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.1 OCC1=CN=C(Cl)C=C1 OR11307 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 OCC1=NC=C(Br)C=C1 OR13061 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 OCC1=NC=C(Cl)C=C1 OR16865 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.1 SCC1=CC=C(Br)C=C1 OR51963 [2,0,0,0,0,0|1,1,0]=4 229 B9R1.6 CC(Br)C1=CC=CC=C1 OR315258 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.6 CC(Br)C1=CC=CN=C1 OR46058 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.6 CC(Cl)C1=CC=CC=C1 OR9525 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.6 CC(N)C1=CC=NC=C1 OR01563 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.6 CC(N)C1=CN=CC=C1 OR01562 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.6 CC(N)C1=NC=CC=C1 OR01560 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.6 CC(O)C1=CC=CC=N1 OR01623 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.6 CC(O)C1=CC=CN=C1 OR01622 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.6 CC(O)C1=CC=NC=C1 OR01620 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.6 CN(C)C1=CC=CC=C1 OR61405 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.6 CN(C)C1=CC=NC=C1 OR28827 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.6 CN(C)C1=NC=CC=C1 OR13607 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.6 CN(N)C1=CC=CC=C1 OR55581 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.6 CS(=O)C1=CC=CC=C1 OR30635 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.6 C[C@@H](N)C1=CC=CC=C1 OR5862 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.6 C[C@@H](N)C1=NC=CC=C1 OR70108 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.6 C[C@@H](O)C1=CC=CC=C1 OR315316 [2,0,0,0,0,0|1,0,0]=3 246 B9R1.6 C[C@H](N)C1=CC=CC=C1 OR28829 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.6 C[C@H](N)C1=NC=CC=C1 OR46602 [2,0,0,0,0,0|2,0,0]=4 248 B11R1.83 C#CC1=CC=C(CCC)C=C1 OR21957 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.83 C#CC1=CC=C(OCC)C=C1 OR21950 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.83 CCC1=CC=C(CCBr)N=C1 OR70230 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.83 CCC1=CC=C(CCCl)N=C1 OR70229 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.83 CCC1=CN=C(CCO)C=C1 OR9038 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.83 CCCC1=CC=C(NN)C=C1 OR0204 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.83 CCOC1=CC=C(C=O)C=C1 OR4980 [1,1,0,0,0,0|0,0,2]=4 255 B11R1.83 CCOC1=CC=C(CBr)C=C1 OR46549 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.83 CCOC1=CC=C(CO)C=C1 OR46213 [1,1,0,0,0,0|0,0,0]=2 257 B11R1.83 CNCC1=CC=C(OC)C=C1 OR13981 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.83 CNCC1=CC=C(OC)C=C1 OR1574 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.83 COC1=CC=C(CC#N)C=C1 OR10900 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.83 COC1=CC=C(CCO)C=C1 OR30550 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.83 COC1=CC=C(CNN)C=C1 OR55375 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.83 COC1=CC=C(CNN)C=C1 OR55590 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.83 COC1=CC=C(CON)C=C1 OR52352 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.83 N#CC1=CC=C(CCBr)C=C1 OR45144 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.83 N#CC1=CC=C(CCO)C=C1 OR30086 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 OR1501 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 OR52670 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.279 COC1=C(Cl)C=C(CO)C=N1 OR43616 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.279 COC1=C(I)C=C(CO)C=C1 OR401028 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.279 COC1=C(O)C=C(CN)C=C1 OR13028 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 OR55545 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.279 COC1=CC=C(CO)C(Br)=C1 OR471018 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.279 COC1=CC=C(CO)N=C1Br OR303764 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 OR18318 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 OR9457 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 OR7218 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 OR4958 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 OR10686 [1,1,0,0,0,0|0,1,0]=3 279 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 OR6114 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.19 CC(C)(O)C1=CC=C(Br)C=N1 OR302203 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 OR2820 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 OR1358 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 OR0562 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 OR0526 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 OR14369 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 OR110942 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 OR4598 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.22 CC(C#N)C1=CC=C(N)C=C1 OR14806 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 OR017854 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 OR2865 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.22 COC(=O)C1=CC=C(C)C=C1 OR52042 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 OR15300 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 OR9825 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 OR11266 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 OR28654 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 OR8804 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 OR1119 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 OR70132 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl OR01762 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 OR28929 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.166 CC1=CC(C)=NC=C1[C@H](C)N OR52305 [1,1,0,0,0,0|2,0,0]=4 302 B13R1.4 CC(C)(C)SC1=CC=C(C=O)C=C1 OR15248 [0,1,0,0,0,1|0,0,2]=4 303 B13R1.5 COC(=O)CC1=CC=C(CO)C=C1 OR55070 [0,1,0,0,0,1|1,0,1]=4 304 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 OR12731 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.36 CSC1=CC=C(C(=O)C(C)C)C=C1 OR4659 [0,1,0,0,0,1|2,0,0]=4 306 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 OR22079 [0,1,0,0,0,1|0,0,2]=4 307 B13R1.585 CC(C)CC1=CC=C(B(O)O)C=C1 OR10519 [0,1,0,0,0,1|1,0,0]=3 308 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 OR14157 [0,1,0,0,0,1|1,0,0]=3 309 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=N1 OR360279 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 OR9606 [0,1,0,0,0,1|0,0,1]=3 311 B13R1.585 CC(C)SC1=CC=C(B(O)O)C=C1 OR10525 [0,1,0,0,0,1|1,0,0]=3 312 B13R1.139 COC(=O)C1=CC=C(CCO)C=C1 OR42262 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 OR3941 [0,2,0,0,0,0|1,0,0]=3 314 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 OR3530 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.537 CN(C)C1=CC=C(C(=O)CCl)C=C1 OR5952 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.537 CN(C)C1=CC=C(C(=O)CN)C=C1 OR3463 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.537 COC(=O)C1=CC=C(C(C)O)C=C1 OR24665 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 OR52064 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.3088 COC(=O)C1=CC(O)=C(CO)C=C1 OR6978 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.38 CC(C)(C)C1=CC=C(C=O)C(O)=C1 OR4661 [0,2,0,0,0,0|0,0,2]=4 321 B13R1.38 COC1=C(N)C=C(C(C)(C)C)C=C1 OR7539 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 OR6530 [0,2,0,0,0,0|1,0,0]=3 323 B13R1.140 CC(C)(C)C1=CC=C(N=C=O)C=C1 OR8491 [0,2,0,0,0,0|0,0,2]=4 324 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 OR30261 [0,2,0,0,0,0|0,1,1]=4 325 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 OR21926 [0,2,0,0,0,0|0,0,2]=4 326 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 OR10399 [0,2,0,0,0,0|1,0,0]=3 327 B13R1.338 CC(C)(C)C1=CC=C(C(N)=O)C=C1 OR21726 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 OR27081 [0,2,0,0,0,0|0,1,1]=4 329 B13R1.338 CC(C)(O)C1=CC=C(B(O)O)C=C1 OR350200 [0,2,0,0,0,0|1,0,0]=3 330 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 OR9000 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.338 CN(C)C1=CC=C(C(C)(C)C)C=C1 OR015893 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.338 C[C@@H](N)C1=CC=C(C(C)(C)C)C=C1 OR15931 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 OR15932 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.120 CC(C)C1=CC=C(B(O)O)C(Cl)=N1 OR9498 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.120 CC1=C(N(C)C)C=CC(B(O)O)=C1 OR2764 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.74 CCCCC1=CC=C(N(C)C)C=C1 OR4279 [0,2,0,0,0,0|2,0,0]=4 337 B11R2.34 BrC1=CC=C(C2CC2)C=C1 OR8621 [1,0,0,1,0,0|1,0,0]=3 338 B11R2.34 OC1=CC=C(C2CC2)C=C1 OR70008 [1,0,0,1,0,0|0,0,0]=2 339 B11R2.21 OCC1=CN=C(C2CC2)S1 OR40533 [0,0,0,1,1,0|2,0,0]=4 340 B11R2.21 OCC1=CSC(C2CC2)=N1 OR40523 [0,0,0,1,1,0|2,0,0]=4 341 B13R2.2121 CN1C=C2C=C(CO)C=CC2=N1 OR30866 [0,0,0,1,0,1|1,0,1]=4 342 B13R2.2121 CN1C=C2C=CC(CO)=CC2=N1 OR30867 [0,0,0,1,0,1|2,0,0]=4 343 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 OR40759 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.2130 CN1N=CC2=CC(CO)=CC=C21 OR30862 [0,1,0,1,0,0|1,0,1]=4 345 B13R2.2130 CN1N=NC2=C1C=CC(CO)=C2 OR23373 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.2130 O=C1NCC2=C1C=CC(CO)=C2 OR305277 [0,1,0,1,0,0|1,0,1]=4 347 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 OR4952 [0,1,0,1,0,0|1,0,1]=4 348 B13R2.430 CC(C)C1=CC2=C(C=C1)NC=C2 OR305542 [0,1,0,1,0,0|1,0,1]=4 349 B13R2.428 OB(O)C1=CC=C(C2CC2)C=C1 OR307250 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.21 OCC1=CC=C(CO)O1 OR46504 [1,0,0,0,1,0|2,0,0]=4 351 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 OR3962 [1,0,0,0,0,1|1,0,1]=4 352 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 OR3204 [1,0,0,0,0,1|1,0,0]=3 353 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 OR3370 [1,0,0,0,0,1|2,0,0]=4 354 B11R1.20 CN(C)CC1=CC=C(I)C=C1 OR3860 [1,0,0,0,0,1|2,0,0]=4 355 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 OR19548 [0,0,0,0,1,1|0,0,2]=4 356 B11R1.266 CN(C)C1=CC=CC(CN)=C1 OR7678 [0,0,0,0,1,1|2,0,0]=4 357 B11R1.266 CN(C)C1=CC=CC(CO)=C1 OR2300 [0,0,0,0,1,1|1,0,0]=3