0 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.4 CCOC1=NC=CN=C1Br B43051 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,0,0,0,0,0|2,1,0]=3 14 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,0,0,0,0,0|3,1,0]=4 15 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [0,0,0,0,0,0|0,0,2]=2 17 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.4 N#CCC1=C(Br)C=NC=C1 B44760 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [0,0,0,0,0,0|0,1,2]=3 20 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [0,0,0,0,0,0|0,1,2]=3 21 B10R1.4 N#CCC1=C(F)C=CC=N1 F44800 [0,0,0,0,0,0|1,1,2]=4 22 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [0,0,0,0,0,0|0,1,2]=3 23 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.4 N#CCC1=CC=CN=C1Cl C0579 [0,0,0,0,0,0|1,1,2]=4 26 B10R1.4 N#CCC1=NC=CC=C1N A37153 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,0,0,0,0,0|0,0,0]=0 29 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,0,0,0,0,0|0,1,0]=1 31 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [0,0,0,0,0,0|1,1,0]=2 36 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [0,0,0,0,0,0|1,1,0]=2 37 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [0,0,0,0,0,0|1,1,0]=2 38 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,0,0,0,0,0|1,1,0]=2 40 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,0,0,0,0,0|1,1,0]=2 41 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,0,0,0,0,0|1,1,0]=2 42 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 NNCC1=CC=CN=N1 H13970 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 NNCC1=CN=CN=C1 H0219 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 NNCC1=CN=NC=C1 H12257 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 NNCC1=NC=CC=N1 H7463 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [1,0,0,0,0,0|1,1,0]=3 84 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [1,0,0,0,0,0|0,0,2]=3 85 B9R1.15 C#CC1=C(Cl)C=CC=C1 C38576 [1,0,0,0,0,0|0,1,2]=4 86 B9R1.15 C#CC1=C(F)C=CC=C1 E47539 [1,0,0,0,0,0|0,1,2]=4 87 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [1,0,0,0,0,0|1,0,2]=4 88 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [1,0,0,0,0,0|0,0,2]=3 90 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [1,0,0,0,0,0|0,1,2]=4 91 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 CC1=CC=CN=C1CN M46460 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.15 CC1=CC=CN=C1CO H46388 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 CC1=CN=NC=C1CN A14785 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 CC1=NC=CN=C1CN A11549 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,0,0,0,0,0|0,0,0]=1 112 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.15 CCC1=CC=NNC1=O E43195 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,0,0,0,0,0|2,1,0]=4 122 B9R1.15 CCC1=NC=CN=C1C E43603 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,0,0,0,0,0|2,1,0]=4 124 B9R1.15 CCC1=NC=CN=C1N E43328 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.15 CCC1=NC=CNC1=O E43188 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [1,0,0,0,0,0|1,0,0]=2 127 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [1,0,0,0,0,0|1,1,0]=3 131 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,0,0,0,0,0|2,1,0]=4 132 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [1,0,0,0,0,0|1,1,0]=3 133 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.15 CNC1=CC=CN=C1N M62813 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.15 CNC1=NC=CC=C1N M43341 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.15 COC1=C(Br)C=NC=N1 B40915 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,0,0,0,0,0|2,1,0]=4 146 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [1,0,0,0,0,0|2,1,0]=4 147 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,0,0,0,0,0|2,1,0]=4 148 B9R1.15 COC1=C(I)C=CC=C1 K68160 [1,0,0,0,0,0|1,1,0]=3 149 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,0,0,0,0,0|2,1,0]=4 150 B9R1.15 COC1=C(I)C=NC=C1 K42934 [1,0,0,0,0,0|2,1,0]=4 151 B9R1.15 COC1=C(N)C=NC=C1 A43191 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.15 COC1=CC=CN=C1Br B4536 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,0,0,0,0,0|2,1,0]=4 156 B9R1.15 COC1=CC=CN=C1F F42924 [1,0,0,0,0,0|2,1,0]=4 157 B9R1.15 COC1=CC=CN=C1I K62151 [1,0,0,0,0,0|2,1,0]=4 158 B9R1.15 COC1=NC=CC=C1C M46378 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.15 COC1=NC=CC=C1N A12743 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.15 COC1=NC=CN=C1Br B40912 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,0,0,0,0,0|2,1,0]=4 162 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,0,0,0,0,0|2,1,0]=4 165 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,0,0,0,0,0|2,1,0]=4 166 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,0,0,0,0,0|2,1,0]=4 167 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [1,0,0,0,0,0|1,1,0]=3 168 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,0,0,0,0,0|2,1,0]=4 169 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,0,0,0,0,0|2,1,0]=4 170 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,0,0,0,0,0|2,1,0]=4 171 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [1,0,0,0,0,0|0,0,2]=3 172 B9R1.15 N#CC1=C(Br)C=CC=N1 B14099 [1,0,0,0,0,0|1,0,2]=4 173 B9R1.15 N#CC1=C(Br)C=NC=C1 B19387 [1,0,0,0,0,0|1,0,2]=4 174 B9R1.15 N#CC1=C(F)C=CC=C1 F68598 [1,0,0,0,0,0|0,1,2]=4 175 B9R1.15 N#CC1=C(I)C=CC=C1 K44441 [1,0,0,0,0,0|0,1,2]=4 176 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [1,0,0,0,0,0|1,0,2]=4 177 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [1,0,0,0,0,0|1,0,2]=4 178 B9R1.15 N#CC1=CC=CN=C1Br B37950 [1,0,0,0,0,0|1,0,2]=4 179 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 NC1=CC=CN=C1CO A24069 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [1,0,0,0,0,0|0,0,0]=1 184 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [1,0,0,0,0,0|1,0,0]=2 186 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [1,0,0,0,0,0|0,1,0]=2 187 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [1,0,0,0,0,0|0,1,0]=2 188 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,0,0,0,0,0|1,1,0]=3 189 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,0,0,0,0,0|1,1,0]=3 190 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [1,0,0,0,0,0|0,1,0]=2 191 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,0,0,0,0,0|1,1,0]=3 192 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,0,0,0,0,0|1,1,0]=3 193 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,0,0,0,0,0|1,1,0]=3 194 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [1,0,0,0,0,0|1,1,0]=3 195 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [1,0,0,0,0,0|0,1,0]=2 196 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,0,0,0,0,0|1,1,0]=3 201 B9R1.15 NCC1=CC=CN=C1F F43528 [1,0,0,0,0,0|1,1,0]=3 202 B9R1.15 NCC1=CC=NNC1=O A14522 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,0,0,0,0,0|2,1,0]=4 204 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,0,0,0,0,0|2,1,0]=4 205 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [1,0,0,0,0,0|1,0,0]=2 206 B9R1.15 NNC1=C(Br)C=NC=C1 B61571 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [1,0,0,0,0,0|1,1,0]=3 208 B9R1.15 NNC1=C(Cl)C=CC=N1 C5118 [1,0,0,0,0,0|2,1,0]=4 209 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [1,0,0,0,0,0|1,1,0]=3 210 B9R1.15 NNC1=C(F)C=CC=N1 F41082 [1,0,0,0,0,0|2,1,0]=4 211 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [1,0,0,0,0,0|1,1,0]=3 212 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [1,0,0,0,0,0|1,1,1]=4 216 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [1,0,0,0,0,0|1,1,1]=4 217 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [1,0,0,0,0,0|1,1,1]=4 218 B9R1.15 O=CC1=CC=CN=C1Br B67403 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [1,0,0,0,0,0|1,0,0]=2 220 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [1,0,0,0,0,0|1,1,0]=3 223 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,0,0,0,0,0|2,1,0]=4 224 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [1,0,0,0,0,0|2,1,0]=4 225 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [1,0,0,0,0,0|2,1,0]=4 226 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [1,0,0,0,0,0|1,1,0]=3 227 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,0,0,0,0,0|2,1,0]=4 228 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [1,0,0,0,0,0|2,1,0]=4 229 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [1,0,0,0,0,0|2,1,0]=4 230 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [1,0,0,0,0,0|1,1,0]=3 231 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,0,0,0,0,0|2,1,0]=4 234 B9R1.15 OCC1=CC=CN=C1F F42930 [1,0,0,0,0,0|2,1,0]=4 235 B11R1.13 CC1=C(F)C=CC=C1CC#N F51462 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.13 N#CCC1=CC=CC(Br)=C1F B47670 [0,1,0,0,0,0|0,1,2]=4 237 B11R1.13 N#CCC1=CC=CC(Cl)=C1Cl D47689 [0,1,0,0,0,0|0,1,2]=4 238 B11R1.13 N#CCC1=CC=CC(Cl)=C1F C47693 [0,1,0,0,0,0|0,1,2]=4 239 B11R1.13 N#CCC1=CC=CC(F)=C1F D47707 [0,1,0,0,0,0|0,1,2]=4 240 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl D49145 [0,1,0,0,0,0|1,1,0]=3 241 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 A9130 [0,1,0,0,0,0|1,1,1]=4 248 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.41 COC1=C(CC#N)C=CC=C1 M62292 [0,1,0,0,0,0|1,0,2]=4 250 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.41 N#CC1=C(CCBr)C=CC=C1 B51450 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.41 N#CCC1=C(C#N)C=CC=C1 C50793 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.41 N#CCC1=C(C=O)C=CC=C1 F37431 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.41 N#CCC1=C(CBr)C=CC=C1 B51453 [0,1,0,0,0,0|0,0,2]=3 258 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 F51461 [0,1,0,0,0,0|0,1,2]=4 260 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C38144 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.81 CCOC1=C(N)C=C(N)C=C1 E46634 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D1582 [0,1,0,0,0,0|2,1,0]=4 266 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D29989 [0,1,0,0,0,0|2,1,0]=4 267 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [0,1,0,0,0,0|2,1,0]=4 268 B11R1.81 COCC1=C(F)C=C(N)C=C1 F46814 [0,1,0,0,0,0|2,1,0]=4 269 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 B47665 [0,1,0,0,0,0|0,0,2]=3 271 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 B47683 [0,1,0,0,0,0|0,0,2]=3 272 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 C47696 [0,1,0,0,0,0|0,1,2]=4 273 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 B47686 [0,1,0,0,0,0|0,1,2]=4 274 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 C60777 [0,1,0,0,0,0|0,1,2]=4 275 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 D47708 [0,1,0,0,0,0|0,1,2]=4 276 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [0,1,0,0,0,0|0,1,0]=2 277 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D12478 [0,1,0,0,0,0|1,1,0]=3 278 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D26039 [0,1,0,0,0,0|1,1,0]=3 279 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C12475 [0,1,0,0,0,0|1,1,0]=3 280 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C31594 [0,1,0,0,0,0|1,1,0]=3 281 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 D45883 [0,1,0,0,0,0|1,1,0]=3 282 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [0,1,0,0,0,0|1,1,0]=3 283 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,0,0|1,1,1]=4 285 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,0,0|1,1,1]=4 286 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 B45140 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.86 FC(F)OC1=C(Br)C=CC=N1 B32353 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.86 FC(F)OC1=C(I)C=CC=C1 D38936 [0,1,0,0,0,0|2,1,0]=4 295 B11R1.86 FC(F)OC1=CC=CN=C1Br B42290 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,0,0,0,0|0,1,1]=3 297 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 C39396 [0,1,0,0,0,0|1,1,1]=4 299 B11R1.86 NC1=C(OC(F)F)C=CC=C1 D67331 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,1,0,0,0,0|1,1,1]=4 303 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,1,0,0,0,0|1,1,1]=4 304 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 F51464 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 D52506 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.182 CCOC1=C(Br)C=NC(Cl)=C1 B45875 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [0,1,0,0,0,0|2,1,0]=4 309 B11R1.182 N#CCC1=C(Br)C=CC(F)=C1 B47684 [0,1,0,0,0,0|0,0,2]=3 310 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 D47687 [0,1,0,0,0,0|0,1,2]=4 311 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 C47691 [0,1,0,0,0,0|0,1,2]=4 312 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 B38134 [0,1,0,0,0,0|0,1,2]=4 313 B11R1.182 NC1=CC(CCO)=C(N)C=C1 D47001 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 D49228 [0,1,0,0,0,0|0,1,0]=2 315 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 D49148 [0,1,0,0,0,0|1,1,0]=3 316 B11R1.182 OCCC1=C(F)C=CC(F)=C1 D49156 [0,1,0,0,0,0|1,1,0]=3 317 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,1,0,0,0,0|1,0,2]=4 318 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [0,1,0,0,0,0|1,1,1]=4 320 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,1,0,0,0,0|1,1,0]=3 324 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,1,0,0,0,0|1,1,0]=3 325 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,1,0,0,0,0|1,1,0]=3 326 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [0,1,0,0,0,0|0,1,1]=3 330 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 C45693 [0,1,0,0,0,0|1,1,1]=4 331 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 F45704 [0,1,0,0,0,0|1,1,1]=4 332 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 A46331 [0,1,0,0,0,0|2,1,0]=4 333 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [0,1,0,0,0,0|1,1,0]=3 334 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [0,1,0,0,0,0|1,1,0]=3 335 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [0,1,0,0,0,0|1,1,0]=3 336 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [0,1,0,0,0,0|1,1,1]=4 337 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [0,1,0,0,0,0|1,1,1]=4 338 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [0,1,0,0,0,0|1,1,1]=4 340 B11R1.605 CCOC1=C(F)C=CC=C1F E49153 [0,1,0,0,0,0|2,1,0]=4 341 B11R1.605 N#CCC1=C(Br)C=CC=C1Br D47659 [0,1,0,0,0,0|0,0,2]=3 342 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl D39458 [0,1,0,0,0,0|0,1,2]=4 343 B11R1.605 N#CCC1=C(Cl)C=CC=C1F C47692 [0,1,0,0,0,0|0,1,2]=4 344 B11R1.605 N#CCC1=C(F)C=CC=C1F D38482 [0,1,0,0,0,0|0,1,2]=4 345 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl D64783 [0,1,0,0,0,0|0,1,0]=2 346 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl D38686 [0,1,0,0,0,0|1,1,0]=3 347 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,1,0,0|2,0,1]=4 348 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,0,1,0,0|2,0,0]=3 349 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,1,0,0|2,0,1]=4 350 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,1,0,0|2,0,0]=3 351 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,1,0,0|2,0,0]=3 352 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,0,0,1,0,0|3,0,0]=4 353 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,1,0,0|1,0,2]=4 354 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,0,0,1,0,0|2,0,1]=4 355 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,1,0,0|2,0,1]=4 356 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,0,0|2,0,1]=4 357 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,0,1,0,0|2,0,0]=3 358 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,1,0,0|2,0,0]=3 359 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,1,0,0|2,0,0]=3 360 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,0,1,0,0|3,0,0]=4 361 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,1,0,0|2,0,0]=3 362 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,0,1,0,0|3,0,0]=4 363 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,0,1,0,0|3,0,0]=4 364 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,0,1,0,0|3,0,0]=4 365 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,0,0,1,0,0|3,0,0]=4 366 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [0,0,0,1,0,0|2,0,0]=3 367 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [0,0,0,1,0,0|2,0,0]=3 368 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [0,0,0,1,0,0|2,0,0]=3 369 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [0,0,0,1,0,0|2,0,0]=3 370 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,0,1,0,0|3,0,0]=4 371 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,0,1,0,0|3,0,0]=4 372 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,0,0,1,0,0|2,0,0]=3 373 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,0,0,1,0,0|2,0,0]=3 374 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,0,0,1,0,0|2,0,0]=3 375 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,0,0,1,0,0|2,0,0]=3 376 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,0,0,1,0,0|2,0,0]=3 377 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,0,0,1,0,0|2,0,0]=3 378 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,0,1,0,0|3,0,0]=4 379 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,0,0,1,0,0|3,0,0]=4 380 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,0,0,1,0,0|3,0,0]=4 381 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,0,0,1,0,0|3,0,0]=4 382 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,0,0,1,0,0|3,0,0]=4 383 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [0,0,0,1,0,0|2,0,0]=3 384 B11R2.55 BrC1=C(C2CC2)N=CN=C1 B45616 [0,0,0,1,0,0|3,0,0]=4 385 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [0,0,0,1,0,0|2,0,0]=3 386 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [0,0,0,1,0,0|2,1,0]=4 387 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [0,0,0,1,0,0|2,1,0]=4 388 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [0,0,0,1,0,0|2,1,0]=4 389 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [0,0,0,1,0,0|2,0,0]=3 390 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [0,0,0,1,0,0|3,0,0]=4 391 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [0,0,0,1,0,0|3,0,0]=4 392 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2073 [0,0,0,1,0,0|0,0,2]=3 393 B11R2.106 BrC1=C2C=CNC2=CN=C1 B0450 [0,0,0,1,0,0|1,0,2]=4 394 B11R2.106 BrC1=C2C=CNC2=NC=C1 B3505 [0,0,0,1,0,0|1,0,2]=4 395 B11R2.106 BrC1=C2C=COC2=CC=C1 B10972 [0,0,0,1,0,0|1,0,2]=4 396 B11R2.106 BrC1=C2C=CSC2=CC=C1 B10436 [0,0,0,1,0,0|1,0,2]=4 397 B11R2.106 BrC1=C2C=NNC2=CC=C1 B4874 [0,0,0,1,0,0|1,0,1]=3 398 B11R2.106 BrC1=C2C=NNC2=CN=C1 B7629 [0,0,0,1,0,0|2,0,1]=4 399 B11R2.106 BrC1=C2C=NNC2=NC=C1 B5394 [0,0,0,1,0,0|2,0,1]=4 400 B11R2.106 BrC1=C2C=NOC2=CC=C1 B44518 [0,0,0,1,0,0|2,0,1]=4 401 B11R2.106 BrC1=C2CC=CC2=CC=C1 B38249 [0,0,0,1,0,0|1,0,1]=3 402 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [0,0,0,1,0,0|1,0,0]=2 403 B11R2.106 BrC1=C2CCNC2=CC=C1 B48872 [0,0,0,1,0,0|0,0,0]=1 404 B11R2.106 BrC1=C2CCNC2=CN=C1 B60365 [0,0,0,1,0,0|1,0,0]=2 405 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [0,0,0,1,0,0|1,0,0]=2 406 B11R2.106 BrC1=C2CNCC2=CC=C1 B5333 [0,0,0,1,0,0|2,0,0]=3 407 B11R2.106 BrC1=C2COCC2=CC=C1 B19438 [0,0,0,1,0,0|2,0,0]=3 408 B11R2.106 BrC1=C2N=CNC2=CC=C1 B25582 [0,0,0,1,0,0|1,0,1]=3 409 B11R2.106 BrC1=C2N=CNC2=CN=C1 B12555 [0,0,0,1,0,0|2,0,1]=4 410 B11R2.106 BrC1=C2N=CSC2=CC=C1 B44415 [0,0,0,1,0,0|2,0,1]=4 411 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2281 [0,0,0,1,0,0|2,0,1]=4 412 B11R2.106 BrC1=C2NCCC2=CN=C1 B8070 [0,0,0,1,0,0|3,0,0]=4 413 B11R2.106 BrC1=C2NN=CC2=CC=C1 B4875 [0,0,0,1,0,0|3,0,0]=4 414 B11R2.106 BrC1=C2NN=NC2=CC=C1 B16359 [0,0,0,1,0,0|2,0,1]=4 415 B11R2.106 BrC1=C2OC=CC2=CC=C1 B13732 [0,0,0,1,0,0|2,0,1]=4 416 B11R2.106 BrC1=C2OC=NC2=CC=C1 B26095 [0,0,0,1,0,0|1,0,2]=4 417 B11R2.106 BrC1=C2OCCC2=CC=C1 B22264 [0,0,0,1,0,0|2,0,0]=3 418 B11R2.106 BrC1=C2OCOC2=CC=C1 B24818 [0,0,0,1,0,0|2,0,0]=3 419 B11R2.106 BrC1=C2ON=CC2=CC=C1 B18242 [0,0,0,1,0,0|3,0,0]=4 420 B11R2.106 BrC1=C2SC=CC2=CC=C1 B19611 [0,0,0,1,0,0|2,0,1]=4 421 B11R2.106 BrC1=C2SC=NC2=CC=C1 B14564 [0,0,0,1,0,0|1,0,2]=4 422 B11R2.106 BrC1=CC=CC2=CNN=C12 B38806 [0,0,0,1,0,0|3,0,0]=4 423 B11R2.106 BrC1=CC=CC2=NSN=C12 B41823 [0,0,0,1,0,0|2,0,1]=4 424 B11R2.106 BrC1=NC=CC2=C1C=CN2 B8678 [0,0,0,1,0,0|1,0,2]=4 425 B11R2.106 BrC1=NC=CC2=C1C=NN2 B7824 [0,0,0,1,0,0|2,0,1]=4 426 B11R2.106 BrC1=NC=CC2=C1N=CN2 B12556 [0,0,0,1,0,0|2,0,1]=4 427 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,0,0,1,0,0|2,0,0]=3 428 B11R2.106 CC1=CC=CC2=C1C=CN2 M2328 [0,0,0,1,0,0|1,0,2]=4 429 B11R2.106 CC1=CC=CC2=C1C=NN2 M9759 [0,0,0,1,0,0|2,0,1]=4 430 B11R2.106 ClC1=C2C=CNC2=CC=C1 C2290 [0,0,0,1,0,0|0,1,2]=4 431 B11R2.106 ClC1=C2C=NNC2=CC=C1 C9583 [0,0,0,1,0,0|1,1,1]=4 432 B11R2.106 ClC1=C2CC=CC2=CC=C1 C51042 [0,0,0,1,0,0|1,1,1]=4 433 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [0,0,0,1,0,0|2,1,0]=4 434 B11R2.106 ClC1=C2CCNC2=CC=C1 C48879 [0,0,0,1,0,0|0,1,0]=2 435 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [0,0,0,1,0,0|1,1,0]=3 436 B11R2.106 ClC1=C2CNCC2=CC=C1 C36885 [0,0,0,1,0,0|2,1,0]=4 437 B11R2.106 ClC1=NC=CC2=C1CCN2 C14624 [0,0,0,1,0,0|1,1,0]=3 438 B11R2.106 ClC1=NC=CC2=C1CCN2 C5708 [0,0,0,1,0,0|1,1,0]=3 439 B11R2.106 ClC1=NC=NC2=C1CCN2 C20810 [0,0,0,1,0,0|2,1,0]=4 440 B11R2.106 FC1=C2C=CNC2=CC=C1 F3191 [0,0,0,1,0,0|0,1,2]=4 441 B11R2.106 FC1=C2C=NNC2=CC=C1 B5804 [0,0,0,1,0,0|1,1,1]=4 442 B11R2.106 FC1=C2CCOC2=NC=C1 F30045 [0,0,0,1,0,0|2,1,0]=4 443 B11R2.106 FC1=C2CNCC2=CC=C1 F37051 [0,0,0,1,0,0|2,1,0]=4 444 B11R2.106 FC1=C2NCCC2=CC=C1 F49614 [0,0,0,1,0,0|2,1,0]=4 445 B11R2.106 IC1=C2C=CNC2=CC=C1 K47984 [0,0,0,1,0,0|0,1,2]=4 446 B11R2.106 IC1=C2C=NNC2=CC=C1 I12248 [0,0,0,1,0,0|1,1,1]=4 447 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [0,0,0,1,0,0|1,1,0]=3 448 B11R2.106 IC1=C2OCOC2=CC=C1 K45104 [0,0,0,1,0,0|2,1,0]=4 449 B11R2.106 NC1=C2OCCC2=CC=C1 A64522 [0,0,0,1,0,0|3,0,0]=4 450 B11R2.106 NC1=C2OCOC2=CC=C1 B45818 [0,0,0,1,0,0|3,0,0]=4 451 B11R2.106 NC1=CC=CC2=C1C=CN2 A24052 [0,0,0,1,0,0|1,0,2]=4 452 B11R2.106 NC1=CC=CC2=C1C=NN2 A5405 [0,0,0,1,0,0|2,0,1]=4 453 B11R2.106 NC1=CC=CC2=C1CCN2 K46638 [0,0,0,1,0,0|1,0,0]=2 454 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [0,0,0,1,0,0|2,0,0]=3 455 B11R2.106 NC1=CC=CC2=C1CNC2 K49654 [0,0,0,1,0,0|3,0,0]=4 456 B11R2.106 O=C1C=CC=C2NCCN12 D45988 [0,0,0,1,0,0|2,0,0]=3 457 B11R2.106 OC1=C2C=CNC2=CC=C1 F2313 [0,0,0,1,0,0|1,0,2]=4 458 B11R2.106 OC1=C2C=NNC2=CC=C1 H3303 [0,0,0,1,0,0|2,0,1]=4 459 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [0,0,0,1,0,0|2,0,0]=3 460 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [0,0,0,1,0,0|2,0,0]=3 461 B11R2.106 OC1=C2CNCC2=CC=C1 K49644 [0,0,0,1,0,0|3,0,0]=4 462 B11R2.106 OC1=C2N=CNC2=CC=C1 B45210 [0,0,0,1,0,0|2,0,1]=4 463 B11R2.106 OC1=C2OCOC2=CC=C1 B24932 [0,0,0,1,0,0|3,0,0]=4 464 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,0,1,0,0|2,0,0]=3 465 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,0,0,0,1,0|3,0,0]=4 466 B9R1.33 CC1=NC=CN1CCN M43556 [0,0,0,0,1,0|3,0,0]=4 467 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 468 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 475 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|1,0,0]=3 479 B8R1.2 NCC1=CC=CN=N1 A0031 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.2 NCC1=CC=CN=N1 P29569 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|1,0,0]=3 482 B8R1.2 NCC1=CN=CN=C1 P0028 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.2 NCC1=CN=CN=C1 P29548 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.2 NCC1=CN=NC=C1 A0027 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.2 NCC1=CN=NC=C1 P41350 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.2 NCC1=NC=CC=N1 A7421 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.2 NCC1=NC=CC=N1 P0030 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.2 NCC1=NC=CN=C1 P0029 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.2 NCC1=NC=CN=C1 P4303 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.2 NCC1=NC=NC=C1 A0032 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.2 NCC1=NC=NC=C1 A10198 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.2 NCC1=NC=NC=C1 P23754 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|1,0,0]=3 494 B8R1.2 NNC1=CC=CN=C1 H0043 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.2 NNC1=CC=CN=C1 H41349 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.2 NNC1=CC=NC=C1 H0042 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.2 NNC1=NC=CC=C1 H38511 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 499 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.5 BrC1=C(Br)C=NC=C1 D37531 [2,0,0,0,0,0|2,0,0]=4 505 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [2,0,0,0,0,0|1,0,0]=3 506 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [2,0,0,0,0,0|2,0,0]=4 507 B8R1.5 BrC1=C(I)C=CN=C1 B40638 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.5 BrC1=C(I)C=NC=C1 B38878 [2,0,0,0,0,0|2,0,0]=4 509 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [2,0,0,0,0,0|1,0,0]=3 510 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [2,0,0,0,0,0|1,0,0]=3 511 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [2,0,0,0,0,0|1,0,0]=3 512 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [2,0,0,0,0,0|2,0,0]=4 513 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [2,0,0,0,0,0|1,1,0]=4 514 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [2,0,0,0,0,0|1,1,0]=4 515 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [2,0,0,0,0,0|1,1,0]=4 516 B8R1.5 CC1=C(F)C=CC=N1 F69193 [2,0,0,0,0,0|1,1,0]=4 517 B8R1.5 CC1=C(F)C=CN=C1 F43525 [2,0,0,0,0,0|1,1,0]=4 518 B8R1.5 CC1=C(F)C=NC=C1 F3668 [2,0,0,0,0,0|1,1,0]=4 519 B8R1.5 CC1=C(I)C=CC=C1 K67847 [2,0,0,0,0,0|0,1,0]=3 520 B8R1.5 CC1=C(N)C=CN=C1 A4667 [2,0,0,0,0,0|2,0,0]=4 521 B8R1.5 CC1=C(N)C=NC=C1 A14314 [2,0,0,0,0,0|2,0,0]=4 522 B8R1.5 CC1=C(O)C=CC=N1 H10468 [2,0,0,0,0,0|2,0,0]=4 523 B8R1.5 CC1=C(O)C=CN=C1 M43132 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.5 CC1=C(O)C=NC=C1 H12910 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [2,0,0,0,0,0|1,0,0]=3 526 B8R1.5 CC1=CC=CN=C1Br B13771 [2,0,0,0,0,0|1,0,0]=3 527 B8R1.5 CC1=CC=CN=C1C L68373 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.5 CC1=CC=CN=C1Cl C21969 [2,0,0,0,0,0|1,1,0]=4 529 B8R1.5 CC1=CC=CN=C1F F42847 [2,0,0,0,0,0|1,1,0]=4 530 B8R1.5 CC1=CC=CN=C1N M20541 [2,0,0,0,0,0|2,0,0]=4 531 B8R1.5 CC1=CC=CNC1=O M68618 [2,0,0,0,0,0|2,0,0]=4 532 B8R1.5 CC1=NC=CN=C1Br B14599 [2,0,0,0,0,0|2,0,0]=4 533 B8R1.5 CN1C=CC=CC1=O M62252 [2,0,0,0,0,0|2,0,0]=4 534 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [2,0,0,0,0,0|1,1,0]=4 535 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [2,0,0,0,0,0|1,0,0]=3 536 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.5 ClC1=C(Br)C=CN=C1 B3024 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.5 ClC1=C(Br)C=NC=C1 B23333 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.5 ClC1=C(Br)C=NC=C1 B5671 [2,0,0,0,0,0|2,0,0]=4 540 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [2,0,0,0,0,0|1,1,0]=4 541 B8R1.5 ClC1=CC=CN=C1Br B40634 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [2,0,0,0,0,0|1,0,0]=3 543 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [2,0,0,0,0,0|2,0,0]=4 544 B8R1.5 FC1=C(Br)C=CN=C1 B7643 [2,0,0,0,0,0|2,0,0]=4 545 B8R1.5 FC1=C(Br)C=NC=C1 B4918 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.5 FC1=CC=CN=C1Br B3502 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.5 IC1=C(I)C=CC=C1 D38439 [2,0,0,0,0,0|1,1,0]=4 548 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [2,0,0,0,0,0|1,0,0]=3 549 B8R1.5 NC1=C(Br)C=CN=C1 A8893 [2,0,0,0,0,0|1,0,0]=3 550 B8R1.5 NC1=C(Br)C=NC=C1 A40869 [2,0,0,0,0,0|1,0,0]=3 551 B8R1.5 NC1=C(Br)C=NC=N1 A38147 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.5 NC1=C(Br)C=NN=C1 B36813 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [2,0,0,0,0,0|1,1,0]=4 554 B8R1.5 NC1=C(Cl)C=CN=C1 A22240 [2,0,0,0,0,0|1,1,0]=4 555 B8R1.5 NC1=C(Cl)C=NC=C1 A8881 [2,0,0,0,0,0|1,1,0]=4 556 B8R1.5 NC1=C(F)C=CC=C1 F66698 [2,0,0,0,0,0|0,1,0]=3 557 B8R1.5 NC1=C(F)C=CC=N1 A37908 [2,0,0,0,0,0|1,1,0]=4 558 B8R1.5 NC1=C(F)C=NC=C1 A2815 [2,0,0,0,0,0|1,1,0]=4 559 B8R1.5 NC1=C(I)C=CC=C1 K67831 [2,0,0,0,0,0|0,1,0]=3 560 B8R1.5 NC1=C(I)C=CC=N1 I0599 [2,0,0,0,0,0|1,1,0]=4 561 B8R1.5 NC1=C(I)C=CN=C1 I12632 [2,0,0,0,0,0|1,1,0]=4 562 B8R1.5 NC1=C(I)C=NC=C1 A3436 [2,0,0,0,0,0|1,1,0]=4 563 B8R1.5 NC1=C(N)C=NC=C1 P24217 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.5 NC1=C(O)C=CC=N1 A31053 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.5 NC1=C(O)C=CN=C1 A4768 [2,0,0,0,0,0|2,0,0]=4 566 B8R1.5 NC1=C(O)C=NC=C1 A38212 [2,0,0,0,0,0|2,0,0]=4 567 B8R1.5 NC1=C(O)C=NC=C1 A62454 [2,0,0,0,0,0|2,0,0]=4 568 B8R1.5 NC1=C(S)C=NC=C1 A21808 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.5 NC1=CC=CN=C1Br A4535 [2,0,0,0,0,0|1,0,0]=3 570 B8R1.5 NC1=CC=CN=C1Cl C0716 [2,0,0,0,0,0|1,1,0]=4 571 B8R1.5 NC1=CC=CN=C1F F9484 [2,0,0,0,0,0|1,1,0]=4 572 B8R1.5 NC1=CC=CN=C1I K40887 [2,0,0,0,0,0|1,1,0]=4 573 B8R1.5 NC1=CC=CN=C1O A0666 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.5 NC1=CC=CNC1=S A23408 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.5 NC1=CN=CN=C1Br A40084 [2,0,0,0,0,0|2,0,0]=4 576 B8R1.5 NC1=CNC=CC1=O A41025 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.5 NC1=NC=CN=C1Br A38037 [2,0,0,0,0,0|2,0,0]=4 578 B8R1.5 O=C1NC=CC=C1Br B12634 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.5 OC1=C(F)C=CC=C1 F60817 [2,0,0,0,0,0|1,1,0]=4 581 B8R1.5 OC1=C(I)C=CC=C1 K68101 [2,0,0,0,0,0|1,1,0]=4 582 B8R1.5 OC1=CC=CN=C1Br B12744 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.5 SC1=C(Br)C=NC=C1 B67001 [2,0,0,0,0,0|2,0,0]=4 584 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|0,0,2]=4 585 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|0,0,2]=4 609 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|0,0,2]=4 610 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|0,0,2]=4 611 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|0,0,2]=4 612 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|0,0,0]=2 613 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|0,0,0]=2 614 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|0,0,2]=4 634 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|0,0,2]=4 645 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|0,0,2]=4 646 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|0,0,2]=4 647 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|0,0,2]=4 648 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|0,0,2]=4 649 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|0,0,0]=2 651 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|0,0,0]=2 652 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|0,0,0]=2 653 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|0,0,0]=2 654 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|0,0,0]=2 655 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|0,0,0]=2 656 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|0,0,0]=2 675 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|0,0,0]=2 676 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|0,0,0]=2 677 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|0,0,0]=2 680 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|0,0,0]=2 682 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|0,0,2]=4 707 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|0,0,0]=2 709 B10R1.17 NCCNC1=NC=CC=N1 P41447 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|0,0,0]=2 711 B10R1.17 NCCOC1=CC=NC=C1 P46588 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.17 NCCOC1=NC=CC=C1 P43633 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.17 OCCSC1=NC=CC=C1 P46439 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|0,0,1]=3 723 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|0,0,1]=3 725 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.2 CC1=C(Br)C=CC=C1CO B36982 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.2 CC1=CC=CC(C#N)=C1Br B47944 [1,1,0,0,0,0|0,0,2]=4 729 B10R1.2 CC1=CC=CC(C=O)=C1Br B37238 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.2 CC1=CC=CC(CBr)=C1C B49965 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.2 CC1=CC=CC(CN)=C1O A49525 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.2 CC1=CC=CC(CO)=C1N A46912 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.2 CN1C=CC=C(CN)C1=O A10236 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.2 CNC1=C(N)C(C)=CC=C1 D46971 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.2 COC1=C(Br)C(C)=CC=C1 B49438 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.2 COC1=C(Br)C(C)=CC=N1 B12856 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 B17527 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.2 COC1=C(Br)C(N)=CC=C1 B46150 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.2 COC1=C(Br)C(N)=CC=N1 B11303 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.2 COC1=C(Br)C(O)=CC=C1 B37391 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.2 COC1=C(C)C(N)=CC=C1 M46898 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.2 COC1=C(C)C(N)=CC=C1 M49523 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C15640 [1,1,0,0,0,0|1,1,0]=4 746 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C64073 [1,1,0,0,0,0|1,1,0]=4 747 B10R1.2 COC1=C(Cl)C(O)=CC=C1 C38626 [1,1,0,0,0,0|1,1,0]=4 748 B10R1.2 COC1=C(F)C(N)=CC=C1 F36888 [1,1,0,0,0,0|1,1,0]=4 749 B10R1.2 COC1=C(I)C(N)=CC=C1 K46227 [1,1,0,0,0,0|1,1,0]=4 750 B10R1.2 COC1=C(N)C(C)=CC=C1 M46896 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.2 COC1=C(N)C(N)=CC=C1 M36728 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.2 COC1=C(N)C(O)=CC=C1 A46392 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.2 COC1=C(O)C(C)=CC=C1 M46825 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.2 COC1=C(O)C(N)=CC=C1 A46577 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.2 COC1=CC=CC(Br)=C1Br D45548 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.2 COC1=CC=CC(Br)=C1C B49435 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.2 COC1=CC=CC(Br)=C1Cl B45552 [1,1,0,0,0,0|1,1,0]=4 758 B10R1.2 COC1=CC=CC(Br)=C1F B45572 [1,1,0,0,0,0|1,1,0]=4 759 B10R1.2 COC1=CC=CC(Br)=C1I B45581 [1,1,0,0,0,0|1,1,0]=4 760 B10R1.2 COC1=CC=CC(Br)=C1N B36703 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.2 COC1=CC=CC(Br)=C1O B1786 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.2 COC1=CC=CC(Cl)=C1Cl D39394 [1,1,0,0,0,0|1,1,0]=4 763 B10R1.2 COC1=CC=CC(Cl)=C1F C45598 [1,1,0,0,0,0|1,1,0]=4 764 B10R1.2 COC1=CC=CC(Cl)=C1N C46186 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.2 COC1=CC=CC(F)=C1Br B45576 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.2 COC1=CC=CC(F)=C1F D45604 [1,1,0,0,0,0|1,1,0]=4 767 B10R1.2 COC1=CC=CC(F)=C1N F38548 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.2 COC1=CC=CC(F)=C1O F45916 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.2 COC1=CC=CC(I)=C1Br B63575 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.2 COC1=CC=CC(I)=C1O K45923 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.2 COC1=CC=NC(Cl)=C1Br B42642 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.2 ClC1=CC=CC(CBr)=C1Cl B44706 [1,1,0,0,0,0|1,1,0]=4 773 B10R1.2 FC1=C(Br)C(CBr)=CC=C1 B44698 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.2 FC1=C(Br)C=CC=C1CBr B44695 [1,1,0,0,0,0|1,1,0]=4 775 B10R1.2 FC1=C(CBr)C=CC=C1Cl B44715 [1,1,0,0,0,0|1,1,0]=4 776 B10R1.2 FC1=CC=CC(CBr)=C1Cl B44713 [1,1,0,0,0,0|1,1,0]=4 777 B10R1.2 FC1=CC=CC(CBr)=C1F D44722 [1,1,0,0,0,0|1,1,0]=4 778 B10R1.2 N#CC1=CC=CC(F)=C1Br B44103 [1,1,0,0,0,0|0,0,2]=4 779 B10R1.2 N#CC1=CC=CC(N)=C1Br A44738 [1,1,0,0,0,0|0,0,2]=4 780 B10R1.2 N#CC1=CC=CC(O)=C1Br B44520 [1,1,0,0,0,0|0,0,2]=4 781 B10R1.2 NC1=C(Br)C=CC=C1CO A46163 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.2 NC1=C(Cl)C=CC=C1CO A46194 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.2 NC1=C(F)C(CO)=CC=C1 A46217 [1,1,0,0,0,0|1,1,0]=4 784 B10R1.2 NC1=C(F)C=CC=C1CO A46214 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.2 NC1=CC=CC(CO)=C1N D43630 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.2 NCC1=CC=CC(Br)=C1F B45783 [1,1,0,0,0,0|0,1,0]=3 787 B10R1.2 NCC1=CC=CC(Br)=C1F B67797 [1,1,0,0,0,0|0,1,0]=3 788 B10R1.2 NCC1=CC=CC(F)=C1Br B45782 [1,1,0,0,0,0|0,0,0]=2 789 B10R1.2 NCC1=CC=CC(I)=C1Br B45784 [1,1,0,0,0,0|0,0,0]=2 790 B10R1.2 NCC1=CC=CC(I)=C1Cl C45806 [1,1,0,0,0,0|0,1,0]=3 791 B10R1.2 NNC1=CC=CC(Cl)=C1Cl D42756 [1,1,0,0,0,0|1,1,0]=4 792 B10R1.2 NNC1=CC=CC(Cl)=C1F C42763 [1,1,0,0,0,0|1,1,0]=4 793 B10R1.2 NNC1=CC=CC(F)=C1Cl C42759 [1,1,0,0,0,0|1,1,0]=4 794 B10R1.2 NNC1=CC=CC(F)=C1F D38781 [1,1,0,0,0,0|1,1,0]=4 795 B10R1.2 O=CC1=CC=CC(Br)=C1Br D44631 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.2 O=CC1=CC=CC(Cl)=C1Br B38610 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.2 O=CC1=CC=CC(F)=C1Br B44644 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.2 O=CC1=CC=CC(O)=C1Br B45081 [1,1,0,0,0,0|1,0,1]=4 799 B10R1.2 OCC1=CC=CC(Br)=C1Cl B45555 [1,1,0,0,0,0|1,1,0]=4 800 B10R1.2 OCC1=CC=CC(Br)=C1F B37891 [1,1,0,0,0,0|1,1,0]=4 801 B10R1.2 OCC1=CC=CC(Cl)=C1Cl D45588 [1,1,0,0,0,0|1,1,0]=4 802 B10R1.2 OCC1=CC=CC(F)=C1F D45606 [1,1,0,0,0,0|1,1,0]=4 803 B10R1.2 OCC1=CC=CC(I)=C1Br B45578 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [1,1,0,0,0,0|1,0,0]=3 817 B10R1.20 COC1=C(CN)C=CN=C1 M46465 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.20 COC1=NC=CC=C1CN A12723 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.20 COC1=NC=CC=C1CN A7689 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.20 N#CC1=C(CBr)C=CC=C1 C39464 [1,1,0,0,0,0|0,0,2]=4 823 B10R1.20 N#CC1=C(CN)C=CC=C1 A49610 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.20 N#CC1=C(CO)C=CC=C1 H36906 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.20 N#CC1=C(NN)C=CC=C1 H37662 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.25 BrCC1=C(I)C=C(Br)C=C1 B44700 [1,1,0,0,0,0|1,1,0]=4 831 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.25 CC1=C(NN)C=CC(F)=C1 F46564 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.25 CC1=CC(Br)=C(C#N)C=C1 B47945 [1,1,0,0,0,0|0,0,2]=4 839 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 B48711 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.25 CC1=CC(Br)=CN=C1CN B46293 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.25 CC1=CC(C)=C(NN)C=C1 D49534 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [1,1,0,0,0,0|0,1,0]=3 845 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [1,1,0,0,0,0|0,1,0]=3 848 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [1,1,0,0,0,0|0,1,0]=3 849 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.25 CCN1C=CC(Br)=CC1=O B15236 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.25 CCN1C=CC(N)=CC1=O A27174 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.25 CCN1C=CC(N)=CC1=O A7787 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.25 CNC1=C(N)C=C(Br)C=C1 B46287 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 C46303 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.25 COC1=C(Br)C=C(Br)C=N1 D42633 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.25 COC1=C(Br)C=C(Cl)C=N1 B16110 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 B42645 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.25 COC1=C(Br)C=C(F)C=N1 B42652 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.25 COC1=C(Br)C=C(F)N=C1 B37314 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.25 COC1=C(Br)C=C(N)C=N1 B43055 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.25 COC1=C(Br)C=C(O)C=N1 B42852 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.25 COC1=C(Br)N=C(I)C=C1 B36842 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [1,1,0,0,0,0|1,1,0]=4 880 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [1,1,0,0,0,0|1,1,0]=4 881 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [1,1,0,0,0,0|1,1,0]=4 882 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [1,1,0,0,0,0|1,1,0]=4 883 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [1,1,0,0,0,0|1,1,0]=4 884 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [1,1,0,0,0,0|1,1,0]=4 885 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [1,1,0,0,0,0|1,1,0]=4 886 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [1,1,0,0,0,0|1,1,0]=4 887 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [1,1,0,0,0,0|1,1,0]=4 888 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [1,1,0,0,0,0|1,1,0]=4 889 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [1,1,0,0,0,0|1,1,0]=4 890 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.25 COC1=CC=C(Br)N=C1Br D42631 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.25 COC1=CC=C(Cl)N=C1Br B42641 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 B44691 [1,1,0,0,0,0|1,1,0]=4 904 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 B38059 [1,1,0,0,0,0|1,1,0]=4 905 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 B39350 [1,1,0,0,0,0|1,1,0]=4 906 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 B44692 [1,1,0,0,0,0|1,0,0]=3 907 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 B44714 [1,1,0,0,0,0|1,1,0]=4 908 B10R1.25 FC1=CC(F)=C(CBr)C=C1 B44724 [1,1,0,0,0,0|1,1,0]=4 909 B10R1.25 N#CC1=C(Br)C=C(Br)C=C1 D38778 [1,1,0,0,0,0|0,0,2]=4 910 B10R1.25 N#CC1=C(Br)C=C(Cl)C=C1 B5579 [1,1,0,0,0,0|0,0,2]=4 911 B10R1.25 N#CC1=C(Br)C=C(F)C=C1 B44104 [1,1,0,0,0,0|0,0,2]=4 912 B10R1.25 N#CC1=C(Br)C=C(N)C=C1 A44740 [1,1,0,0,0,0|0,0,2]=4 913 B10R1.25 NC1=C(CO)C=CC(Br)=C1 A46164 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.25 NC1=C(CO)C=CC(Cl)=C1 A46195 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 B45767 [1,1,0,0,0,0|0,0,0]=2 916 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 D45792 [1,1,0,0,0,0|0,1,0]=3 917 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 C68851 [1,1,0,0,0,0|0,1,0]=3 918 B10R1.25 NCC1=C(F)C=C(Br)C=C1 B45781 [1,1,0,0,0,0|0,1,0]=3 919 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 C63109 [1,1,0,0,0,0|0,1,0]=3 920 B10R1.25 NCC1=C(F)C=C(F)C=C1 D38872 [1,1,0,0,0,0|0,1,0]=3 921 B10R1.25 NCC1=C(F)C=C(F)C=N1 D43571 [1,1,0,0,0,0|1,1,0]=4 922 B10R1.25 NCC1=C(O)C=C(Br)C=C1 A46159 [1,1,0,0,0,0|1,0,0]=3 923 B10R1.25 NCC1=NC=C(Br)C=C1F A12623 [1,1,0,0,0,0|1,1,0]=4 924 B10R1.25 NCC1=NC=C(Br)C=C1F B27080 [1,1,0,0,0,0|1,1,0]=4 925 B10R1.25 NNC1=C(Br)C=C(Br)C=C1 D62018 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 D68750 [1,1,0,0,0,0|1,1,0]=4 927 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 C42760 [1,1,0,0,0,0|1,1,0]=4 928 B10R1.25 NNC1=C(F)C=C(Br)C=C1 B42739 [1,1,0,0,0,0|1,1,0]=4 929 B10R1.25 NNC1=C(F)C=C(Cl)C=C1 C42764 [1,1,0,0,0,0|1,1,0]=4 930 B10R1.25 NNC1=C(F)C=C(F)C=C1 D39285 [1,1,0,0,0,0|1,1,0]=4 931 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 D44632 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 B7860 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 B39342 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 B67802 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 B37795 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 D45544 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 B17743 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.25 OCC1=C(Br)C=C(F)C=C1 B45567 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.25 OCC1=C(Br)C=C(O)C=C1 B45904 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 D63315 [1,1,0,0,0,0|1,1,0]=4 941 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 C45594 [1,1,0,0,0,0|1,1,0]=4 942 B10R1.25 OCC1=C(F)C=C(Br)C=C1 B61349 [1,1,0,0,0,0|1,1,0]=4 943 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 C45596 [1,1,0,0,0,0|1,1,0]=4 944 B10R1.25 OCC1=C(F)C=C(F)C=C1 D45607 [1,1,0,0,0,0|1,1,0]=4 945 B10R1.25 OCC1=C(F)C=C(O)C=C1 F38990 [1,1,0,0,0,0|1,1,0]=4 946 B10R1.25 OCC1=C(O)C=C(Br)C=C1 B38232 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.25 OCC1=CC=C(Br)N=C1Br D42635 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.30 CC1=C(CBr)C=C(F)C=C1 B48769 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.30 CC1=C(CO)C=C(Br)C=C1 B67343 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.30 CC1=C(CO)C=C(I)C=C1 K49473 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.30 CC1=C(NN)C=C(Br)C=C1 B62458 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 C46308 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.30 CC1=CC(C#N)=C(Br)C=C1 B47946 [1,1,0,0,0,0|0,0,2]=4 954 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 B48712 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.30 CC1=CC(CO)=C(Br)C=C1 B63209 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.30 CC1=CC(CO)=C(Br)C=N1 B46177 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.30 CC1=CC(NN)=C(C)C=C1 D49535 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.30 CC1=CC(NN)=C(Cl)C=C1 C46307 [1,1,0,0,0,0|1,1,0]=4 959 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [1,1,0,0,0,0|0,0,0]=2 961 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [1,1,0,0,0,0|0,1,0]=3 962 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.30 CCN1C=C(Br)C=CC1=O B46165 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.30 CNC1=C(N)C=CC(Br)=C1 B46288 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C46304 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 B42644 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.30 COC1=C(Br)C=CC(N)=N1 B17534 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [1,1,0,0,0,0|1,0,0]=3 979 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.30 COC1=C(Br)C=NC(Cl)=C1 B42647 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.30 COC1=C(Br)C=NC(N)=C1 B17813 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [1,1,0,0,0,0|1,1,0]=4 986 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [1,1,0,0,0,0|1,1,0]=4 987 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [1,1,0,0,0,0|1,1,0]=4 988 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [1,1,0,0,0,0|1,1,0]=4 989 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [1,1,0,0,0,0|1,1,0]=4 990 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [1,1,0,0,0,0|1,1,0]=4 991 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [1,1,0,0,0,0|1,1,0]=4 992 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [1,1,0,0,0,0|1,1,0]=4 993 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [1,1,0,0,0,0|1,1,0]=4 994 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [1,1,0,0,0,0|1,1,0]=4 995 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [1,1,0,0,0,0|1,1,0]=4 996 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [1,1,0,0,0,0|1,1,0]=4 997 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [1,1,0,0,0,0|1,1,0]=4 998 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.30 COC1=CC(Br)=NC=C1Br D42630 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.30 COC1=CC(N)=CN=C1Br B37681 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.30 CSC1=C(N)C=CC(Br)=C1 B69348 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.30 ClC1=CC(CBr)=C(Br)C=C1 B44690 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 B44708 [1,1,0,0,0,0|1,1,0]=4 1015 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 B44711 [1,1,0,0,0,0|1,1,0]=4 1016 B10R1.30 ClCC1=CC(Cl)=CN=C1Br B42200 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.30 FC1=C(CBr)C=C(Br)C=C1 B44693 [1,1,0,0,0,0|1,1,0]=4 1018 B10R1.30 N#CC1=C(Br)C=CC(Br)=C1 D44088 [1,1,0,0,0,0|0,0,2]=4 1019 B10R1.30 N#CC1=C(Br)C=CC(Cl)=C1 B44091 [1,1,0,0,0,0|0,0,2]=4 1020 B10R1.30 N#CC1=C(Br)C=CC(F)=C1 B44105 [1,1,0,0,0,0|0,0,2]=4 1021 B10R1.30 N#CC1=C(Br)C=CC(I)=C1 B37184 [1,1,0,0,0,0|0,0,2]=4 1022 B10R1.30 N#CC1=C(Br)C=CC(N)=C1 A44742 [1,1,0,0,0,0|0,0,2]=4 1023 B10R1.30 N#CC1=C(Br)C=CC(O)=C1 B44521 [1,1,0,0,0,0|0,0,2]=4 1024 B10R1.30 NC1=C(CO)C=C(Br)C=C1 A10854 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 A46196 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.30 NC1=C(CO)C=C(F)C=C1 A46215 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.30 NC1=CC(CO)=C(F)C=C1 A46219 [1,1,0,0,0,0|1,1,0]=4 1028 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 B42733 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 D45793 [1,1,0,0,0,0|0,1,0]=3 1030 B10R1.30 NCC1=C(F)C=CC(Br)=C1 B61206 [1,1,0,0,0,0|0,1,0]=3 1031 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 C38176 [1,1,0,0,0,0|0,1,0]=3 1032 B10R1.30 NCC1=C(F)C=CC(F)=C1 D45811 [1,1,0,0,0,0|0,1,0]=3 1033 B10R1.30 NCC1=C(N)C=CC(Br)=C1 A46294 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.30 NCC1=C(N)C=CC(Cl)=C1 A46298 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.30 NCC1=C(O)C=CC(Br)=C1 A46182 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.30 NCC1=CC(Br)=CN=C1F A12901 [1,1,0,0,0,0|1,1,0]=4 1037 B10R1.30 NNC1=C(Br)C=CC(Br)=C1 D42724 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.30 NNC1=C(Br)C=CC(F)=C1 B42737 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.30 NNC1=C(Cl)C=CC(Cl)=C1 D42757 [1,1,0,0,0,0|1,1,0]=4 1040 B10R1.30 NNC1=C(Cl)C=CC(F)=C1 C42761 [1,1,0,0,0,0|1,1,0]=4 1041 B10R1.30 NNC1=C(F)C=CC(Br)=C1 B42740 [1,1,0,0,0,0|1,1,0]=4 1042 B10R1.30 NNC1=C(F)C=CC(F)=C1 D43515 [1,1,0,0,0,0|1,1,0]=4 1043 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 D44633 [1,1,0,0,0,0|1,0,1]=4 1044 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 B37820 [1,1,0,0,0,0|1,0,1]=4 1045 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 B44658 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 B45082 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.30 OCC1=C(Br)C=CC(Br)=C1 D45545 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 B45558 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.30 OCC1=C(Br)C=CC(F)=C1 B45568 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.30 OCC1=C(Br)C=CC(I)=C1 B45579 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 B45559 [1,1,0,0,0,0|1,1,0]=4 1052 B10R1.30 OCC1=C(Cl)C=CC(Cl)=C1 D45589 [1,1,0,0,0,0|1,1,0]=4 1053 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 C45595 [1,1,0,0,0,0|1,1,0]=4 1054 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C45913 [1,1,0,0,0,0|1,1,0]=4 1055 B10R1.30 OCC1=C(F)C=CC(Br)=C1 B45571 [1,1,0,0,0,0|1,1,0]=4 1056 B10R1.30 OCC1=C(I)C=CC(Br)=C1 B45580 [1,1,0,0,0,0|1,1,0]=4 1057 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.30 OCC1=CC(Cl)=CN=C1Br B42649 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,1,0,0,0,0|1,0,1]=4 1060 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,1,0,0,0,0|0,0,1]=3 1061 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [1,1,0,0,0,0|1,0,1]=4 1062 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,1,0,0,0,0|0,1,1]=4 1065 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,1,0,0,0,0|0,1,1]=4 1066 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,1,0,0,0,0|0,1,1]=4 1067 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [1,1,0,0,0,0|1,0,1]=4 1069 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [1,1,0,0,0,0|0,0,0]=2 1070 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [1,1,0,0,0,0|0,1,0]=3 1071 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [1,1,0,0,0,0|1,1,0]=4 1075 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [1,1,0,0,0,0|1,1,0]=4 1082 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [1,1,0,0,0,0|0,0,0]=2 1085 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [1,1,0,0,0,0|0,0,0]=2 1086 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [1,1,0,0,0,0|0,1,0]=3 1087 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [1,1,0,0,0,0|0,1,0]=3 1088 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [1,1,0,0,0,0|0,0,0]=2 1089 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [1,1,0,0,0,0|0,1,0]=3 1090 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [1,1,0,0,0,0|0,1,0]=3 1091 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [1,1,0,0,0,0|0,1,0]=3 1092 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [1,1,0,0,0,0|0,0,0]=2 1093 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [1,1,0,0,0,0|0,0,0]=2 1094 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [1,1,0,0,0,0|0,0,0]=2 1095 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [1,1,0,0,0,0|0,1,0]=3 1096 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [1,1,0,0,0,0|0,1,0]=3 1097 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [1,1,0,0,0,0|0,1,0]=3 1098 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [1,1,0,0,0,0|0,1,0]=3 1099 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [1,1,0,0,0,0|0,0,0]=2 1100 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [1,1,0,0,0,0|1,0,0]=3 1101 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [1,1,0,0,0,0|0,1,0]=3 1102 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [1,1,0,0,0,0|0,1,0]=3 1103 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [1,1,0,0,0,0|0,1,0]=3 1104 B10R1.61 C[C@H](O)C1=C(F)C=NC=C1 F46213 [1,1,0,0,0,0|1,1,0]=4 1105 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [1,1,0,0,0,0|1,1,0]=4 1107 B10R1.61 FC(F)C1=C(Br)C=CC=C1 B67317 [1,1,0,0,0,0|1,0,0]=3 1108 B10R1.61 FC(F)C1=C(Br)C=CC=N1 B42218 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.61 FC(F)C1=CC=CN=C1Br B42217 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.61 N=C(N)C1=C(F)C=CC=C1 F46532 [1,1,0,0,0,0|0,1,1]=4 1111 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [1,1,0,0,0,0|0,0,1]=3 1112 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 B42449 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [1,1,0,0,0,0|0,1,1]=4 1114 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.61 OB(O)C1=C(Br)C=CC=C1 B42940 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.245 CC1=CC=CC(Br)=C1C#N B47947 [1,1,0,0,0,0|0,0,2]=4 1118 B10R1.245 CC1=CC=CC(Br)=C1C=O B62059 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.245 CC1=CC=CC(C)=C1CBr B38662 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.245 CC1=CC=CC(C)=C1CCl C49970 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.245 CC1=CC=CC(C)=C1CN D38617 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.245 CC1=CC=CC(C)=C1CO D50274 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.245 CC1=CC=CC(C)=C1NN D49536 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.245 CC1=CC=CC(F)=C1CO F49464 [1,1,0,0,0,0|1,1,0]=4 1125 B10R1.245 CC1=CC=CC(O)=C1CO H46831 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.245 CCC1=C(Br)C=NC=C1F B45774 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.245 CNC1=C(Br)C=CC=C1N B46289 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.245 CNC1=C(F)C=CC=C1F D46547 [1,1,0,0,0,0|1,1,0]=4 1129 B10R1.245 COC1=C(Br)C=CC=C1Br D45550 [1,1,0,0,0,0|1,0,0]=3 1130 B10R1.245 COC1=C(Br)C=CC=C1Cl B45560 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.245 COC1=C(Br)C=CC=C1F B45573 [1,1,0,0,0,0|1,0,0]=3 1132 B10R1.245 COC1=C(Br)C=CC=C1N B46153 [1,1,0,0,0,0|1,0,0]=3 1133 B10R1.245 COC1=C(Br)C=CC=C1O B61272 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.245 COC1=C(Br)C=NC=C1Br D42634 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.245 COC1=C(Cl)C=CC=C1F C45593 [1,1,0,0,0,0|1,1,0]=4 1136 B10R1.245 COC1=C(Cl)C=CC=C1N C46187 [1,1,0,0,0,0|1,1,0]=4 1137 B10R1.245 COC1=C(F)C=CC=C1N F38584 [1,1,0,0,0,0|1,1,0]=4 1138 B10R1.245 ClC1=CC=CC(Br)=C1CBr B44689 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.245 ClC1=CC=CC(Cl)=C1CBr D22237 [1,1,0,0,0,0|1,1,0]=4 1140 B10R1.245 FC1=CC=CC(Cl)=C1CBr B44716 [1,1,0,0,0,0|1,1,0]=4 1141 B10R1.245 FC1=CC=CC(I)=C1CBr B44728 [1,1,0,0,0,0|1,1,0]=4 1142 B10R1.245 FC1=CN=CC(Br)=C1CCl B42206 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.245 N#CC1=C(Br)C=CC=C1Br D38725 [1,1,0,0,0,0|0,0,2]=4 1144 B10R1.245 N#CC1=C(Br)C=CC=C1Cl B44092 [1,1,0,0,0,0|0,0,2]=4 1145 B10R1.245 N#CC1=C(Br)C=CC=C1F B44106 [1,1,0,0,0,0|0,0,2]=4 1146 B10R1.245 N#CC1=C(Br)C=CC=C1N A44737 [1,1,0,0,0,0|0,0,2]=4 1147 B10R1.245 N#CC1=C(I)C=CC=C1Br B44113 [1,1,0,0,0,0|0,0,2]=4 1148 B10R1.245 NC1=CC=CC(Br)=C1C=O A13184 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.245 NC1=CC=CC(Cl)=C1CO A46197 [1,1,0,0,0,0|1,1,0]=4 1150 B10R1.245 NC1=CC=CC(F)=C1CO A46216 [1,1,0,0,0,0|1,1,0]=4 1151 B10R1.245 NCC1=C(Br)C=CC=C1Br D45759 [1,1,0,0,0,0|0,0,0]=2 1152 B10R1.245 NCC1=C(Cl)C=CC=C1Cl D45794 [1,1,0,0,0,0|0,1,0]=3 1153 B10R1.245 NCC1=C(Cl)C=NC=C1Cl D42752 [1,1,0,0,0,0|1,1,0]=4 1154 B10R1.245 NCC1=C(F)C=CC=C1F D45807 [1,1,0,0,0,0|0,1,0]=3 1155 B10R1.245 NNC1=C(Br)C=CC=C1F B42738 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.245 NNC1=C(Cl)C=CC=C1Cl D42753 [1,1,0,0,0,0|1,1,0]=4 1157 B10R1.245 NNC1=C(Cl)C=CC=C1F C42762 [1,1,0,0,0,0|1,1,0]=4 1158 B10R1.245 NNC1=C(F)C=CC=C1F D42765 [1,1,0,0,0,0|1,1,0]=4 1159 B10R1.245 NNC1=C(F)C=CC=C1F D69479 [1,1,0,0,0,0|1,1,0]=4 1160 B10R1.245 O=CC1=C(Br)C=CC=C1Br D36972 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.245 O=CC1=C(Br)C=CC=C1Cl B44636 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.245 O=CC1=C(Br)C=CC=C1F B38461 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.245 O=CC1=C(Br)C=CC=C1O B45083 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.245 OCC1=C(Br)C=CC=C1Br D45546 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.245 OCC1=C(Br)C=CC=C1F B45569 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.245 OCC1=C(Br)C=NC=C1Cl B42650 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.245 OCC1=C(Cl)C=CC=C1Cl D45590 [1,1,0,0,0,0|1,1,0]=4 1168 B10R1.245 OCC1=C(F)C=CC=C1F D39395 [1,1,0,0,0,0|1,1,0]=4 1169 B10R1.29 CCCCC1=C(Br)SC=C1 B46858 [0,1,0,0,1,0|2,0,0]=4 1170 B10R1.187 NCCN1C(=O)C=CC1=O A46630 [0,1,0,0,1,0|2,0,0]=4 1171 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO A52157 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.24 CC1=C(F)C=CC=C1[C@H](N)CO A52158 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.24 N[C@H](CO)C1=CC=CC(Cl)=C1F A49370 [0,2,0,0,0,0|1,1,0]=4 1174 B12R1.224 FC1=C(Br)C(OC(F)F)=CC=C1 B44655 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br B48141 [0,2,0,0,0,0|1,0,1]=4 1176 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 A65990 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 B50126 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 D47003 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 D49670 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.121 COC1=C(OCCBr)C=CC=C1 B50122 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.121 COC1=C(OCCN)C=CC=C1 M39585 [0,2,0,0,0,0|1,0,0]=3 1185 B12R1.121 COC1=C(OCCN)C=CC=C1 M50361 [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,2,0,0,0,0|1,0,0]=3 1188 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,2,0,0,0,0|1,1,0]=4 1189 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,2,0,0,0,0|1,1,0]=4 1190 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,2,0,0,0,0|1,1,0]=4 1191 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [0,2,0,0,0,0|1,0,0]=3 1193 B12R1.267 FC1=C(OCCCBr)C=CC=C1 B61962 [0,2,0,0,0,0|1,1,0]=4 1194 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,2,0,0,0,0|1,0,1]=4 1196 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [0,2,0,0,0,0|1,1,0]=4 1197 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,2,0,0,0,0|1,0,1]=4 1198 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,2,0,0,0,0|0,1,0]=3 1199 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 B50254 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 C50261 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,2,0,0,0,0|1,0,1]=4 1202 B12R1.75 FC(F)OC1=C(CBr)C=CC=C1 B48722 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 A52119 [0,2,0,0,0,0|1,0,1]=4 1204 B12R1.77 COC1=C([C@H](N)CO)C=CC=C1 A52183 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 A64045 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 N49305 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 B51877 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [0,2,0,0,0,0|1,0,1]=4 1209 B12R1.233 C[C@H](O)CC1=C(F)C=C(F)C=C1 D37207 [0,2,0,0,0,0|1,1,0]=4 1210 B12R1.233 FC(F)OC1=C(Br)C=C(Cl)C=C1 B44643 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.233 FC1=CC(Br)=C(OC(F)F)C=C1 B44656 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 D48117 [0,2,0,0,0,0|1,0,1]=4 1213 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 B48126 [0,2,0,0,0,0|1,0,1]=4 1214 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 B48142 [0,2,0,0,0,0|1,0,1]=4 1215 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 M54948 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.1095 FC1=CC(F)=C(CCBr)C(F)=C1 B18254 [0,2,0,0,0,0|1,1,0]=4 1217 B12R1.1123 FC1=CC(F)=C(CCBr)C=C1F B18244 [0,2,0,0,0,0|1,1,0]=4 1218 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 D55527 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 A49365 [0,2,0,0,0,0|1,1,0]=4 1220 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 A49368 [0,2,0,0,0,0|1,1,0]=4 1221 B12R1.127 FC1=CC(OC(F)F)=C(Br)C=C1 B44654 [0,2,0,0,0,0|2,0,0]=4 1222 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 D22214 [0,2,0,0,0,0|1,0,1]=4 1223 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 B48127 [0,2,0,0,0,0|1,0,1]=4 1224 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 B48137 [0,2,0,0,0,0|1,0,1]=4 1225 B12R1.151 CS(=O)(=O)CC1=C(Br)C=CC=C1 B49383 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.151 FC(F)(F)CC1=C(Br)C=CC=N1 B60372 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.151 FC(F)(F)OC1=C(Br)C=CC=C1 B44653 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br D48118 [0,2,0,0,0,0|1,0,1]=4 1229 B12R1.270 CCOC1=C(Br)C=CC(C=O)=C1 B51879 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 B51517 [0,2,0,0,0,0|0,0,2]=4 1231 B12R1.270 COC1=CC(CCO)=C(Br)C=C1 B50123 [0,2,0,0,0,0|1,0,0]=3 1232 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 D52098 [0,2,0,0,0,0|1,1,0]=4 1233 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 C37554 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.354 N[C@H](CO)C1=C(F)C=CC(F)=C1 A49652 [0,2,0,0,0,0|1,1,0]=4 1235 B12R1.195 CC(C)(C#N)C1=C(Br)C=CC=C1 B52355 [0,2,0,0,0,0|0,0,2]=4 1236 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|1,0,0]=3 1237 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|1,0,0]=3 1238 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|2,0,0]=4 1239 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|1,0,1]=4 1240 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,1,0,0|1,0,1]=4 1241 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [1,0,0,1,0,0|2,0,0]=4 1242 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|1,0,0]=3 1243 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|2,0,0]=4 1244 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|2,0,0]=4 1245 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|1,0,0]=3 1246 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|1,0,0]=3 1247 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|2,0,0]=4 1248 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|1,0,0]=3 1249 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|1,0,0]=3 1250 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 1251 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|1,0,1]=4 1252 B12R2.82 CC1=C(Br)C2=C(C=C1)NC=C2 B24516 [0,1,0,1,0,0|0,0,2]=4 1253 B12R2.82 CC1=C(Br)C2=C(C=C1)NN=C2 B5700 [0,1,0,1,0,0|1,0,1]=4 1254 B12R2.82 ClC1=C(Br)C2=C(C=C1)NN=C2 B16305 [0,1,0,1,0,0|1,0,1]=4 1255 B12R2.82 FC1=C(Br)C2=C(C=C1)NC=C2 B47667 [0,1,0,1,0,0|0,0,2]=4 1256 B12R2.82 FC1=C(Br)C=CC2=C1CCN2 B48425 [0,1,0,1,0,0|0,1,0]=3 1257 B12R2.82 NC1=C(Br)C2=C(C=C1)NC=N2 B45272 [0,1,0,1,0,0|1,0,1]=4 1258 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 B24528 [0,1,0,1,0,0|0,0,2]=4 1259 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [0,1,0,1,0,0|1,0,1]=4 1260 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [0,1,0,1,0,0|1,0,1]=4 1261 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B48311 [0,1,0,1,0,0|1,0,1]=4 1262 B12R2.202 NC1=CC2=C(Br)C=CC=C2S1 A12712 [0,1,0,1,0,0|0,0,2]=4 1263 B12R2.202 NC1=CC2=CC=CC(Br)=C2S1 A10456 [0,1,0,1,0,0|1,0,1]=4 1264 B12R2.202 NC1=NC2=C(Br)C=CC=C2N1 B32443 [0,1,0,1,0,0|1,0,1]=4 1265 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 B44825 [0,1,0,1,0,0|1,0,1]=4 1266 B12R2.202 NC1=NC2=C(Br)C=CC=C2S1 B44762 [0,1,0,1,0,0|1,0,1]=4 1267 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 B44827 [0,1,0,1,0,0|1,0,1]=4 1268 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [0,1,0,1,0,0|0,0,1]=3 1269 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 B16473 [0,1,0,1,0,0|1,0,1]=4 1270 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 B37615 [0,1,0,1,0,0|1,0,1]=4 1271 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,1,0,1,0,0|1,0,1]=4 1272 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [0,1,0,1,0,0|0,1,1]=4 1273 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [0,1,0,1,0,0|0,1,1]=4 1274 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [0,1,0,1,0,0|1,0,1]=4 1275 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [0,1,0,1,0,0|1,0,1]=4 1276 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [0,1,0,1,0,0|1,0,1]=4 1277 B12R2.202 O[C@H]1CC2=CC=CC(Br)=C2C1 B18025 [0,1,0,1,0,0|1,0,0]=3 1278 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,1,0,1,0,0|1,0,0]=3 1279 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,1,0,1,0,0|0,0,0]=2 1280 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,1,0,1,0,0|0,0,0]=2 1281 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,1,0,1,0,0|1,0,0]=3 1282 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [0,1,0,1,0,0|0,0,0]=2 1283 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [0,1,0,1,0,0|0,0,0]=2 1284 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [0,1,0,1,0,0|1,0,0]=3 1285 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [0,1,0,1,0,0|1,0,0]=3 1286 B12R2.1081 BrC1=C2CNCCC2=CN=C1 B59994 [0,1,0,1,0,0|2,0,0]=4 1287 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,1,0,1,0,0|1,0,0]=3 1288 B12R2.1081 BrC1=C2NCCCC2=CN=C1 B8071 [0,1,0,1,0,0|2,0,0]=4 1289 B12R2.1081 BrC1=C2NCCOC2=CC=C1 B49028 [0,1,0,1,0,0|1,0,0]=3 1290 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,1,0,1,0,0|1,0,0]=3 1291 B12R2.1081 BrC1=C2OCCNC2=CC=C1 B49031 [0,1,0,1,0,0|0,0,0]=2 1292 B12R2.1081 BrC1=NC=CC2=C1CCCC2 B23969 [0,1,0,1,0,0|2,0,0]=4 1293 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,1,0,1,0,0|1,0,0]=3 1294 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,1,0,1,0,0|2,0,0]=4 1295 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|1,0,0]=3 1296 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|1,0,0]=3 1297 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|2,0,0]=4 1298 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|2,0,0]=4 1299 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|1,0,0]=3 1300 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,1,0,1,0,0|0,1,0]=3 1301 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [0,1,0,1,0,0|1,0,0]=3 1302 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [0,1,0,1,0,0|1,0,0]=3 1303 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,1,0,1,0,0|1,1,0]=4 1304 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,1,0,1,0,0|0,1,0]=3 1305 B12R2.1081 FC1=C2OCCNC2=CC=C1 F49054 [0,1,0,1,0,0|0,1,0]=3 1306 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [0,1,0,1,0,0|1,0,0]=3 1307 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [0,1,0,1,0,0|1,0,0]=3 1308 B12R2.1081 NC1=CC=CC2=C1OCCO2 D3222 [0,1,0,1,0,0|2,0,0]=4 1309 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,1,0,0|2,0,0]=4 1310 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,1,0,0|2,0,0]=4 1311 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,1,0,0|2,0,0]=4 1312 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,1,0,0|2,0,0]=4 1313 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,1,0,1,0,0|2,0,0]=4 1314 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,1,0,0|2,0,0]=4 1315 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,1,0,0|2,0,0]=4 1316 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,1,0,0|2,0,0]=4 1317 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,1,0,1,0,0|1,0,0]=3 1318 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,1,0,0|2,0,0]=4 1319 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,1,0,0|2,0,0]=4 1320 B12R2.1081 O=C1NC=CC2=C1CCNC2 T4210 [0,1,0,1,0,0|2,0,0]=4 1321 B12R2.1081 O=C1NC=CC2=C1CCNC2 T49494 [0,1,0,1,0,0|2,0,0]=4 1322 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,1,0,1,0,0|1,0,0]=3 1323 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [0,1,0,1,0,0|2,0,0]=4 1324 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [0,1,0,1,0,0|2,0,0]=4 1325 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [0,1,0,1,0,0|2,0,0]=4 1326 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,1,0,1,0,0|2,0,0]=4 1327 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,1,0,1,0,0|2,0,0]=4 1328 B12R2.1081 OC1=CC=CC2=C1OCCO2 D49104 [0,1,0,1,0,0|2,0,0]=4 1329 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,1,0,0|2,0,0]=4 1330 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,1,0,1,0,0|2,0,0]=4 1331 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,1,0,0|2,0,0]=4 1332 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,1,0,1,0,0|2,0,0]=4 1333 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,1,0,1,0,0|2,0,0]=4 1334 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,1,0,0|2,0,0]=4 1335 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [0,1,0,1,0,0|1,0,0]=3 1336 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [0,1,0,1,0,0|1,0,0]=3 1337 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [0,1,0,1,0,0|2,0,0]=4 1338 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [0,1,0,1,0,0|1,0,0]=3 1339 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [0,1,0,1,0,0|1,0,0]=3 1340 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,1,0,1,0,0|2,0,0]=4 1341 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,1,0,0|2,0,0]=4 1342 B12R2.24 BrC1=CN=C2CCNCC2=C1 B4035 [0,1,0,1,0,0|2,0,0]=4 1343 B12R2.24 BrC1=CN=C2CCNCC2=C1 B5101 [0,1,0,1,0,0|2,0,0]=4 1344 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [0,1,0,1,0,0|2,0,0]=4 1345 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [0,1,0,1,0,0|2,0,0]=4 1346 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|2,0,0]=4 1347 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,1,0,1,0,0|1,0,0]=3 1348 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,1,0,1,0,0|1,0,0]=3 1349 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,1,0,1,0,0|2,0,0]=4 1350 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,1,0,1,0,0|2,0,0]=4 1351 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,1,0,1,0,0|2,0,0]=4 1352 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,1,0,1,0,0|2,0,0]=4 1353 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 C51457 [0,1,0,1,0,0|1,0,1]=4 1354 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [0,1,0,1,0,0|1,0,0]=3 1355 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [0,1,0,1,0,0|1,0,0]=3 1356 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [0,1,0,1,0,0|1,0,0]=3 1357 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,1,0,1,0,0|2,0,0]=4 1358 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [0,1,0,1,0,0|2,0,0]=4 1359 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [0,1,0,1,0,0|2,0,0]=4 1360 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [0,1,0,1,0,0|1,0,0]=3 1361 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,1,0,1,0,0|2,0,0]=4 1362 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,1,0,1,0,0|2,0,0]=4 1363 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,1,0,1,0,0|2,0,0]=4 1364 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [0,1,0,1,0,0|1,0,0]=3 1365 B12R2.24 NC1=CN=C2CCNCC2=C1 T49518 [0,1,0,1,0,0|2,0,0]=4 1366 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,1,0,1,0,0|1,0,0]=3 1367 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,1,0,1,0,0|1,0,0]=3 1368 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,1,0,1,0,0|1,0,0]=3 1369 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,1,0,1,0,0|1,0,0]=3 1370 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,1,0,1,0,0|2,0,0]=4 1371 B12R2.24 O=C1C=CC2=C(CCNC2)N1 T39057 [0,1,0,1,0,0|2,0,0]=4 1372 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,1,0,1,0,0|2,0,0]=4 1373 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,1,0,0|2,0,0]=4 1374 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,1,0,1,0,0|2,0,0]=4 1375 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [0,1,0,1,0,0|1,0,0]=3 1376 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [0,1,0,1,0,0|1,0,0]=3 1377 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,1,0,1,0,0|2,0,0]=4 1378 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [0,1,0,1,0,0|2,0,0]=4 1379 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,1,0,1,0,0|2,0,0]=4 1380 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,1,0,1,0,0|2,0,0]=4 1381 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,1,0,1,0,0|2,0,0]=4 1382 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,1,0,1,0,0|1,0,0]=3 1383 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [0,1,0,1,0,0|1,0,1]=4 1384 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49625 [0,1,0,1,0,0|1,0,1]=4 1385 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49689 [0,1,0,1,0,0|1,0,1]=4 1386 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B9950 [0,1,0,1,0,0|1,0,1]=4 1387 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,1,0,0|2,0,0]=4 1388 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|2,0,0]=4 1389 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,1,0,0|2,0,0]=4 1390 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,1,0,1,0,0|1,0,0]=3 1391 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [0,1,0,1,0,0|0,0,2]=4 1392 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 B37518 [0,1,0,1,0,0|1,0,1]=4 1393 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 B2911 [0,1,0,1,0,0|1,0,1]=4 1394 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,1,0,0|2,0,0]=4 1395 B12R2.196 NC1=NNC2=C(Br)C=CC=C12 B17856 [0,1,0,1,0,0|1,0,1]=4 1396 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 B44829 [0,1,0,1,0,0|1,0,1]=4 1397 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,1,0,1,0,0|0,0,0]=2 1398 B12R2.196 N[C@@H]1COC2=C(Cl)C=CC=C21 C49047 [0,1,0,1,0,0|0,1,0]=3 1399 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,1,0,1,0,0|0,0,0]=2 1400 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,1,0,1,0,0|0,0,0]=2 1401 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,1,0,1,0,0|0,0,0]=2 1402 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,1,0,1,0,0|0,1,0]=3 1403 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,1,0,1,0,0|0,1,0]=3 1404 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,1,0,1,0,0|0,1,0]=3 1405 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,1,0,0|1,0,0]=3 1406 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,1,0,0|1,1,0]=4 1407 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,1,0,0|1,1,0]=4 1408 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,1,0,0|2,0,0]=4 1409 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,1,0,1,0,0|1,0,1]=4 1410 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 B14058 [0,1,0,1,0,0|1,0,1]=4 1411 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 B47767 [0,1,0,1,0,0|1,0,1]=4 1412 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [0,1,0,1,0,0|1,0,1]=4 1413 B12R2.1 NCC1=NNC2=C1C=CC=C2 I14709 [0,1,0,1,0,0|1,0,1]=4 1414 B12R2.1 NCC1=NNC2=C1C=CC=C2 K49688 [0,1,0,1,0,0|1,0,1]=4 1415 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|2,0,0]=4 1416 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,1,0,0|2,0,0]=4 1417 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,1,0,0|2,0,0]=4 1418 B12R2.315 BrCC1=C2OCOC2=CC=C1 B48583 [0,1,0,1,0,0|2,0,0]=4 1419 B12R2.315 C#CC1=C2CCCC2=CC=C1 E64381 [0,1,0,1,0,0|2,0,0]=4 1420 B12R2.315 C=CC1=CC=CC2=C1CCO2 V52413 [0,1,0,1,0,0|2,0,0]=4 1421 B12R2.315 O=CC1=C2CCOC2=CC=C1 D3694 [0,1,0,1,0,0|2,0,0]=4 1422 B12R2.315 OCC1=C2CCNC2=CC=C1 K50018 [0,1,0,1,0,0|1,0,0]=3 1423 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 C17017 [0,1,0,1,0,0|2,0,0]=4 1424 B12R2.2048 OCC1=C(C2CC2)C=CC=C1 C32417 [0,1,0,1,0,0|2,0,0]=4 1425 B12R2.246 BrC1=C2C=NNC2=CC(I)=C1 B44318 [0,1,0,1,0,0|1,0,1]=4 1426 B12R2.246 BrC1=CC(Br)=C2C=CNC2=C1 D27015 [0,1,0,1,0,0|0,0,2]=4 1427 B12R2.246 CC1=CC(Br)=C2C=CNC2=C1 B26131 [0,1,0,1,0,0|0,0,2]=4 1428 B12R2.246 ClC1=CC(Br)=C2C=CNC2=C1 B26118 [0,1,0,1,0,0|0,0,2]=4 1429 B12R2.246 ClC1=CC(Br)=C2C=NNC2=C1 B13304 [0,1,0,1,0,0|1,0,1]=4 1430 B12R2.246 ClC1=CC(Br)=C2N=CNC2=C1 B67207 [0,1,0,1,0,0|1,0,1]=4 1431 B12R2.246 ClC1=CC(Cl)=C2CCNC2=C1 D48430 [0,1,0,1,0,0|0,1,0]=3 1432 B12R2.246 FC1=CC(Br)=C2C=CNC2=C1 B26142 [0,1,0,1,0,0|0,0,2]=4 1433 B12R2.246 FC1=CC(Br)=C2C=NNC2=C1 B15614 [0,1,0,1,0,0|1,0,1]=4 1434 B12R2.246 FC1=CC(F)=C2CCNC2=C1 D49603 [0,1,0,1,0,0|0,1,0]=3 1435 B12R2.246 NC1=CC(Br)=C2C=NNC2=C1 A15126 [0,1,0,1,0,0|1,0,1]=4 1436 B12R2.246 OC1=CC(Br)=C2C=NNC2=C1 B15133 [0,1,0,1,0,0|1,0,1]=4 1437 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 F38745 [0,1,0,1,0,0|2,0,0]=4 1438 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 B67543 [0,1,0,1,0,0|1,0,0]=3 1439 B12R2.606 N[C@H]1CC2=CC(Br)=CN=C2C1 B62941 [0,1,0,1,0,0|2,0,0]=4 1440 B12R2.606 O[C@H]1CC2=C(C=C(Br)C=C2)C1 B52018 [0,1,0,1,0,0|2,0,0]=4 1441 B12R2.221 CC1=C2NC=CC2=C(Br)C=C1 B51446 [0,1,0,1,0,0|0,0,2]=4 1442 B12R2.221 ClC1=C2NN=CC2=C(Br)C=C1 B17041 [0,1,0,1,0,0|1,0,1]=4 1443 B12R2.221 FC1=C2NC=CC2=C(Br)C=C1 B47668 [0,1,0,1,0,0|0,0,2]=4 1444 B12R2.221 NC1=C2NN=CC2=C(Br)C=C1 A11784 [0,1,0,1,0,0|1,0,1]=4 1445 B12R2.203 BrC1=C2C(=CC=C1)NN=C2I B12522 [0,1,0,1,0,0|1,0,1]=4 1446 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 B23812 [0,1,0,1,0,0|0,0,2]=4 1447 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 B1857 [0,1,0,1,0,0|1,0,1]=4 1448 B12R2.203 ClC1=NNC2=CC=CC(Br)=C21 B12792 [0,1,0,1,0,0|1,0,1]=4 1449 B12R2.203 NC1=NNC2=CC=CC(Br)=C21 A10487 [0,1,0,1,0,0|1,0,1]=4 1450 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,1,0,1,0,0|1,0,0]=3 1451 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,1,0,1,0,0|1,0,0]=3 1452 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,1,0,1,0,0|1,1,0]=4 1453 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,1,0,0|1,0,1]=4 1454 B12R2.203 OC1=NNC2=CC=CC(Br)=C21 B15307 [0,1,0,1,0,0|1,0,1]=4 1455 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,1,0,1,0,0|1,0,0]=3 1456 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 B63765 [0,1,0,1,0,0|1,0,0]=3 1457 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|2,0,0]=4 1458 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,1,0|1,0,0]=3 1459 B8R1.8 NCCC1=CN=CS1 T41396 [1,0,0,0,1,0|2,0,0]=4 1460 B8R1.8 NCCC1=CSC=C1 T1049 [1,0,0,0,1,0|1,0,0]=3 1461 B8R1.8 NCCC1=CSC=C1 T10491 [1,0,0,0,1,0|1,0,0]=3 1462 B8R1.8 NCCC1=NC=CN1 K41400 [1,0,0,0,1,0|2,0,0]=4 1463 B8R1.8 NCCN1C=CC=C1 P41427 [1,0,0,0,1,0|1,0,0]=3 1464 B8R1.8 NCCN1C=CN=C1 K41369 [1,0,0,0,1,0|2,0,0]=4 1465 B8R1.8 NCCN1C=CN=C1 K41399 [1,0,0,0,1,0|2,0,0]=4 1466 B8R1.8 NNCC1=CC=CS1 H13973 [1,0,0,0,1,0|2,0,0]=4 1467 B8R1.8 NNCC1=CSC=C1 H13972 [1,0,0,0,1,0|2,0,0]=4 1468 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|2,0,0]=4 1469 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|2,0,0]=4 1470 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [1,0,0,0,1,0|2,0,0]=4 1471 B8R1.11 CN1C=CC=C1CN M41429 [1,0,0,0,1,0|2,0,0]=4 1472 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,0,0,0,1,0|1,1,0]=4 1473 B8R1.11 OCC1=C(Br)C=CS1 B14083 [1,0,0,0,1,0|2,0,0]=4 1474 B8R1.11 OCC1=C(Br)SC=C1 B41017 [1,0,0,0,1,0|2,0,0]=4