0 B7R0.1 CCCCCCC=O C14390 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCCCOC=O C21713 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.6 CCC\C=C\C=O C08497 [1,0,0,0,0,0|0,0,1]=2 3 B6R0.6 CC\C=C/CC=O C16310 [1,0,0,0,0,0|0,0,1]=2 4 B6R0.6 CC\C=C/CCO C08492 [1,0,0,0,0,0|0,0,3]=4 5 B6R0.6 C\C=C\C=C\C=O C19249 [1,0,0,0,0,0|0,0,0]=1 6 B8R0.4 CCCCC\C=C\C=O C21138 [0,1,0,0,0,0|0,0,2]=3 7 B8R0.6 [*]SC(=O)\C=C\CCC C05748 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.2 C=CC1=CC=CC=C1 C07083 [0,0,0,1,0,0|1,0,2]=4 9 B8R1.2 C=CC1=CC=CC=C1 C19506 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.2 C=CC1=CC=CC=C1 C19573 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.2 C=CC1=CC=CC=C1 C19575 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.2 C=CC1CC=CCC1 C19310 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.2 CCC1=CC=CC=C1 C07111 [0,0,0,1,0,0|1,0,0]=2 14 B8R1.2 CNC1=CC=CC=C1 C02299 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.2 COC1=CC=CC=C1 C01403 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 ClCC1=CC=CC=C1 C19167 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.2 N#CC1=CC=CC=C1 C09814 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 N#CC1=CC=CC=N1 C02221 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 NCC1=CC=CC=C1 C15562 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 NCC1=CC=CC=N1 C17926 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.2 NNC1=CC=CC=C1 C02304 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 O=CC1=CC=CC=C1 C00193 [0,0,0,1,0,0|0,0,2]=3 24 B8R1.2 O=CC1=CC=CC=C1 C00261 [0,0,0,1,0,0|0,0,2]=3 25 B8R1.2 O=CC1=CN=CC=C1 C07327 [0,0,0,1,0,0|1,0,1]=3 26 B8R1.2 O=NC1=CC=CC=C1 C06876 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.2 OCC1=CC=CC=C1 C00556 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.2 OCC1=CC=CC=C1 C03485 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.2 ONC1=CC=CC=C1 C02720 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.5 CC1=C(C)C=CC=C1 C07212 [0,0,0,1,0,0|1,0,1]=3 31 B8R1.5 CC1=C(N)C=CC=C1 C14403 [0,0,0,1,0,0|1,0,1]=3 32 B8R1.5 CC1=CC=CC=C1O C01542 [0,0,0,1,0,0|0,0,2]=3 33 B8R1.5 ClC1=C(Cl)C=CC=C1 C14328 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.5 ClC1C=CC=CC1Cl C11352 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 N=C1C=CC=CC1=O C17500 [0,0,0,1,0,0|1,0,1]=3 36 B8R1.5 NC1=C(F)C=CC=C1 C11010 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 NC1=C(N)C=CC=C1 C14402 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.5 NC1=CC=CC=C1O C01987 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.5 O=C1C=CC=CC1=O C02351 [0,0,0,1,0,0|1,0,1]=3 40 B8R1.5 O=C1C=CNC=C1O C03927 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.5 OC1=C(O)C=CC=C1 C01785 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.5 OC1=CC=CC=C1Cl C14219 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.5 OC1=CC=CC=C1I C01874 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.5 OC1=CC=CC=C1O C00090 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.5 OC1=CC=CC=C1O C15571 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.5 O[C@@H]1C=CC=C[C@H]1O C04221 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.5 O[C@H]1C=CC=C[C@H]1O C04091 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.5 [O-]N1C=CC=CC1=S C13427 [0,0,0,1,0,0|2,1,0]=4 50 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [0,0,0,1,0,0|1,0,2]=4 51 B9R0.4 CCCC\C(Br)=C\C(=O)O C13793 [0,2,0,0,0,0|0,0,2]=4 52 B9R0.18 CC(\C=C\C=O)=C/C=C/O C20694 [0,2,0,0,0,0|0,0,2]=4 53 B9R0.48 O=C\C=C(O)/C=C\C(=O)O C06603 [0,2,0,0,0,0|1,0,1]=4 54 B9R0.2 CC\C=C/CCOC(C)=O C19757 [0,2,0,0,0,0|0,0,2]=4 55 B9R0.45 CC\C=C/CC\C=C\C=O C08499 [0,2,0,0,0,0|0,0,0]=2 56 B9R0.45 CC\C=C/C\C=C/CC=O C16323 [0,2,0,0,0,0|0,0,0]=2 57 B9R0.46 C\C(=C/C=C/CC=O)CO C18011 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.1 CC(=O)\C=C\C=C(/C)C=O C11480 [0,2,0,0,0,0|0,0,1]=3 59 B9R0.47 N\C(=C\C=C/C=O)C(=O)O C03824 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.47 O=C\C=C/C=C(/O)C(=O)O C00682 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.55 O=C(O)\C=C/C=C/C(=O)O C03647 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.55 O=C(O)\C=C/C=C\C(=O)O C02480 [0,2,0,0,0,0|1,0,1]=4 63 B7R1.1 O=CC1=CC=CO1 C14279 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.1 OCC1=CC=CO1 C20441 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.3 BrC1=CC=CC=C1 C11036 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.3 CC1=CC=CC=C1 C01455 [1,0,0,1,0,0|0,0,1]=3 67 B7R1.3 CC1=NC=CC=C1 C14447 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 C[N+]1=CC=CC=C1 C02724 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.3 ClC1=CC=CC=C1 C06990 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 FC1=CC=CC=C1 C11272 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 NC1=CC=CC=C1 C00292 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 O=C1C=CCCC1 C02395 [1,0,0,1,0,0|0,0,1]=3 73 B7R1.3 OC1=CC=CC=C1 C00146 [1,0,0,1,0,0|0,0,2]=4 74 B7R1.3 OC1=CC=CC=C1 C15584 [1,0,0,1,0,0|0,0,2]=4 75 B7R1.3 OC1=CC=CC=N1 C02502 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.3 [*]C1=CC=CC=C1 C03122 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.3 [Hg+]C1=CC=CC=C1 C01783 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.2 CC1=CC=CC(C=O)=C1 C07209 [0,1,0,1,0,0|0,0,1]=3 79 B9R1.2 CC1=CC=CC(CO)=C1 C07216 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.2 CCC1=CC(O)=CC=C1 C14386 [0,1,0,1,0,0|0,0,1]=3 81 B9R1.2 CCC1=CC=CC(C)=C1 C14522 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.2 O=CC1=CC=CC(O)=C1 C03067 [0,1,0,1,0,0|0,0,2]=4 83 B9R1.2 OCC1=CC=CC(O)=C1 C03351 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.8 CCNC1=CC=CC=C1 C14455 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.8 N#CCC1=CC=CC=C1 C16074 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.8 NCCC1=CC=CC=C1 C05332 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.8 O=CCC1=CC=CC=C1 C00601 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.8 OCCC1=CC=CC=C1 C05853 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [0,1,0,1,0,0|0,0,1]=3 90 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [0,1,0,1,0,0|0,0,2]=4 91 B9R1.15 CCC1=C(C)C=CC=C1 C14572 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.15 CCC1=CC=CC=C1O C14385 [0,1,0,1,0,0|0,0,1]=3 93 B9R1.15 COC1=C(N)C=CC=C1 C19191 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.15 COC1=CC=CC=C1I C03575 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.15 COC1=CC=CC=C1O C01502 [0,1,0,1,0,0|0,0,2]=4 96 B9R1.15 COC1=CC=CC=C1O C15572 [0,1,0,1,0,0|0,0,2]=4 97 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.15 OCC1=CC=CC=C1O C02323 [0,1,0,1,0,0|0,0,2]=4 99 B9R1.27 CCN1C(=O)C=CC1=O C02441 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.69 CC1=C(Cl)C=C(Cl)C=C1 C18300 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.69 CC1=C(Cl)C=CC(O)=C1 C14331 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.69 CC1=C(N)C=C(Cl)C=C1 C19366 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.69 CC1=C(N)C=C(N)C=C1 C14401 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.69 CC1=C(N)C=CC(Cl)=C1 C19169 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.69 CC1=C(N)C=CC(N)=C1 C19386 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.69 CC1=CC(C)=C(C)C=C1 C14533 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.69 CC1=CC(C)=C(N)C=C1 C11003 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.69 CC1=CC(C)=C(O)C=C1 C14582 [0,1,0,1,0,0|0,0,2]=4 109 B9R1.69 CC1=CC(Cl)=CC=C1O C03359 [0,1,0,1,0,0|0,0,2]=4 110 B9R1.69 CC1=CC(N)=C(C)C=C1 C18993 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.69 O=C1C=CC(=O)C(O)=C1 C07103 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.69 O=C1C=CC(Br)=CC1=O C14846 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.5 O=C1C=CC=CC=C1O C15474 [0,1,0,1,0,0|0,0,2]=4 114 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [0,1,0,1,0,0|0,0,2]=4 115 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.1 COC1=CC=C(N)C=C1 C19326 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.1 O=CC1=CC=C(Cl)C=C1 C06648 [0,1,0,1,0,0|0,0,2]=4 120 B9R1.1 O=CC1=CC=C(O)C=C1 C00633 [0,1,0,1,0,0|0,0,2]=4 121 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.3 CC1=CC=CC(C)=C1C C14518 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.3 CC1=CC=CC(C)=C1N C11004 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.3 CC1=CC=CC(O)=C1O C02923 [0,1,0,1,0,0|0,0,2]=4 125 B9R1.21 O=CC1=CC=C(C=O)O1 C20899 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.21 O=CC1=CC=C(CO)O1 C11101 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [0,1,0,1,0,0|0,0,2]=4 136 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [0,1,0,1,0,0|0,0,2]=4 140 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [0,1,0,1,0,0|0,0,2]=4 141 B9R1.6 O=C(O)C1=CCCCC1 C12101 [0,1,0,1,0,0|0,0,2]=4 142 B9R1.6 O=C(O)C1=CCNCC1 C13694 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [0,1,0,1,0,0|1,0,1]=4