0 B10R1.20 C#CC1=CC=CC=C1C#N M23150 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.20 C#CC1=CC=CC=C1C=O P38374 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 C#CC1=CC=CC=C1CO O27866 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.20 C#CC1=NC=CN=C1OC O29878 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.20 CCC1=CC=CC=C1C=O O31187 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.20 CCC1=CC=CC=C1CO Q67965 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.20 CNC1=CC=CC=C1CO P39027 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.20 COC1=C(C#N)C=CC=N1 P51322 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.20 COC1=C(C#N)C=CN=C1 Q57206 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.20 COC1=C(C=O)C=CN=C1 O33532 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.20 COC1=C(C=O)C=NC=C1 N24850 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.20 COC1=C(CBr)C=NC=C1 O29985 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.20 COC1=C(CN)C=CN=C1 L22476 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.20 COC1=C(CO)C=CN=C1 Q55507 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.20 COC1=C(CO)C=NC=C1 O31025 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.20 COC1=C(OC)C=NC=C1 O32932 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.20 COC1=CC=CC=C1CBr O30598 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.20 COC1=CC=CN=C1C#N P43322 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.20 COC1=CC=CN=C1CN O31525 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.20 COC1=CC=CN=C1NN O30128 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.20 COC1=CN=CN=C1C#N A-984 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.20 COC1=CN=CN=C1NN Q54678 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.20 COC1=NC=CC=C1C=O C-3519 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.20 COC1=NC=CC=C1CBr Q52676 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.20 COC1=NC=CC=C1CN G-5571 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.20 COC1=NC=CC=C1CO I-9302 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.20 N#CC1=C(C=O)C=NC=C1 Q56668 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.20 N#CC1=CC=CN=C1C=O Q54467 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.20 N#CC1=CN=CC=C1C=O Q60382 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.20 NCC1=CC=CC=C1CO O34255 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.15 C#CC1=C(C)C=NC=C1 Q54976 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.15 C#CC1=CC=CC=C1Br O27884 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.15 C#CC1=CC=CC=C1C O28000 [1,0,0,0,0,0|0,0,2]=3 33 B9R1.15 C#CC1=CC=CC=C1N L13529 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.15 C#CC1=CC=CC=C1O O30353 [1,0,0,0,0,0|0,0,2]=3 35 B9R1.15 C#CC1=NC=CC=C1C O31053 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 C(=O)C1=CC=CN=C1C C-2892 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 C=CC1=C(C)N=CC=C1 L14938 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.15 C=CC1=CC=CC=C1N O30540 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.15 C=CC1=CC=CN=C1Br O29963 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.15 CC1=C(C#N)C=CN=C1 L18073 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.15 CC1=C(C=O)N=CC=C1 G-5812 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.15 CC1=C(CBr)C=CC=N1 L22017 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.15 CC1=C(CCl)C=CN=C1 L18062 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.15 CC1=C(CN)C=CN=C1 O30239 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.15 CC1=C(CN)C=NC=C1 G-7930 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.15 CC1=C(CO)N=CC=C1 Q62329 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.15 CC1=CC=CN=C1CBr O30100 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.15 CC1=CC=CN=C1CN P40986 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.15 CC1=CN=CC=C1CO C-2894 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 CC1=NC=CC=C1C#N G-5742 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.15 CC1=NC=CC=C1CCl L13040 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.15 CC1=NC=CC=C1CN P37228 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.15 CC1=NC=CC=C1CO 10789 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.15 CC1=NC=NC=C1C=O Q60398 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 CCC1=C(Br)C=CN=C1 G-5778 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 CCC1=C(Br)C=CN=C1 L22190 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 CCC1=C(Br)C=CN=C1 Q52444 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.15 CCC1=C(Br)C=NC=C1 P44427 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 CCC1=CC=CN=C1N P38117 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 CNC1=NC=CC=C1F Q69363 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 CNC1=NC=CC=C1I N27017 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 CNC1=NC=CC=C1N M23208 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.15 COC1=C(Br)C=NC=C1 O30836 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 COC1=C(Cl)N=CN=C1 M15583 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 COC1=C(I)C=NC=C1 N24568 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.15 COC1=C(N)C=NC=C1 O31833 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 COC1=C(O)C=NC=C1 O30206 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 COC1=C(O)N=CN=C1 Q54677 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 COC1=CC=CN=C1Br Q70056 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 COC1=CC=CN=C1Cl Q67413 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 COC1=CC=CN=C1F Q67464 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.15 COC1=CC=CN=C1N Q67917 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 COC1=NC=CC=C1Br Q66368 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 COC1=NC=CC=C1Cl Q67093 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 COC1=NC=CC=C1O Q67611 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.15 COC1=NC=CN=C1N O30666 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 COC1=NC=NC=C1N O30116 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.15 COC1=NC=NC=C1N O31509 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 CSC1=C(Br)C=CN=C1 N25058 [1,0,0,0,0,0|2,1,0]=4 87 B9R1.15 CSC1=C(F)C=NC=C1 N26954 [1,0,0,0,0,0|2,1,0]=4 88 B9R1.15 CSC1=CC=CN=C1Cl N24208 [1,0,0,0,0,0|2,1,0]=4 89 B9R1.15 CSC1=CC=CN=C1F Q67766 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.15 CSC1=NC=CC=C1Cl N27821 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 NC1=CC=CC=C1CO G-7793 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.15 NCC1=C(O)C=CN=C1 Q62259 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.15 NCC1=CC=CC=C1Br P38336 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.15 NCC1=CC=CC=C1I P38307 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.15 O=CC1=NC=CC=C1Br O31907 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 O=CC1=NC=CC=C1Cl O31967 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 O=CC1=NC=CC=C1F Q66589 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 O=CC1=NC=CC=C1O L22205 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 OCC1=NC=CC=C1O P41369 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.37 C#CC1=CC(F)=CC=C1C=O P36277 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.37 C#CC1=CC=C(O)C=C1OC H-8968 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.37 CCC1=C(C#N)C=CC(Br)=C1 N26235 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.37 CCC1=C(C=O)C=CC(Br)=C1 N24420 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.37 CCC1=C(C=O)C=CC(C)=N1 Q60297 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.37 CCC1=C(CO)C=CC(Br)=C1 N25543 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 N25578 [0,1,0,0,0,0|0,0,2]=3 119 B11R1.37 CNC1=C(C=O)C=CC(C)=N1 Q60329 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.37 COC1=C(C#N)C=C(Br)C=N1 S70428 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.37 COC1=C(C#N)C=CC(Cl)=N1 Q62396 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.37 COC1=C(C=O)C=C(Br)C=N1 L14001 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.37 COC1=C(C=O)C=C(C)C=N1 Q60229 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.37 COC1=C(C=O)N=CC(C)=C1 Q60406 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.37 COC1=C(CN)C=C(N)C=C1 L20552 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.37 COC1=C(SC)C=C(Br)C=C1 N26499 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.37 COC1=CC(Br)=CC=C1CO P40595 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.37 COC1=CC(Br)=CN=C1C=O Q57230 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.37 COC1=CC(Br)=CN=C1OC N24787 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.37 COC1=CC(C)=CC=C1C=O Q67836 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.37 COC1=CC(C)=CC=C1CO O29222 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.37 COC1=CC(Cl)=CN=C1C#N L14287 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.37 COC1=CC(F)=CC=C1C=O Q67688 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.37 COC1=CC(F)=CC=C1CO N24144 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.37 COC1=CC(F)=CC=C1SC N25416 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.37 COC1=CC(O)=CC=C1C=O Q68147 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.37 COC1=CC=C(Br)C=C1CO Q67815 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.37 COC1=CC=C(Br)N=C1OC Q52797 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.37 COC1=CC=C(C)C=C1C=O Q67087 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.37 COC1=CC=C(C)C=C1CO Q67516 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.37 COC1=CC=C(Cl)C=C1CO N25307 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.37 COC1=CC=C(O)C=C1C=O N24958 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.37 COC1=CC=C(O)C=C1OC Q67095 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.37 COC1=CN=C(N)C=C1OC K12314 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.37 COC1=NC(Br)=CC=C1C#N Q53633 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.37 COC1=NC(Br)=CN=C1C=O Q65671 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.37 COC1=NC(Cl)=CC=C1C=O Q69995 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.37 COC1=NC=C(Br)C=C1CN G-5592 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.37 COC1=NC=C(Br)C=C1CO L14130 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.37 COC1=NC=C(Cl)C=C1C#N O31766 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.37 COC1=NC=C(Cl)C=C1C=O N25700 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.37 COC1=NC=C(Cl)C=C1CN O29517 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.37 COC1=NC=C(Cl)C=C1CN O30929 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.37 COC1=NC=C(Cl)C=C1CO N25986 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.37 COC1=NC=C(F)C=C1CO P44594 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.37 COC1=NC=C(N)C=C1C#N Q58325 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.37 CSC1=C(C=O)C=C(I)C=C1 N26603 [0,1,0,0,0,0|1,1,0]=3 158 B11R1.37 CSC1=CC(C)=CC=C1C=O N26779 [0,1,0,0,0,0|1,1,0]=3 159 B11R1.37 CSC1=CC=C(Cl)C=C1C=O N26845 [0,1,0,0,0,0|1,1,0]=3 160 B11R1.37 CSC1=CC=C(F)C=C1C=O N25310 [0,1,0,0,0,0|1,1,0]=3 161 B11R1.37 CSC1=CC=C(F)C=C1CO N25683 [0,1,0,0,0,0|1,1,1]=4 162 B11R1.37 CSC1=NC=C(C)C=C1C=O N26701 [0,1,0,0,0,0|2,1,0]=4 163 B11R1.41 CCCC1=C(C=O)C=CC=N1 Q60346 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.41 CCNC1=CC=CC=C1OC P41015 [0,1,0,0,0,0|0,0,2]=3 165 B11R1.41 CCOC1=C(CN)C=CN=C1 O29365 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.41 CCOC1=CC=CN=C1CN L20401 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.41 CCOC1=NC=CC=C1C=O Q66660 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.41 CCOC1=NC=CC=C1CN P35788 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.41 CCOC1=NC=CC=C1CO N25515 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.41 CNCC1=CC=CC=C1OC P36594 [0,1,0,0,0,0|0,0,2]=3 171 B11R1.41 COC1=CC=CC=C1CCBr O28117 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.41 COC1=CC=CC=C1CCI P42548 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.41 COCC1=CC=CN=C1C#N Q58422 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.53 C#CC1=CC=CC=C1C(=O)O O28760 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.53 C#CC1=CC=CC=C1C(C)=O O29479 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.53 C#CC1=CC=CC=C1C(N)=O O29403 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.53 CC(C)C1=C(C=O)C=CC=N1 Q60359 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.53 CC(C)C1=C(C=O)N=CC=C1 Q62375 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.53 CC(C)C1=CC=CC=C1CBr I-9078 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.53 CC(C)C1=CC=NC=C1C=O Q60343 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.53 CCC1=CN=CC=C1C(=O)O Q60755 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.53 CN(C)C1=CC=CC=C1C=O Q68631 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.53 COC1=C(B(O)O)C=CN=C1 Q68889 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.53 COC1=C(C(C)=O)C=NC=C1 O33511 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.53 COC1=C(C(C)=O)N=CC=C1 Q62300 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.53 COC1=C([N+](=O)[O-])C=CN=C1 10606 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.53 COC1=CC=CC=C1C(C)N P38299 [0,1,0,0,0,0|0,0,2]=3 188 B11R1.53 COC1=CC=CC=C1C(N)=O P39422 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.53 COC1=CC=CN=C1C(=O)O O31773 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.53 COC1=CC=NC=C1B(O)O Q53748 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.53 COC1=NC=CC=C1C(C)=O P41710 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.53 COC1=NC=CC=C1C(C)O P42615 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.53 NCC1=CC=CC=C1C(=O)O O28742 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.53 O=C(O)C1=CC=CC=C1CO O34075 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.265 CNC1=C(C#N)C(F)=CC=C1 Q65415 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.265 COC1=C(Br)C=CC=C1C=O Q67032 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.265 COC1=C(Br)C=CC=C1CO N25489 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.265 COC1=C(C#N)C(Cl)=NC=C1 S70879 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.265 COC1=C(C#N)C(I)=CC=N1 Q68851 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.265 COC1=C(C)C=CC=C1C=O Q68397 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.265 COC1=C(C)C=NC=C1C=O Q60439 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.265 COC1=C(C=O)C(Br)=CC=N1 Q53637 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.265 COC1=C(C=O)C(F)=NC=C1 N27734 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.265 COC1=C(C=O)C=CC=C1O N25134 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.265 COC1=C(CO)C(F)=CC=C1 Q67586 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.265 COC1=C(CO)C=CC=C1C N25714 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.265 COC1=C(F)C=CC=C1C=O Q67075 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.265 COC1=C(F)C=CC=C1CO Q68346 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.265 COC1=C(OC)C(O)=CC=C1 Q67063 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.265 COC1=CC=CC(Br)=C1C=O N24658 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.265 COC1=CC=CC(Br)=C1CO N25260 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.265 COC1=CC=CC(F)=C1CN P47983 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.265 COC1=CC=CC(F)=C1OC N24130 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.265 COC1=NC=CC(Cl)=C1C#N O31089 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.265 COC1=NC=CC(F)=C1C#N Q62297 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.265 COC1=NC=NC(N)=C1C=O Q58570 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.265 CSC1=C(Br)C=CC=C1C=O N26549 [0,1,0,0,0,0|1,1,0]=3 218 B11R1.265 CSC1=C(Br)C=CC=C1CO N27624 [0,1,0,0,0,0|1,1,1]=4 219 B11R1.265 CSC1=C(C#N)C(F)=CC=C1 O31543 [0,1,0,0,0,0|1,1,1]=4 220 B11R1.265 CSC1=C(C=O)C(Cl)=CC=C1 N24853 [0,1,0,0,0,0|1,1,0]=3 221 B11R1.265 CSC1=C(C=O)C(F)=NC=C1 N26922 [0,1,0,0,0,0|2,1,0]=4 222 B11R1.265 CSC1=C(C=O)C=CC=C1Cl N27225 [0,1,0,0,0,0|1,1,0]=3 223 B11R1.265 CSC1=C(CO)C(Cl)=CC=C1 N25818 [0,1,0,0,0,0|1,1,1]=4 224 B11R1.265 CSC1=C(F)C=CC=C1C=O Q68049 [0,1,0,0,0,0|1,1,0]=3 225 B11R1.265 CSC1=CC=CC(Br)=C1C=O N27334 [0,1,0,0,0,0|1,1,0]=3 226 B11R1.265 CSC1=CC=CC(Br)=C1CO N27581 [0,1,0,0,0,0|1,1,1]=4 227 B11R1.265 CSC1=CC=CC(F)=C1C=O N25474 [0,1,0,0,0,0|1,1,0]=3 228 B11R2.1 BrC1=COC2=CC=CC=C12 O30635 [0,0,0,1,0,0|1,0,1]=3 229 B11R2.1 BrC1=NNC2=CC=CC=C21 C-2069 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [0,0,0,1,0,0|2,0,0]=3 231 B11R2.1 CC1=CNC2=C1C=CN=C2 P44359 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.1 CC1=CNC2=C1C=NC=C2 L21593 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.1 CC1=CNC2=CC=CN=C12 O30970 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.1 CC1=CNC2=NC=CC=C12 G-5971 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [0,0,0,1,0,0|2,0,1]=4 236 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [0,0,0,1,0,0|1,0,1]=3 237 B11R2.1 CN1C=CC2=C1C=NC=C2 P45066 [0,0,0,1,0,0|2,0,0]=3 238 B11R2.1 CN1C=CC2=C1N=CC=C2 P44494 [0,0,0,1,0,0|2,0,0]=3 239 B11R2.1 CN1C=NC2=C1C=CN=C2 Q53288 [0,0,0,1,0,0|3,0,0]=4 240 B11R2.1 CN1N=CC2=C1N=CC=C2 P44569 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.1 ClC1=CNC2=C1C=CC=C2 L14683 [0,0,0,1,0,0|2,0,1]=4 242 B11R2.1 IC1=NNC2=C1C=CC=C2 Q67919 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.1 NC1=CNC2=C1C=CC=C2 O32345 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.1 NC1=CNC2=C1C=CC=C2 O32346 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.1 NC1=CSC2=CC=CC=C12 O29978 [0,0,0,1,0,0|1,1,1]=4 246 B11R2.1 NC1=NNC2=C1C=CC=C2 P35582 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.1 NC1=NOC2=C1C=CN=C2 K10867 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.1 NC1=NOC2=C1C=NC=C2 K10866 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.1 NC1=NOC2=CC=CN=C21 K10865 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.1 O=C1CCC2=C1C=CN=C2 L22316 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [0,0,0,1,0,0|2,0,1]=4 255 B11R2.20 C1=CC2=C(C=C1)OCCC2 P37892 [0,0,0,1,0,0|0,0,2]=3 256 B11R2.20 C1=CC2=C(C=CN=C2)C=N1 O31243 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.20 C1=CC=C2OCCNC2=C1 P37325 [0,0,0,1,0,0|1,0,1]=3 258 B11R2.20 C1=CN=C2C=CC=NC2=C1 M15542 [0,0,0,1,0,0|2,0,1]=4 259 B11R2.20 C1=CN=C2N=CC=CC2=C1 M15541 [0,0,0,1,0,0|2,0,1]=4 260 B9R1.14 COC1=C(C=O)C=CS1 L14528 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.14 COC1=NNC=C1C=O Q61775 [0,0,0,0,1,0|3,0,0]=4 262 B9R1.14 CSC1=C(C=O)C=CS1 N25993 [0,0,0,0,1,0|2,1,0]=4 263 B8R1.2 C=CC1=CC=CN=C1 O30687 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 COC1=CN=CN=C1 M15459 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.5 CC1=C(Br)C=CN=C1 G-7557 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.5 CC1=C(Br)C=CN=C1 P43051 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.5 CC1=C(Cl)C=CN=C1 P40666 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.5 CC1=C(O)C=CN=C1 E-3032 [2,0,0,0,0,0|1,0,1]=4 270 B8R1.5 CC1=CC=CN=C1C Q57216 [2,0,0,0,0,0|1,0,1]=4 271 B8R1.5 CC1=CC=NC=C1O E-3031 [2,0,0,0,0,0|1,0,1]=4 272 B8R1.5 CC1=NC=CC=C1Br G-6792 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.5 CC1=NC=CC=C1O G-6807 [2,0,0,0,0,0|1,0,1]=4 274 B8R1.5 NC1=C(O)C=NC=C1 O30556 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.5 NC1=C(O)C=NC=C1 O31762 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.5 NC1=CC=CN=C1O C-3656 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.5 O=C1C=COC=C1O L14061 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.5 O=C1OC=CC=C1O M15566 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.5 OC1=C(Br)C=CN=C1 N24655 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.5 OC1=C(Cl)C=CN=C1 N24314 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.5 OC1=C(Cl)C=NC=C1 Q67665 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.5 OC1=C(F)C=NC=C1 N24410 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.5 OC1=C(I)C=CN=C1 N27325 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.5 OC1=C(I)C=CN=C1 Q70033 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.5 OC1=CC=CN=C1Br Q70032 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.5 OC1=CC=CN=C1Cl I-9157 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.5 OC1=CC=NC=C1I H-8691 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.5 OC1=CC=NC=C1O 10601 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.5 OC1=CN=CC=C1Br H-8866 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.5 ON1C=CC=CC1=S Q62443 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.2 CC1=C(Br)C=CC=C1C=O N24620 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.2 CC1=C(Br)C=CC=C1CN P34928 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.2 CC1=C(Br)C=CC=C1CO P35887 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.2 CC1=C(Br)C=NC=C1C=O N25722 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.2 CC1=C(C)C(C=O)=CN=C1 Q60295 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.2 CC1=C(C=O)C=CC=C1O N24855 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.2 CC1=C(C=O)C=CN=C1F N27705 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.2 CC1=C(CO)C=CC=C1Cl N24882 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.2 CC1=C(Cl)C=CC=C1C=O Q67349 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.2 CC1=C(I)C=CC=C1C=O N27701 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.2 CC1=C(O)C(CO)=CC=C1 P39563 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.2 CC1=NC=CC(C=O)=C1C O29443 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.2 CCC1=CC=CC(C)=C1C O30455 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.2 CN1C(=O)C=CC=C1C=O Q60456 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.2 CNC1=CC=CC(Br)=C1N O31477 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.2 COC1=C(Br)C(Cl)=NC=C1 N26112 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.2 COC1=C(Br)C(O)=CC=C1 O31968 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 Q67395 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.2 COC1=C(Cl)C(Cl)=NC=C1 L21800 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.2 COC1=C(Cl)C(N)=CC=C1 L18399 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.2 COC1=C(Cl)C(N)=CC=C1 M24076 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.2 COC1=C(F)C(C)=CC=C1 N25450 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.2 COC1=C(N)C(Br)=CN=C1 L20729 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.2 COC1=C(N)C(Cl)=NC=C1 O30503 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.2 COC1=C(N)C(N)=CC=C1 O34317 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.2 COC1=C(O)C(Br)=CC=C1 G-5963 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.2 COC1=C(O)C(F)=CC=C1 Q66672 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.2 COC1=C(O)C(F)=CC=C1 Q67743 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.2 COC1=CC=CC(Br)=C1Br Q67513 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.2 COC1=CC=CC(Br)=C1C D-2572 [1,1,0,0,0,0|0,0,1]=3 321 B10R1.2 COC1=CC=CC(Br)=C1F Q67527 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.2 COC1=CC=CC(Br)=C1I N24961 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.2 COC1=CC=CC(F)=C1Cl N25141 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.2 COC1=CC=CC(F)=C1I Q68123 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.2 COC1=CN=CC(Br)=C1C N24131 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.2 COC1=NC=CC(Cl)=C1Br Q62206 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.2 COC1=NC=CC(F)=C1Br Q62296 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.2 COC1=NC=CC(I)=C1Cl N26893 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.2 COC1=NC=CC(N)=C1Br G-7871 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.2 COC1=NC=CC(N)=C1I L18311 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.2 COC1=NC=CC(N)=C1N O31518 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.2 CSC1=C(Cl)C(Cl)=CC=C1 Q68599 [1,1,0,0,0,0|1,1,0]=4 333 B10R1.2 CSC1=C(Cl)C(F)=CC=C1 Q68532 [1,1,0,0,0,0|1,1,0]=4 334 B10R1.2 CSC1=C(F)C(F)=CC=C1 N25629 [1,1,0,0,0,0|1,1,0]=4 335 B10R1.2 CSC1=CC=CC(Br)=C1F N25973 [1,1,0,0,0,0|1,1,0]=4 336 B10R1.2 CSC1=CC=CC(F)=C1O N27023 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.2 CSC1=CC=CC(O)=C1F N25513 [1,1,0,0,0,0|1,1,0]=4 338 B10R1.2 N#CC1=CC=CC(Br)=C1O G-5739 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.2 NC1=C(Br)C=CC=C1C=O M15514 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.2 NCC1=C(O)C(O)=CC=C1 P36464 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.2 O=CC1=C(Br)C(Br)=CC=C1 N25236 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.2 O=CC1=CC=CC(Cl)=C1O Q67707 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.2 O=CC1=CC=CC(I)=C1F Q67649 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.2 O=CC1=CC=CC(I)=C1O O30480 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.2 O=CC1=CC=CC(O)=C1Br Q66620 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.2 O=CC1=CC=CC(O)=C1F Q66733 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.2 OCC1=CC=CC(Cl)=C1O N27736 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.4 C=CCC1=C(C)C=CN=C1 N26419 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.4 CC1=CC=CC=C1CCBr O28115 [1,1,0,0,0,0|0,0,2]=4 351 B10R1.4 CCNC1=CC=CC=C1Br P36583 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.4 CCNC1=CC=CC=C1Cl P41555 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 CCNC1=CC=CC=C1F P39148 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.4 CCNC1=CC=CC=C1N P39464 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.4 CCOC1=C(N)C=CN=C1 O29937 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.4 CCOC1=CC=CN=C1F N26164 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.4 CCOC1=NC=CC=C1Br N24847 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.4 CCOC1=NC=CC=C1Cl N25582 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.4 CCOC1=NC=CC=C1I P36178 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.4 CCOC1=NC=CC=C1N P37716 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.4 CCOC1=NC=CC=C1O O31077 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.4 CNCC1=CC=CC=C1C P35580 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.4 CNCC1=CC=CC=C1N P40191 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.4 COCC1=CC=CC=C1Br Q67462 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.4 NCCC1=CC=CC=C1N P42500 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.4 NCCC1=CC=CC=C1O M22991 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.4 OC1=CC=CC=C1CCBr P37343 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.4 OCCC1=CC=CC=C1O P36102 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.25 C#CC1=CC=C(C)C=C1C P40859 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.25 CC1=C(C=O)C=NC(Cl)=C1 N24678 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.25 CC1=CC(Br)=CC=C1CO P40596 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.25 CC1=CC(Br)=CN=C1C=O N24312 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.25 CC1=CC(Br)=NC=C1C=O N26193 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.25 CC1=CC(Cl)=CC=C1C=O Q67549 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.25 CC1=CC(Cl)=CC=C1CO P41778 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.25 CC1=CC(F)=CC=C1CO Q67889 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.25 CC1=CC(F)=CN=C1C=O Q60461 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.25 CC1=CC(F)=NC=C1C=O Q67340 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.25 CC1=CC(O)=CC=C1C=O Q68156 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.25 CC1=CC(O)=CC=C1CO Q68377 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.25 CC1=CC(O)=NC=C1C=O Q60311 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.25 CC1=CC=C(C=O)C(C)=N1 O30287 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.25 CC1=CC=C(C=O)C(F)=C1 Q67651 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.25 CC1=CC=C(CO)C(C)=C1 P40779 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.25 CC1=CC=C(CO)C(O)=C1 N25355 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.25 CC1=CN=C(C=O)C(C)=C1 N25612 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.25 CC1=NC(Br)=CC=C1C=O N25138 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.25 CC1=NC(Cl)=CC=C1C=O Q67296 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.25 CC1=NC(F)=CC=C1C=O N26169 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.25 CC1=NC(O)=C(C=O)C=C1 Q60326 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.25 CCC1=CC=C(Cl)C=C1N O29377 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.25 CNC1=CC=C(C)C=C1F P37822 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.25 COC1=C(Br)N=C(F)C=C1 N26207 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.25 COC1=C(Br)N=C(N)C=C1 O30533 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.25 COC1=C(C)C=C(Br)C=N1 10642 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.25 COC1=C(C)C=C(O)C=C1 N25234 [1,1,0,0,0,0|0,0,1]=3 397 B10R1.25 COC1=C(Cl)C=C(I)C=C1 N24180 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.25 COC1=C(Cl)N=C(N)C=C1 G-6967 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.25 COC1=CC=C(Br)C=C1F I-9161 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.25 COC1=CC=C(Br)C=C1N Q67396 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.25 COC1=CC=C(Br)N=C1C N24916 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.25 COC1=CC=C(Br)N=C1F N26001 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.25 COC1=CC=C(Br)N=C1N Q65385 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.25 COC1=CC=C(C)C=C1F Q67608 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.25 COC1=CC=C(C)N=C1Br Q67211 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.25 COC1=CC=C(C)N=C1F N26378 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.25 COC1=CC=C(Cl)N=C1Cl N25563 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.25 COC1=CC=C(F)N=C1C N26375 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.25 COC1=CC=C(I)C=C1Br Q68173 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.25 COC1=CC=C(I)N=C1Br Q67215 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 COC1=CC=C(O)C=C1Br Q66991 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.25 COC1=CC=C(O)C=C1Cl Q67654 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.25 COC1=CC=C(O)C=C1F Q67009 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.25 COC1=CN=C(Br)C=C1N Q65374 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.25 COC1=CN=C(Cl)C=C1C Q67505 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.25 COC1=CN=C(Cl)C=C1N Q69333 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.25 COC1=CN=C(F)C=C1Br N25531 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.25 COC1=CN=C(F)C=C1C N24782 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.25 COC1=CN=C(F)C=C1I N25508 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 COC1=CN=C(N)C=C1Br P48328 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 COC1=CN=C(N)C=C1C L20666 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.25 COC1=CN=C(N)C=C1Cl G-6858 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 COC1=NC=C(Br)C=C1Cl Q67094 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.25 COC1=NC=C(Br)C=C1I Q67165 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.25 COC1=NC=C(Br)C=C1N C-3689 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 COC1=NC=C(Br)C=C1N N26780 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.25 COC1=NC=C(Br)C=C1O G-6879 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 COC1=NC=C(C)C=C1Br N25597 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 COC1=NC=C(Cl)C=C1I N26342 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 COC1=NC=C(I)C=C1C N25697 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.25 COC1=NC=C(O)C=C1C N25032 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.25 COC1=NC=C(O)C=C1Cl N25353 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 N26937 [1,1,0,0,0,0|1,1,0]=4 434 B10R1.25 CSC1=C(Cl)C=C(O)C=C1 N27242 [1,1,0,0,0,0|1,1,0]=4 435 B10R1.25 CSC1=CC=C(Br)C=C1C Q68080 [1,1,0,0,0,0|0,1,1]=4 436 B10R1.25 CSC1=CC=C(Br)C=C1F Q67467 [1,1,0,0,0,0|1,1,0]=4 437 B10R1.25 CSC1=CC=C(C)C=C1Br Q67598 [1,1,0,0,0,0|1,1,0]=4 438 B10R1.25 CSC1=CC=C(Cl)C=C1Br N24474 [1,1,0,0,0,0|1,1,0]=4 439 B10R1.25 CSC1=CC=C(F)C=C1Br Q67404 [1,1,0,0,0,0|1,1,0]=4 440 B10R1.25 CSC1=CC=C(F)C=C1C N24243 [1,1,0,0,0,0|0,1,1]=4 441 B10R1.25 CSC1=CC=C(F)C=C1F Q67753 [1,1,0,0,0,0|1,1,0]=4 442 B10R1.25 CSC1=CC=C(F)C=C1O N25555 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.25 CSC1=CC=C(N)C=C1F O29735 [1,1,0,0,0,0|1,1,0]=4 444 B10R1.25 NC1=CC(Br)=CC=C1C=O O32309 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.25 O=CC1=C(O)C=C(Br)N=C1 Q52264 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.25 O=CC1=CC=C(Br)C=C1O P39549 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.25 O=CC1=CC=C(Cl)C=C1O Q68512 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.25 O=CC1=CC=C(F)C=C1O L13983 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.25 O=CC1=CC=C(I)C=C1F B-1785 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.25 O=CC1=CC=C(O)C=C1Cl P37350 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.30 CC1=C(C=O)C=C(I)C=C1 N24708 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.30 CC1=CC=C(Br)C(C=O)=C1 Q66721 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.30 CC1=CC=C(Br)C=C1C=O Q66367 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.30 CC1=CC=C(Br)C=C1CO O34085 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.30 CC1=CC=C(C)C(CO)=C1 P37558 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.30 CC1=CC=C(Cl)C(C=O)=C1 Q67759 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.30 CC1=CC=C(Cl)C=C1C=O N24758 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.30 CC1=CC=C(Cl)C=C1CO P37211 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.30 CC1=CC=C(F)C=C1CO Q67532 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.30 CC1=CC=C(O)C(CO)=C1 N26156 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.30 CC1=CC=C(O)C=C1C=O Q67573 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.30 CC1=CC=C(O)C=C1CO N24525 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.30 CC1=NC=C(Cl)C=C1C=O Q60371 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.30 CCC1=C(O)C=CC(Br)=C1 N24526 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.30 CCC1=CC(Br)=CC=C1Cl Q66646 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.30 CCC1=CC(F)=CC=C1N O29402 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.30 CNC1=CC(Br)=CC=C1N O31722 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.30 COC1=C(Br)C=CC(N)=N1 M15770 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.30 COC1=C(C)C=CC(O)=C1 N24341 [1,1,0,0,0,0|0,0,1]=3 470 B10R1.30 COC1=C(Cl)C=CC(O)=C1 N24761 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.30 COC1=C(Cl)N=CC(O)=C1 I-9680 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.30 COC1=C(N)C=NC(Cl)=C1 O29809 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.30 COC1=CC(Br)=CC=C1I Q67115 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.30 COC1=CC(Br)=CN=C1Br N26162 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.30 COC1=CC(Br)=CN=C1C Q52072 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.30 COC1=CC(Br)=CN=C1Cl O31933 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.30 COC1=CC(Br)=CN=C1F Q66585 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.30 COC1=CC(Br)=CN=C1N N24242 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.30 COC1=CC(Br)=NC=C1Br N26243 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.30 COC1=CC(C)=CC=C1Br Q66623 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.30 COC1=CC(C)=CN=C1F N26395 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.30 COC1=CC(Cl)=CC=C1N O30871 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.30 COC1=CC(Cl)=CN=C1F N24981 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.30 COC1=CC(Cl)=NC=C1Br N25676 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.30 COC1=CC(Cl)=NC=C1Cl N25965 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.30 COC1=CC(Cl)=NC=C1F O32147 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.30 COC1=CC(F)=CC=C1I N24671 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.30 COC1=CC(F)=CC=C1N Q65477 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.30 COC1=CC(F)=CN=C1Br O29528 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.30 COC1=CC(O)=CC=C1Br Q67374 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.30 COC1=CC(O)=CN=C1Br N26421 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.30 COC1=CC(O)=CN=C1F N25711 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.30 COC1=NC(Br)=CC=C1N O30738 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.30 COC1=NC(C)=CC=C1Br Q57208 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.30 COC1=NC(I)=CC=C1O L20850 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.30 CSC1=C(C)C=CC(Br)=C1 N24432 [1,1,0,0,0,0|0,1,1]=4 497 B10R1.30 CSC1=CC(Br)=CC=C1Br N24626 [1,1,0,0,0,0|1,1,0]=4 498 B10R1.30 CSC1=CC(Br)=CC=C1F Q67732 [1,1,0,0,0,0|1,1,0]=4 499 B10R1.30 CSC1=CC(C)=CC=C1Br N27752 [1,1,0,0,0,0|1,1,0]=4 500 B10R1.30 CSC1=CC(C)=CC=C1Cl N27754 [1,1,0,0,0,0|1,1,0]=4 501 B10R1.30 CSC1=CC(C)=CC=C1F N27723 [1,1,0,0,0,0|1,1,0]=4 502 B10R1.30 CSC1=CC(I)=CC=C1Br N24878 [1,1,0,0,0,0|1,1,0]=4 503 B10R1.30 NC1=CC=C(Br)C=C1C=O G-7659 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.30 O=CC1=CC(Br)=CC=C1Br Q67129 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.30 O=CC1=CC(Cl)=NC=C1O Q57091 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.30 O=CC1=CC(I)=CC=C1Br N24623 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.30 O=CC1=CC(O)=CC=C1F Q66734 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.61 CC(Br)C1=CC=CC=C1F O31043 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.61 CC(Cl)C1=CC=CC=C1Cl P40025 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.61 CC(N)C1=CC=CC=C1Br O34378 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.61 CC(N)C1=CC=CC=C1Cl P38305 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.61 CC(N)C1=CC=CC=C1F P36297 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.61 CC(N)C1=CC=CC=C1N P38310 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [1,1,0,0,0,0|0,0,2]=4 518 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.61 CN(C)C1=CC=CC=C1O P38469 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.61 C[C@H](N)C1=CC=CC=C1Br P51405 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.245 C=CC1=C(Br)C=CN=C1O L21757 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.245 C=CC1=C(C)C=CC=C1C O29873 [1,1,0,0,0,0|0,0,0]=2 528 B10R1.245 C=CC1=C(Cl)C=CN=C1O L21786 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.245 C=CC1=C(F)C=CN=C1O L21776 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.245 C=CC1=C(O)N=CC=C1I L21779 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.245 CC1=C(C=O)C(F)=NC=C1 Q66659 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.245 CC1=CC=CC(C)=C1CBr Q61051 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.245 CC1=CC=CC(C)=C1CO Q67997 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.245 CC1=CC=NC(O)=C1C=O Q60291 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.245 CC1=CN=CC(Br)=C1C=O N25771 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.245 CC1=CN=CC(C)=C1C=O Q62371 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.245 COC1=C(Br)C=CC=C1Br Q67033 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.245 COC1=C(Br)C=NC=C1Br Q67784 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.245 COC1=C(Cl)C=CC=C1Br O29001 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.245 COC1=C(Cl)C=CN=C1C I-9042 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.245 COC1=C(Cl)C=CN=C1N Q56241 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.245 COC1=C(F)C=CC=C1O N24698 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.245 COC1=C(I)C=CN=C1F N27753 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.245 COC1=C(O)C=CC=C1Br N25096 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.245 COC1=C(O)C=CN=C1F N27050 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.245 CSC1=C(Br)C=CC=C1Br N26833 [1,1,0,0,0,0|1,1,0]=4 547 B10R1.245 CSC1=C(Br)C=CC=C1Cl N26840 [1,1,0,0,0,0|1,1,0]=4 548 B10R1.245 CSC1=C(Br)C=CC=C1F N24233 [1,1,0,0,0,0|1,1,0]=4 549 B10R1.245 CSC1=C(Cl)C=CC=C1O N27031 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.245 N#CC1=C(Cl)C=CC=C1O C-2883 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.245 NC1=CC=CC(Br)=C1C=O L14081 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.245 O=CC1=C(Br)C=CC=C1Br Q66757 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.245 O=CC1=C(Cl)C=CC=C1Br Q66759 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.245 O=CC1=C(Cl)C=CC=C1I N24994 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.245 O=CC1=C(Cl)C=CC=C1O Q67768 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.245 O=CC1=C(F)C=CC=C1I Q67539 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.245 O=CC1=C(O)C=CC=C1F Q66732 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.245 O=CC1=C(O)C=CC=C1O M15620 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.245 OCC1=C(Cl)C=CC=C1O N24912 [1,1,0,0,0,0|1,0,1]=4 560 B12R1.46 CC(C)C1=C(C=O)C=CC(Br)=C1 N24972 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 Q60538 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.46 COC1=C(C(C)C)C=C(Br)C=C1 N24470 [0,2,0,0,0,0|0,0,2]=4 563 B12R1.46 COC1=CC=C(O)C=C1B(O)O N25586 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.46 COC1=CC=C(O)C=C1C(=O)O N26109 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.46 COC1=NC=C(Br)C=C1C(=O)O C-3522 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.46 CSC1=CC=C(Cl)C=C1C(=O)O N26910 [0,2,0,0,0,0|1,1,0]=4 567 B12R1.46 CSC1=CC=C(F)C=C1C(=O)O N24824 [0,2,0,0,0,0|1,1,0]=4 568 B12R1.57 CCC1=CC(Br)=CC=C1C(=O)O Q67851 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.57 CN(C)C1=CC=C(Br)C=C1C=O N24590 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.57 CNC1=CC(F)=CC=C1C(=O)O M23715 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 Q60539 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 O34541 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 H-8631 [0,2,0,0,0,0|0,0,1]=3 574 B12R1.57 COC1=C(C(C)=O)N=CC(Br)=C1 Q52488 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.57 COC1=CC(Br)=CC=C1B(O)O Q66970 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.57 COC1=CC(C)=CC=C1B(O)O N25144 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.57 COC1=CC(Cl)=CC=C1B(O)O Q66423 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O L14352 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.57 COC1=CC(O)=CC=C1B(O)O N25998 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.57 COC1=CC(O)=CC=C1C(=O)O N25767 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 P38107 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 N25709 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.78 COC1=C(C=O)C=C(SC)C=C1 N26947 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.78 COC1=C(CN)C=C(C=O)C=C1 L21072 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 Q66655 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.112 CCOC1=C(CC)C=C(Br)C=C1 N26366 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.112 CCOC1=CC=C(C)C=C1C=O Q68386 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.112 CCOC1=CC=C(C)C=C1CO N25322 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.112 CCOC1=CC=C(Cl)C=C1C=O Q68039 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.112 CCOC1=CC=C(Cl)C=C1CO N25468 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.112 CCOC1=CC=C(F)C=C1C=O Q68807 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.112 CCOC1=NC=C(Br)C=C1C=O N25734 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.112 CCOC1=NC=C(Cl)C=C1C=O N26341 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.234 COC1=C(Br)C=C(C)C=C1C=O Q67034 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.234 COC1=C(Br)C=C(C)C=C1CO O29138 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.234 COC1=C(Br)C=C(F)C=C1C#N N26463 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.234 COC1=C(Br)C=C(F)C=C1C=O Q67064 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.234 COC1=C(C#N)C(F)=CC(Br)=C1 Q67955 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.234 COC1=C(C=O)C=C(Br)C=C1C N26149 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.234 COC1=C(CO)C=C(Br)C=C1C N26150 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.234 COC1=C(Cl)C=C(F)C=C1C=O O29185 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.234 COC1=C(Cl)C=C(F)C=C1CO O29040 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.234 COC1=C(F)C=C(F)C=C1C=O Q67342 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.234 COC1=CC(Br)=CC(F)=C1C=O N24805 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.234 COC1=CC(Br)=CC(F)=C1CO N27072 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.234 COC1=CC(C)=CC(F)=C1C=O N26086 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.268 CCOC1=CC(C)=CC=C1C=O N26385 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.448 COC1=C(C#N)C=C(Br)C(C)=C1 L20868 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.448 COC1=C(C=O)C=C(Br)C(C)=C1 L20916 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.448 COC1=C(C=O)C=C(C)C(Br)=C1 N27657 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.448 COC1=C(CO)C=C(Br)C(C)=C1 N26237 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.448 COC1=C(CO)C=C(C)C(Br)=C1 N27700 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.448 COC1=CC(Br)=C(F)C=C1CN L19926 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.448 COC1=CC(C)=C(C)C=C1C=O N26063 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.448 COC1=CC(F)=C(Br)C=C1OC N25432 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.448 COC1=CC(F)=C(C)C=C1CO O29071 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.448 COC1=CC(F)=C(F)C=C1C=O Q67715 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.652 COC1=C(C#N)C(Cl)=C(Br)C=C1 K12416 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.652 COC1=C(C)C(F)=CC=C1C=O Q68340 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.652 COC1=C(C=O)C(Cl)=C(Cl)C=C1 Q67424 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.652 COC1=C(C=O)C(F)=C(F)C=C1 Q66952 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.652 COC1=C(C=O)C=CC(C)=C1Cl N27627 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.652 COC1=C(C=O)C=CC(F)=C1F N25061 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.652 COC1=C(CO)C(Cl)=C(Cl)C=C1 Q68673 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.652 COC1=C(CO)C(F)=C(F)C=C1 Q68143 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.652 COC1=C(CO)C=CC(C)=C1Cl N27655 [0,2,0,0,0,0|1,0,1]=4 627 B12R1.652 COC1=C(CO)C=CC(Cl)=C1Cl N27263 [0,2,0,0,0,0|1,0,1]=4 628 B12R1.652 COC1=C(Cl)C(Cl)=CC=C1C=O N27707 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.652 COC1=C(OC)C(Cl)=C(I)C=C1 K12398 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.652 COC1=CC=C(Br)C(F)=C1C=O N25869 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.652 COC1=CC=C(Br)C(F)=C1CO N26911 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.652 COC1=CC=C(Br)C(O)=C1OC N26873 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.652 CSC1=C(C=O)C(F)=C(F)C=C1 N27236 [0,2,0,0,0,0|1,1,0]=4 634 B12R1.652 CSC1=C(F)C(C)=CC=C1C=O O29171 [0,2,0,0,0,0|1,1,0]=4 635 B12R1.75 CC(C)OC1=C(C=O)N=CC=C1 Q60429 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.75 CC(C)OC1=NC=CC=C1C=O Q67445 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 Q60487 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.75 COC1=CC=CN=C1CC(=O)O Q52077 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] L14567 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 O33939 [0,2,0,0,0,0|0,1,1]=4 641 B12R1.75 NCC1=CC=CC=C1OC(F)F O33307 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.75 O=CC1=C(OC(F)F)N=CC=C1 P43670 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.77 C#CC1=CC=CC=C1C(=O)OC O27981 [0,2,0,0,0,0|0,0,2]=4 644 B12R1.77 C=CC1=CC=CC=C1C(=O)OC Q70127 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.77 COC(=O)C1=C(OC)C=CN=C1 O31925 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.77 COC(=O)C1=CC=CC=C1CBr P39435 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.77 COC1=CC=CC=C1C(N)C#N M23189 [0,2,0,0,0,0|0,0,2]=4 648 B12R1.77 COC1=CC=CC=C1C(N)C#N O32486 [0,2,0,0,0,0|0,0,2]=4 649 B12R1.77 COC1=CC=CC=C1C(N)CO P42721 [0,2,0,0,0,0|0,0,2]=4 650 B12R1.121 C#CCOC1=CC=CC=C1C=O O28023 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.121 C=CCOC1=CC=CC=C1C=O P39042 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.121 CCCOC1=CC=CC=C1CN P38437 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.121 CCCOC1=CC=CC=C1NC P41744 [0,2,0,0,0,0|1,0,1]=4 654 B12R1.121 CNCCC1=CC=CC=C1OC P42864 [0,2,0,0,0,0|0,0,2]=4 655 B12R1.121 COC1=CC=CC=C1CCCBr P38426 [0,2,0,0,0,0|0,0,2]=4 656 B12R1.121 COC1=CC=CC=C1CCCN P40262 [0,2,0,0,0,0|0,0,2]=4 657 B12R1.121 COC1=CC=CC=C1CCCO O28919 [0,2,0,0,0,0|0,0,2]=4 658 B12R1.121 COC1=CC=CC=C1OCC#N P36658 [0,2,0,0,0,0|0,0,2]=4 659 B12R1.121 COC1=CC=CC=C1OCCO P40365 [0,2,0,0,0,0|0,0,2]=4 660 B12R1.121 COCOC1=CC=CC=C1OC Q68166 [0,2,0,0,0,0|0,0,2]=4 661 B12R1.121 CSC1=CC=CC=C1OCCN P36386 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.169 CCOC1=CC=CC=C1CCO O28863 [0,2,0,0,0,0|0,0,2]=4 663 B12R1.283 CNCC1=CC=CC=C1C(=O)O P37625 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.283 COCC1=CC=CC=C1B(O)O Q66516 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.283 COCC1=CC=CC=C1C(C)=O K16133 [0,2,0,0,0,0|0,0,1]=3 666 B12R1.1112 C=CCC1=C(O)C=CC=C1C=O O30717 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.76 COC1=CC=CC=C1C(C)(C)N P41616 [0,2,0,0,0,0|0,0,2]=4 668 B12R1.76 COC1=CC=CC=C1C(F)(F)F Q67897 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.87 CN(C)C1=C(C=O)C(Br)=CC=C1 N24315 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.87 COC1=C(B(O)O)C=CC=C1Br N24472 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.87 COC1=C(B(O)O)C=CC=C1O N26457 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.87 COC1=C(C(=O)O)C=CC=C1F N24156 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.87 COC1=C(C(=O)O)C=CC=C1O N25189 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.87 COC1=C(C(=O)O)C=CN=C1O Q60674 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.87 COC1=C(C(=O)O)N=CC=C1Cl Q53039 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.87 COC1=C(Cl)C=CC=C1B(O)O O31689 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.87 COC1=C(F)C=CC=C1B(O)O Q66490 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.87 CSC1=C(Br)C=CC=C1C(=O)O N27043 [0,2,0,0,0,0|1,1,0]=4 679 B12R1.87 CSC1=C(F)C=CC=C1C(=O)O Q68635 [0,2,0,0,0,0|1,1,0]=4 680 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O Q68876 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O P37098 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.437 COC1=C(C(=O)O)C(Br)=CC=C1 Q66688 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.437 COC1=C(C(=O)O)C(Cl)=NC=C1 H-8241 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.437 COC1=C(C(=O)O)C(F)=NC=C1 N26179 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.437 COC1=C(C(N)=O)C(F)=CC=C1 P37611 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.437 COC1=CN=CC(Cl)=C1C(=O)O Q60651 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.437 COC1=NC=CC(Br)=C1C(=O)O Q53635 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.437 COC1=NC=CC(Cl)=C1C(=O)O Q60528 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.437 COC1=NC=CC(N)=C1C(=O)O Q53196 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.437 CSC1=CC=CC(F)=C1C(=O)O N25148 [0,2,0,0,0,0|1,1,0]=4 691 B12R1.741 COC1=C(Br)C=CC(F)=C1C#N N27121 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.741 COC1=C(Br)C=CC(F)=C1C=O P51486 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.741 COC1=C(Br)C=CC(F)=C1CO N26949 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.741 COC1=C(C=O)C(F)=CC=C1C N27078 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.741 COC1=C(C=O)C(F)=CC=C1I N27246 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.741 COC1=C(CO)C(F)=CC=C1C N26744 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.741 COC1=C(CO)C(F)=CC=C1Cl N26722 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.741 COC1=C(CO)C(F)=CC=C1F N26484 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.741 COC1=C(Cl)C=CC(F)=C1C=O Q67086 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.741 COC1=C(F)C=CC(Br)=C1OC N24696 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.741 COC1=C(F)C=CC(F)=C1C=O Q66958 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.741 COC1=C(OC)C(Cl)=CC=C1F N27829 [0,2,0,0,0,0|1,0,1]=4 703 B12R1.1879 COC1=C(C=O)C(SC)=CC=C1 N26920 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.1879 COC1=C(CO)C(SC)=CC=C1 N26554 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.1879 COC1=CC=CC(OC)=C1CO M15612 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.1879 CSC1=CC=CC(SC)=C1C=O O29309 [0,2,0,0,0,0|1,1,0]=4 707 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [0,0,1,1,0,0|1,0,1]=4 708 B10R1.172 C=CC1=NC(OC)=CC=C1 Q65665 [0,0,1,1,0,0|1,0,0]=3 709 B10R1.172 CCC1=CC(C=O)=CC=C1 Q67834 [0,0,1,1,0,0|2,0,0]=4 710 B10R1.172 COC1=CC(C=O)=NC=C1 O30611 [0,0,1,1,0,0|2,0,0]=4 711 B10R1.172 COC1=CC=CC(C=O)=N1 Q67244 [0,0,1,1,0,0|2,0,0]=4 712 B10R1.172 COC1=CN=CC(C=O)=C1 G-6116 [0,0,1,1,0,0|2,0,0]=4 713 B10R1.172 COC1=NC=CC(C=O)=C1 G-5573 [0,0,1,1,0,0|2,0,0]=4 714 B10R1.176 COC1=CC=C(Br)C(I)=C1 Q68050 [0,0,1,1,0,0|2,0,0]=4 715 B10R1.176 COC1=CC=C(Br)C(O)=C1 Q66993 [0,0,1,1,0,0|2,0,0]=4 716 B10R1.176 COC1=CC=C(C)C(Br)=C1 N24125 [0,0,1,1,0,0|1,0,1]=4 717 B10R1.176 COC1=CC=C(C)C(F)=C1 Q67079 [0,0,1,1,0,0|1,0,1]=4 718 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [0,0,1,1,0,0|1,0,1]=4 719 B10R1.176 COC1=CC=C(F)C(I)=C1 N24584 [0,0,1,1,0,0|2,0,0]=4 720 B10R1.176 COC1=CC=C(F)C(O)=C1 Q67529 [0,0,1,1,0,0|2,0,0]=4 721 B10R1.176 COC1=CC=C(I)C(Br)=C1 Q67866 [0,0,1,1,0,0|2,0,0]=4 722 B10R1.176 COC1=CC=C(N)C(I)=C1 Q52916 [0,0,1,1,0,0|2,0,0]=4 723 B10R1.176 COC1=CC=C(N)C(O)=C1 M15200 [0,0,1,1,0,0|2,0,0]=4 724 B10R1.176 COC1=CC=C(N)C(O)=C1 M15201 [0,0,1,1,0,0|2,0,0]=4 725 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [0,0,1,1,0,0|1,0,1]=4 726 B10R2.7 B1OC2=C(C=CC=C2)O1 P39136 [1,0,0,1,0,0|2,0,0]=4 727 B10R2.7 C1=CC2=C(C=CO2)C=N1 O30086 [1,0,0,1,0,0|1,0,0]=3 728 B10R2.7 C1=CC2=C(C=CO2)N=C1 C-3657 [1,0,0,1,0,0|1,0,0]=3 729 B10R2.7 C1=CC2=C(C=CS2)C=N1 O30442 [1,0,0,1,0,0|1,1,0]=4 730 B10R2.7 C1=CC2=C(C=N1)SC=C2 O31818 [1,0,0,1,0,0|1,1,0]=4 731 B10R2.7 C1=CC2=CC=NC=C2N1 C-2344 [1,0,0,1,0,0|2,0,0]=4 732 B10R2.7 C1=CC2=CC=NN2C=C1 A-886 [1,0,0,1,0,0|2,0,0]=4 733 B10R2.7 C1=CC2=CN=CC=C2N1 C-3300 [1,0,0,1,0,0|2,0,0]=4 734 B10R2.7 C1=CC2=NC=CN2C=C1 A-801 [1,0,0,1,0,0|2,0,0]=4 735 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,1,0,0|1,0,1]=4 736 B10R2.7 C1=CN=C2C=CNC2=C1 C-2342 [1,0,0,1,0,0|2,0,0]=4 737 B10R2.7 C1=CN=C2C=CSC2=C1 O31503 [1,0,0,1,0,0|1,1,0]=4 738 B10R2.7 C1=CN=C2CC=NC2=C1 O29484 [1,0,0,1,0,0|2,0,0]=4 739 B10R2.7 C1=CN=C2N=COC2=C1 M24033 [1,0,0,1,0,0|2,0,0]=4 740 B10R2.7 C1=CN=C2NC=CC2=C1 A-816 [1,0,0,1,0,0|2,0,0]=4 741 B10R2.7 C1=CN=C2OC=CC2=C1 O31056 [1,0,0,1,0,0|1,0,0]=3 742 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|1,0,1]=4 743 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 P38383 [0,1,0,1,0,0|0,0,2]=4 744 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 G-5331 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 A-699 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 E-3053 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 G-7161 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 P45766 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.24 BrC1=CC=C2NCCOC2=C1 O34410 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.24 CC1=CC=C2N=CC=CC2=N1 G-5488 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.24 CC1=NC2=NC=CC=C2C=C1 A-951 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 P36962 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 O31592 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 I-9601 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 O31839 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.24 IC1=CC2=C(C=C1)C=NC=C2 O29893 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.24 IC1=CC2=C(C=C1)OCCC2 P36651 [0,1,0,1,0,0|0,0,2]=4 758 B12R2.24 NC1=CC2=CN=CC=C2C=C1 10664 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.24 NC1=CC=C2C=CC=NC2=C1 O30539 [0,1,0,1,0,0|1,0,1]=4 760 B12R2.24 NC1=CC=C2C=NC=CC2=C1 H-8243 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [0,1,0,1,0,0|0,0,2]=4 762 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [0,1,0,1,0,0|0,0,2]=4 763 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [0,1,0,1,0,0|0,0,2]=4 764 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.24 O=C1COC2=NC=CC=C2N1 Q70041 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,1,0,1,0,0|0,1,1]=4 767 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [0,1,0,1,0,0|1,0,1]=4 769 B12R2.24 OC1=CC=C2OCCOC2=C1 O33980 [0,1,0,1,0,0|1,0,1]=4 770 B12R2.24 SC1=CC2=CC=CC=C2N=C1 O29500 [0,1,0,1,0,0|1,0,1]=4 771 B12R2.132 CC1=CC2=C(C=C1)ON=C2Cl L19234 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 Q55299 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 G-7513 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 Q55296 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 M22708 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.132 CN1C=CC2=C1C=C(O)C=N2 P50289 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.132 CN1C=CC2=C1N=C(N)C=C2 I-9644 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.132 CN1C=CC2=CC=C(Cl)N=C21 P44806 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.132 CN1C=CC2=CN=C(Cl)C=C21 P46596 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 O33268 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.132 CN1C=CC2=NC=C(N)C=C21 P47240 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 L14673 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 G-5414 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.132 CN1N=CC2=C1C=C(O)C=C2 O31454 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.132 CN1N=CC2=CC=C(Br)C=C21 C-2018 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.132 ClC1=NOC2=CC=C(Br)C=C21 10619 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 A-507 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 I-9219 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 P41205 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 A-509 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.132 O=C1COC2=CC=C(Br)C=C12 B-1771 [0,1,0,1,0,0|1,0,0]=3 792 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 B-1796 [0,1,0,1,0,0|1,0,0]=3 793 B12R2.132 O=C1COC2=CC=C(F)C=C12 B-1139 [0,1,0,1,0,0|1,0,0]=3 794 B12R2.132 O=C1NOC2=CC=C(Br)C=C12 M15623 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 L14882 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P44314 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.612 CC1=CNC2=CC(N)=CC=C12 L13196 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 P43102 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.612 CN1C=CC2=C1C=CC(Br)=N2 P46208 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.612 CN1C=CC2=C1C=CC(N)=N2 P44755 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.612 CN1C=CC2=C1N=CC(Br)=C2 G-6226 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.612 CN1C=CC2=CC(N)=CN=C21 C-2802 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.612 CN1C=CC2=CC(O)=CN=C21 P45264 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 A-852 [0,1,0,1,0,0|2,0,0]=4 805 B12R2.612 CN1C=NC2=CC(N)=CC=C21 O31795 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 G-5413 [0,1,0,1,0,0|2,0,0]=4 807 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 C-2017 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 O31598 [0,1,0,1,0,0|2,0,0]=4 809 B12R2.612 O=C1COC2=CC(Br)=CC=C12 F-4089 [0,1,0,1,0,0|1,0,0]=3 810 B12R2.1 BrCC1=CNC2=C1C=CC=C2 Q54248 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 P45569 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.1 N#CC1=COC2=C1C=CC=C2 O34105 [0,1,0,1,0,0|0,0,2]=4 813 B12R2.1 O=CC1=COC2=C1N=CC=C2 Q60417 [0,1,0,1,0,0|1,0,1]=4 814 B12R2.1 O=CC1=COC2=CC=CC=C12 O34082 [0,1,0,1,0,0|0,0,1]=3 815 B12R2.1 O=CC1=COC2=CC=NC=C12 Q60457 [0,1,0,1,0,0|1,0,1]=4 816 B12R2.1 O=CC1=COC2=CN=CC=C12 Q60459 [0,1,0,1,0,0|1,0,1]=4 817 B12R2.1 OCC1C=CC2=C1C=CC=C2 K12008 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 A-725 [0,1,0,1,0,0|1,1,0]=4 819 B12R2.18 CC1=NC2=CC=CC=C2N1C Q68028 [0,1,0,1,0,0|1,0,1]=4 820 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 Q69563 [0,1,0,1,0,0|1,0,1]=4 821 B12R2.18 CN1C(I)=CC2=CC=CN=C21 P48432 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.18 CN1C2=CC=CC=C2N=C1Br O30651 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.18 CN1N=C2C=CC=CC2=C1Br O33236 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.18 CN1N=C2C=CC=CC2=C1I L14060 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.315 C#CC1=CC=CC2=C1C=CN2 Q55239 [0,1,0,1,0,0|1,0,1]=4 826 B12R2.315 C(=O)C1=CC=CC2=C1C=CN2 P49857 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.315 CNC1=CC=CC2=C1C=NN2 P44142 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.315 CNC1=CC=NC2=C1C=CN2 P43794 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.315 COC1=C2C=CNC2=CN=C1 P45704 [0,1,0,1,0,0|1,0,0]=3 830 B12R2.315 COC1=C2C=NNC2=NC=C1 O29433 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.315 COC1=C2NC=CC2=CN=C1 P48600 [0,1,0,1,0,0|1,0,0]=3 832 B12R2.315 COC1=C2NC=CC2=NC=C1 L18285 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.315 COC1=C2NN=CC2=CC=C1 N24646 [0,1,0,1,0,0|1,0,0]=3 834 B12R2.315 COC1=C2NN=NC2=CC=C1 O32430 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.315 COC1=C2OC=CC2=CC=C1 P36448 [0,1,0,1,0,0|0,0,0]=2 836 B12R2.315 COC1=CC=CC2=C1C=NN2 G-5560 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.315 COC1=CC=CC2=C1CCN2 O32260 [0,1,0,1,0,0|0,0,2]=4 838 B12R2.315 COC1=CC=CN2C=CN=C12 H-8704 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.315 COC1=CC=NC2=C1C=CN2 G-5297 [0,1,0,1,0,0|1,0,0]=3 840 B12R2.315 COC1=NC=CC2=C1C=CN2 M15271 [0,1,0,1,0,0|1,0,0]=3 841 B12R2.315 COC1=NC=CC2=C1C=NN2 O29511 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.315 COC1=NC=CC2=C1NC=C2 G-6657 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.315 COC1=NC=CC2=C1NN=C2 O29672 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.315 COC1=NC=CC2=C1OC=C2 Q51932 [0,1,0,1,0,0|1,0,0]=3 845 B12R2.315 N#CC1=CC=CC2=C1NC=C2 P34787 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.315 NCC1=C2SC=CC2=CC=C1 O30410 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.315 NCC1=C2SC=CC2=CC=C1 O30411 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.315 NCC1=CC=CC2=C1NC=C2 O33518 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.315 O=CC1=C2SC=CC2=CC=C1 O31750 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.315 OCC1=C2OC=CC2=CC=C1 G-7120 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.315 OCC1=CC=CC2=C1NC=C2 Q55306 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 Q55475 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 G-7764 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 F-4009 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.1081 BrC1=NC=CC2=C1C=CC=C2 O31180 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.1081 CC1=CN=CC2=C1C=CC=C2 O29973 [0,1,0,1,0,0|1,0,0]=3 857 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 L21175 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.1081 ClC1=CC=CC2=C1C=NC=C2 O31856 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.1081 ClC1=CN=CC2=C1C=CC=C2 O30742 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.1081 FC1=C2C=CC=NC2=CC=C1 O31627 [0,1,0,1,0,0|1,0,1]=4 861 B12R2.1081 FC1=CC=CC2=C1C=NC=C2 O31498 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.1081 IC1=C2N=CC=CC2=CC=C1 I-9510 [0,1,0,1,0,0|1,0,1]=4 863 B12R2.1081 IC1=NC=CC2=C1C=CC=C2 Q67671 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.1081 NC1=C2OCCOC2=CC=C1 C-2956 [0,1,0,1,0,0|1,0,1]=4 865 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [0,1,0,1,0,0|0,0,2]=4 866 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [0,1,0,1,0,0|1,0,1]=4 867 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [0,1,0,1,0,0|0,0,2]=4 868 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [0,1,0,1,0,0|0,0,2]=4 869 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 Q65380 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [0,1,0,1,0,0|1,0,1]=4 871 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [0,1,0,1,0,0|1,0,1]=4 872 B12R2.1081 O=C1COCC2=CC=CC=C12 C-2359 [0,1,0,1,0,0|1,0,0]=3 873 B12R2.1081 O=C1NCCC2=C1C=CC=C2 O30459 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.1081 OC1=CC=CC2=C1C=NC=C2 O31774 [0,1,0,1,0,0|2,0,0]=4 875 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 O30770 [0,1,0,1,0,0|2,0,0]=4 876 B12R2.1081 OC1=NC=CC2=C1C=CC=C2 P51313 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.2048 COC1=CC=CC=C1C2CO2 P45385 [0,1,0,1,0,0|0,0,2]=4 878 B12R2.2048 COC1=CC=CC=C1[C@H]2CO2 O33513 [0,1,0,1,0,0|0,0,2]=4 879 B12R2.2048 O=CC1=CC=CC=C1C2CC2 N25228 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.2028 CN1C=C(Br)C2=C1C=CC=C2 Q54271 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.2028 CN1C=C(Br)C2=C1C=CN=C2 P48589 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.2028 CN1C=C(Br)C2=C1C=NC=C2 P44726 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.2028 CN1C=C(Br)C2=CC=CN=C21 P45828 [0,1,0,1,0,0|2,0,0]=4 884 B12R2.2028 CN1C=C(I)C2=C1C=NC=C2 P48337 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.2028 CN1C=C(I)C2=CC=CN=C21 P45874 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.2028 CN1C=C(I)C2=CN=CC=C21 P46894 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.2028 CN1C=C(N)C2=CC=CN=C21 P47784 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 O31186 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 L14062 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.196 CC1=C2C=CN(C)C2=NC=C1 P45850 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.196 CC1=CNC2=C1C=CC=C2Br O30302 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.196 CC1=CNC2=C1C=CC=C2N L14881 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.196 CN1C=CC2=C(Br)C=CN=C21 L21530 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.196 CN1C=CC2=C(Br)C=NC=C21 P48094 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.196 CN1C=CC2=C(Br)N=CC=C21 P48575 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.196 CN1C=CC2=C(N)C=CN=C21 P44216 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.196 CN1C=CC2=C1C=CC=C2Br G-7713 [0,1,0,1,0,0|1,0,0]=3 898 B12R2.196 CN1C=CC2=C1C=CN=C2Cl P45847 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.196 CN1C=CC2=C1N=CC=C2Cl G-7552 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 O29823 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 C-2030 [0,1,0,1,0,0|2,0,0]=4 902 B12R2.196 CN1N=CC2=C(I)C=CC=C21 C-2034 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.196 CN1N=CC2=C1C=CC=C2F O31652 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.196 CN1N=CC2=C1C=CC=C2N C-2130 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.196 CN1N=CC2=C1C=CC=C2O O31278 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 E-3117 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C-2426 [0,1,0,1,0,0|2,0,0]=4 908 B12R2.196 O=C1CCC2=C1C=CC=C2F P36547 [0,1,0,1,0,0|2,0,0]=4 909 B12R2.196 O=C1COC2=C(Br)C=CC=C12 L22354 [0,1,0,1,0,0|1,0,0]=3 910 B12R2.196 O=C1COC2=C1C=CC=C2F S72794 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.196 O=C1CSC2=C(F)C=CC=C12 L19573 [0,1,0,1,0,0|1,1,0]=4 912 B12R2.203 CC1=CC=CC2=C1N(C)C=C2 P37403 [0,1,0,1,0,0|1,0,0]=3 913 B12R2.203 CC1=CNC2=C1C(F)=CC=C2 Q55308 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 Q55294 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 L13715 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.203 CC1=CNC2=CC=CC(N)=C12 L13255 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.203 CN1C=CC2=C1C(Br)=CC=N2 P48048 [0,1,0,1,0,0|2,0,0]=4 918 B12R2.203 CN1C=CC2=C1C(Br)=CN=C2 P48151 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.203 CN1C=CC2=C1C(Br)=NC=C2 P48484 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.203 CN1C=CC2=C1C(Cl)=CC=N2 P47897 [0,1,0,1,0,0|2,0,0]=4 921 B12R2.203 CN1C=CC2=C1C(Cl)=NC=C2 P44052 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.203 CN1C=CC2=CC=CC(N)=C21 Q64776 [0,1,0,1,0,0|1,0,0]=3 923 B12R2.203 CN1N=CC2=C1C(F)=CC=C2 L14710 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.203 CN1N=CC2=C1C(N)=CC=C2 C-2140 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.203 CN1N=CC2=C1C(O)=CC=C2 O29395 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 C-2076 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 O30109 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.203 O=C1COC2=CC=CC(Br)=C12 P51087 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.11 CC1=C(C=O)C=CS1 O30366 [1,0,0,0,1,0|2,0,0]=4 930 B8R1.11 CC1=CSC=C1C=O L14435 [1,0,0,0,1,0|2,0,0]=4 931 B8R1.11 COC1=CSC=C1N O29276 [1,0,0,0,1,0|2,0,0]=4 932 B8R1.11 COC1=CSC=C1N O29280 [1,0,0,0,1,0|2,0,0]=4