0 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 Q54991 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 G-7164 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(=O)C1=NC=C(F)C=N1 O30210 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 L13130 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CC(C)C1=NC=C(N)C=C1 G-7522 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC(N)C1=NC=C(F)C=C1 C-3369 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.13 CC1=CN=C(C(=N)N)N=C1 Q51997 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 CC1=NC=C(B(O)O)C=C1 Q66950 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 I-9184 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 L13164 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.13 CN(C)C1=CC=C(Br)N=C1 O30431 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.13 CN(C)C1=NC=C(Br)C=C1 P39265 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.13 CN(C)C1=NC=C(I)C=C1 N26187 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.13 CN(C)C1=NC=C(N)C=C1 I-9568 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.13 C[C@@H](O)C1=NC=C(Br)C=C1 Q62335 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 O32464 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Q62334 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.13 FC(F)C1=CC=C(Br)C=C1 P37690 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.13 N=C(N)C1=CC=C(Br)N=C1 Q52330 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.13 N=C(N)C1=CC=C(N)C=N1 Q58199 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.13 N=C(N)C1=CN=C(F)C=C1 G-5718 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 Q52329 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 G-5717 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.13 N=C(N)C1=NC=C(F)C=C1 C-2886 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 O31863 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.13 NC(=O)C1=NN=C(N)C=C1 G-7026 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 NC1=CC=C(B(O)O)C=C1 Q66344 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 NC1=CC=C(C(F)F)C=C1 M23361 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.13 O=[N+]([O-])C1=CC=C(Br)N=C1 E-3076 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 10648 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 O30344 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.13 OB(O)C1=CC=C(S)C=C1 P39473 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.1 C#CC1=CC=C(Br)C=C1 P36174 [1,0,0,0,0,0|1,0,2]=4 87 B9R1.1 C#CC1=CC=C(Cl)C=C1 C-3288 [1,0,0,0,0,0|1,0,2]=4 88 B9R1.1 C#CC1=CC=C(I)C=C1 P36173 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.1 C#CC1=NC=C(C)C=C1 O30107 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 C(=O)C1=CN=C(Cl)N=C1 C-3437 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 C=CC1=CN=C(Br)C=C1 Q62407 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.1 C=CC1=CN=C(C)C=C1 L13585 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.1 C=CC1=CN=C(F)C=C1 L14939 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.1 C=CC1=CN=C(F)C=C1 O29601 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.1 C=CC1=NC=C(Cl)C=C1 O33380 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.1 CC1=CN=C(C=O)C=N1 O30472 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 CC1=CN=C(C=O)N=C1 G-6319 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [1,0,0,0,0,0|1,0,2]=4 103 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.1 CC1=NC=C(C=O)C=N1 A-729 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 CNC1=CC=C(F)C=N1 Q58345 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 CNC1=NC=C(Br)C=C1 P35851 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 COC1=CN=C(F)C=C1 N24701 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 COC1=NC=C(F)C=C1 P37735 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 COC1=NC=C(I)C=C1 Q67264 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 COC1=NC=C(O)C=C1 Q67584 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 CSC1=CN=C(Br)C=C1 N24931 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 CSC1=CN=C(F)C=C1 N26916 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 CSC1=NC=C(Br)C=C1 Q66696 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 CSC1=NC=C(Cl)C=C1 N24817 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 N#CC1=CC=C(S)C=C1 O30392 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.1 NC1=CN=C(C=O)C=N1 P51620 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 NNC1=CC=C(Br)C=C1 P38159 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 NNC1=CC=C(F)C=C1 P38478 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.1 O=CC1=CN=C(Br)N=C1 Q53659 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 O=CC1=NC=C(Br)C=N1 G-6054 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 O=CC1=NC=C(Cl)N=C1 I-9606 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 O=CC1=NC=C(F)C=N1 G-7866 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 O=CC1=NN=C(Cl)C=C1 G-7962 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [1,0,0,0,0,0|1,0,2]=4 147 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 O28118 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.3 C#CC1=CC=C(C(=O)O)C=N1 Q53214 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 O27991 [0,1,0,0,0,0|0,0,1]=2 173 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 O27944 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 S86243 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,1,0,0,0,0|0,0,0]=1 176 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 P35710 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.3 CC(N)C1=CC=C(CO)C=C1 P38103 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 P37663 [0,1,0,0,0,0|0,0,3]=4 180 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.3 CCC1=CC=C(C(C)N)C=C1 P41160 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.3 CCC1=CC=C(C(C)O)C=C1 M22873 [0,1,0,0,0,0|0,0,2]=3 183 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.3 CN(C)C1=CC=C(CN)C=C1 P40156 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O28119 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.3 CN(C)C1=NC=C(CCl)C=C1 L19285 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.3 CN(C)C1=NC=C(CO)C=C1 Q67746 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.3 CNC1=CC=C(N(C)C)C=C1 P37575 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 P50006 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.3 CNC1=CC=C([N+](=O)[O-])N=C1 Q58201 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.3 COC1=CC=C(C(N)=S)C=N1 O31104 [0,1,0,0,0,0|2,1,0]=4 193 B11R1.3 COC1=CN=C(C(=O)O)C=C1 Q68348 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.3 COC1=CN=C(C(=O)O)N=C1 Q52332 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.3 COC1=CN=C([C@@H](C)N)C=C1 Q62470 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 P43237 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 P38941 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 P43253 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 E-3027 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 P37128 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.3 NCC1=CC=C(B(O)O)C=C1 O30152 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 P50970 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 G-5405 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 A-701 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 P44354 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.3 O=CC1=CC=C(C(=O)O)C=N1 Q62284 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 Q60215 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.3 O=[N+]([O-])C1=NC=C(CBr)C=C1 Q65377 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 G-6969 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 P40451 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 P42464 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 P40452 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 O30550 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 P42234 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 P39871 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 P36818 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.19 CC1=CC=C(C(C)(C)N)C=N1 Q58436 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.19 CC1=CC=C(C(C)(C)O)C=N1 O33635 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 Q54175 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 B-1765 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 B-1766 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 G-6636-1 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H-8848 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 L14045 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O32785 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P45972 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P48341 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P50560 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q54491 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q56087 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q56091 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q69557 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 G-7786 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 Q58484 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 F-4632 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 S72495 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 M15585 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 N25776 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.21 CC(C)C1=CC=C(Cl)C(Br)=C1 Q67346 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.21 CC(C)C1=CC=C(Cl)C(O)=C1 Q67377 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.21 CC(C)C1=CC=C(I)C(Br)=C1 Q67564 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.21 CC(C)C1=CC=C(O)C(Br)=C1 Q67536 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.21 CC(N)C1=CC=C(Cl)C(Cl)=C1 P36289 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.21 CC(N)C1=CC=C(Cl)C(F)=C1 P36050 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.21 CC(N)C1=CC=C(F)C(F)=C1 P39119 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.21 CC(O)C1=CC=C(F)C(Br)=C1 Q67058 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.21 CC1=C(Br)N=C(C(=O)O)C=C1 Q53116 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 N25142 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.21 CC1=CC(C(=O)Cl)=NC=C1Br N27305 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.21 CC1=CC(C(N)=O)=CC=C1N M15755 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br N25351 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.21 CC1=CC=C(B(O)O)C=C1Br Q67305 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.21 CC1=CC=C(B(O)O)C=C1N Q66342 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.21 CC1=CC=C(B(O)O)C=C1N Q66343 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.21 CC1=CC=C(C(C)O)C=C1C M22902 [0,1,0,0,0,0|0,0,2]=3 275 B11R1.21 CC1=CC=C(N(C)C)C=C1Br N25454 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl Q52680 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.21 CC1=CN=C(C(=O)O)C=C1N Q53529 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.21 CC1=NC(C(=O)Cl)=CC=C1Br N27313 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br N25229 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1Br C-2417 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1N G-6572 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O Q56568 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.21 CN1C=CC(C(=O)O)=CC1=O C-2302 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.21 CN1C=CC(C(N)=O)=CC1=O I-9710 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 O30355 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 O30426 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.21 NC(=O)C1=CC(F)=C(Cl)N=C1 O29836 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.21 NC(=O)C1=NC(Br)=C(F)C=C1 O31506 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br L13873 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.21 NC1=CC([N+](=O)[O-])=CC=C1S K12275 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 C-3764 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 O31712 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 L13055 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 O31936 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 O33279 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 L18290 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 F-4046 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 Q65591 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.21 O=C(O)C1=NC=C(Cl)C(Cl)=C1 Q60752 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 P45931 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(O)=C1 O31196 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.22 C#CC(=O)C1=CC=C(Cl)C=C1 P39524 [0,1,0,0,0,0|1,0,1]=3 315 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 P38144 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.22 CC(C#N)C1=CC=C(F)C=C1 P37672 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.22 CC(NN)C1=CC=C(Br)C=C1 L20939 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 L20940 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [0,1,0,0,0,0|0,0,1]=2 322 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,1,0,0,0,0|0,0,0]=1 323 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 P40085 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [0,1,0,0,0,0|1,0,1]=3 328 B11R1.22 CC1=NC=C(C(=O)CBr)C=C1 Q52597 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.22 CCC(=O)C1=NC=C(C)C=N1 O29473 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [0,1,0,0,0,0|1,0,2]=4 334 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.22 CNC(=O)C1=CC=C(Br)N=C1 P35629 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.22 CNC(=O)C1=CC=C(N)N=C1 S72671 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 P50985 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.22 CNC(=O)C1=NC=C(O)C=C1 O30530 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 C-3291 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.22 COC(=O)C1=CC=C(N)C=N1 C-2286 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 Q64835 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 C-2772 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 O30862 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.22 COC(=O)C1=NC=C(C)C=N1 G-5731 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Q54927 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.22 COC(=O)C1=NC=C(F)C=N1 O34307 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.22 COC(=O)C1=NC=C(N)C=N1 C-2775 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.22 COC(=O)C1=NC=C(N)C=N1 G-5008 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.22 COC(=O)C1=NC=C(O)C=C1 G-5601 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.22 COC(=O)C1=NC=C(O)C=N1 Q55461 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.22 COC(=O)C1=NN=C(N)C=C1 G-5477 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 P38182 [0,1,0,0,0,0|1,0,2]=4 366 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 P38165 [0,1,0,0,0,0|1,0,2]=4 367 B11R1.22 NCC(O)C1=CC=C(F)C=C1 P38012 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.22 NNC(=O)C1=CC=[N+]([O-])C=C1 L19826 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 P35986 [0,1,0,0,0,0|1,0,1]=3 377 B11R1.166 C=C(C)C1=CN=C(Cl)C=C1Cl O32627 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [0,1,0,0,0,0|0,0,0]=1 380 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl O30258 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1N Q69764 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl O32522 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl Q62398 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.166 CC(=O)C1=CN=C(Cl)N=C1Cl G-7473 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C O31315 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl O31321 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1Br O30236 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C O29675 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F O30130 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.166 CC(=O)C1=NC=C(F)C=C1Br O31291 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl O29749 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.166 CC(=O)C1=NC=C(F)C=C1F O32686 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.166 CC(C)C1=C(I)C=C(Cl)C=C1 N26662 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.166 CC(C)C1=CC=C(Cl)C=C1N Q68189 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.166 CC(N)C1=CC=C(F)C=C1F P37148 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Q57090 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.166 CC1=CC(Br)=CN=C1C(=O)Cl N24228 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O N25137 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O N26124 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O N25656 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 C-3216 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.166 CC1=CC(F)=NC=C1C(=O)O Q67322 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.166 CC1=CC(O)=CN=C1C(=O)O Q60879 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.166 CC1=CC=C(B(O)O)C(Br)=C1 N26773 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.166 CC1=CC=C(B(O)O)C(O)=C1 G-5911 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.166 CC1=CC=C(C(C)N)C(C)=C1 P42949 [0,1,0,0,0,0|1,0,1]=3 409 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=C1 Q67791 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=N1 Q68874 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Cl)=N1 P37412 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=N1 P40144 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 O31836 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 O31096 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 I-9719 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 O31639 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.166 CC1=CN=C([N+](=O)[O-])C(O)=C1 M15040 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.166 CC1=NC(Br)=C(C(=O)O)C=N1 H-8399 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O N26103 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O N25033 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.166 CC1=NC(F)=CC=C1C(=O)O Q67993 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.166 CC1=NC(O)=CC=C1C(=O)O Q52564 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 H-8401 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.166 CC1=NC=C([N+](=O)[O-])C(Cl)=C1 Q52097 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.166 CN(C)C1=C(Cl)C=C(Br)C=C1 N26369 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl O30415 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)N=C1 H-8999 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 N24181 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 F-4223 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 O32779 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl Q68006 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Br Q68008 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl Q67952 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.166 NC(=O)C1=CC=C(O)C=C1F O30471 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F O31169 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N C-3698 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F O30034 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O C-2276 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6102 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6103 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O I-9422 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.166 NC1=CC(F)=C(C(=O)O)N=C1 Q55031 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.166 NC1=CC(F)=CN=C1C(=O)O O33092 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.166 NC1=CC(F)=NC=C1C(=O)O G-7587 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.166 NC1=CC(I)=CC=C1C(=O)O O32287 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.166 NC1=CC=C(C(=O)O)C(Br)=N1 Q64646 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O C-2357 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.166 NC1=NC(O)=CC=C1C(=O)O L19692 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl Q67951 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 F-4417 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 Q60904 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 G-6764 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=N1 Q60786 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br P37092 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br Q51864 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl N26004 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F O30248 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.166 O=C(O)C1=CC=C(F)C=C1O M22934 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.166 O=C(O)C1=CC=C(I)C=C1F P43484 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl Q66502 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl O32638 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.166 O=C(O)C1=CN=C(Br)C=C1I Q52323 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1I N27822 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl Q68112 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F G-7561 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br Q67790 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F O30677 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl O31562 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.166 O=C(O)C1=NC=C(O)C=C1F O29407 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1Br P50972 [0,1,0,0,0,0|3,0,0]=4 477 B11R2.34 BrC1=CC=C(C2CC2)C=C1 O30566 [0,0,0,1,0,0|2,0,1]=4 478 B11R2.34 BrC1=CC=C(C2CO2)C=C1 P38852 [0,0,0,1,0,0|1,0,2]=4 479 B11R2.34 CC1=CC=C(C2CN2)C=C1 P36371 [0,0,0,1,0,0|1,0,1]=3 480 B11R2.34 ClC1=CC=C(C2CN2)C=C1 P36104 [0,0,0,1,0,0|2,0,1]=4 481 B11R2.34 FC1=CC=C(C2CO2)C=C1 P40301 [0,0,0,1,0,0|1,0,2]=4 482 B11R2.34 NC1=CC=C(C2CC2)C=C1 P38877 [0,0,0,1,0,0|2,0,1]=4 483 B11R2.34 OC1=CC=C(C2CC2)C=C1 P42947 [0,0,0,1,0,0|2,0,1]=4 484 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,0,0,0,1,0|2,0,0]=3 485 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,0,0,0,1,0|2,0,0]=3 486 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,0,0,0,1,0|3,0,0]=4 487 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,0,0,0,1,0|2,0,0]=3 488 B9R1.35 CC(=O)C1=NC(Br)=CS1 Q68164 [0,0,0,0,1,0|3,0,0]=4 489 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,0,0,0,1,0|2,0,0]=3 490 B9R1.35 CC(=O)C1=NC=C(Br)S1 I-9633 [0,0,0,0,1,0|3,0,0]=4 491 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,0,0,0,1,0|2,0,0]=3 492 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,0,0,0,1,0|2,0,0]=3 493 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,0,0,0,1,0|3,0,0]=4 494 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,0,0,0,1,0|2,0,0]=3 495 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,0,0,0,1,0|2,0,0]=3 496 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,0,0,0,1,0|3,0,0]=4 497 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,0,0,0,1,0|2,0,1]=4 498 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,0,0,0,1,0|3,0,0]=4 499 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,0,0,0,1,0|2,0,0]=3 500 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,0,0,0,1,0|2,0,0]=3 501 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,0,0,0,1,0|3,0,0]=4 502 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,0,0,0,1,0|3,0,0]=4 503 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [0,0,0,0,1,0|3,0,0]=4 504 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,0,0,0,1,0|3,0,0]=4 505 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,0,0,0,1,0|3,0,0]=4 506 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,0,0,0,1,0|3,0,0]=4 507 B9R1.35 NC(=O)C1=CC=C(Br)N1 G-6434 [0,0,0,0,1,0|3,0,0]=4 508 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,0,0,0,1,0|3,0,0]=4 509 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,0,0,0,1,0|3,0,0]=4 510 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,0,0,0,1,0|3,0,0]=4 511 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,0,0,0,1,0|3,0,0]=4 512 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [0,0,0,0,0,1|2,0,0]=3 513 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [0,0,0,0,0,1|2,0,0]=3 514 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [0,0,0,0,0,1|2,0,0]=3 515 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [0,0,0,0,0,1|2,0,0]=3 516 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,0,0,0,0,1|1,0,0]=2 517 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,0,0,0,0,1|1,0,0]=2 518 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [0,0,0,0,0,1|2,0,1]=4 519 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [0,0,0,0,0,1|2,0,1]=4 520 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [0,0,0,0,0,1|2,0,1]=4 521 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [0,0,0,0,0,1|2,0,1]=4 522 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [0,0,0,0,0,1|2,0,1]=4 523 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [0,0,0,0,0,1|2,0,1]=4 524 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [0,0,0,0,0,1|2,0,1]=4 525 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,0,0,0,0,1|1,1,0]=3 526 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [0,0,0,0,0,1|3,0,0]=4 527 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,0,0,0,0,1|2,0,0]=3 528 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,0,0,0,0,1|3,0,0]=4 529 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,0,0,0,0,1|3,0,0]=4 530 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,0,0,0,0,1|3,0,0]=4 531 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,0,0,0,0,1|3,0,0]=4 532 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,0,0,0,0,1|3,0,0]=4 533 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,0,0,0,0,1|3,0,0]=4 534 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [2,0,0,0,0,0|2,0,0]=4 535 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [2,0,0,0,0,0|2,0,0]=4 536 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.2 C=CC1=CC=CN=C1 O30687 [2,0,0,0,0,0|1,0,1]=4 540 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,1]=4 541 B8R1.3 CC1=CC=C(F)C=N1 P38896 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.3 CC1=CN=C(I)C=C1 O29967 [2,0,0,0,0,0|2,0,0]=4 543 B8R1.3 CC1=NNC(=O)C=C1 I-9165 [2,0,0,0,0,0|2,0,0]=4 544 B8R1.3 O=C1C=CC(Cl)=CN1 F-4339 [2,0,0,0,0,0|2,0,0]=4 545 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.1 C=COC1=CC=C(Br)C=C1 N25160 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.1 CCNC1=CC=C(Br)C=C1 P36614 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.1 CCNC1=CC=C(Cl)C=C1 P41554 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.1 CCNC1=CC=C(F)C=C1 O32514 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.1 CCNC1=CC=C(N)C=C1 P37237 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.1 CCOC1=CC=C(F)C=C1 M23303 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.3 C#CC1=CC=C(C=O)C=C1 P36909 [1,1,0,0,0,0|0,0,1]=3 561 B10R1.3 C#CC1=CC=C(CN)C=C1 O28144 [1,1,0,0,0,0|0,0,2]=4 562 B10R1.3 C#CC1=CC=C(CO)C=C1 O28046 [1,1,0,0,0,0|0,0,2]=4 563 B10R1.3 C#CC1=CC=C(NC)C=C1 M22819 [1,1,0,0,0,0|0,0,2]=4 564 B10R1.3 C(=O)C1=CN=C(SC)N=C1 L18112 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.3 C(=O)C1=NC=C(C#C)C=C1 Q52327 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.3 C(=O)C1=NC=C(C#N)C=C1 Q52328 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.3 CCC1=CC=C(CO)C=C1 Q68223 [1,1,0,0,0,0|0,0,1]=3 568 B10R1.3 CCC1=NC=C(C=O)C=C1 Q60469 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.3 CNC1=CC=C(CO)C=C1 P40364 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.3 CNC1=NC=C(C=O)C=C1 Q55452 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.3 CNC1=NC=C(C=O)C=N1 Q61059 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.3 COC1=CC=C(CBr)C=C1 Q67503 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.3 COC1=CC=C(CBr)C=N1 N25219 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.3 COC1=CC=C(CN)N=C1 Q52335 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.3 COC1=CC=C(NN)C=C1 P43291 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.3 COC1=CN=C(C=O)C=C1 N24757 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.3 COC1=CN=C(C=O)C=N1 O29829 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.3 COC1=CN=C(C=O)N=C1 I-9829 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.3 COC1=CN=C(CCl)C=C1 L13052 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.3 COC1=CN=C(CO)C=C1 I-9706 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.3 COC1=CN=C(OC)C=C1 Q67646 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.3 COC1=NC=C(C=O)C=N1 Q67228 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.3 COC1=NC=C(CN)C=C1 C-3721 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.3 COC1=NC=C(CN)C=C1 G-6806 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.3 COC1=NC=C(CO)C=C1 C-3532 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.3 CSC1=CC=C(NN)C=C1 O30693 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.3 CSC1=NC=C(C=O)C=C1 N24581 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.3 CSC1=NC=C(CO)C=C1 N25545 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.3 N#CC1=CC=C(CN)C=C1 P42878 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.3 N#CC1=CC=C(CO)C=C1 P35569 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.3 N#CC1=NC=C(C=O)C=C1 P43460 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.3 NCC1=CC=C(CBr)C=C1 P38676 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.3 NCC1=CC=C(CO)C=C1 P38312 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.3 O=CC1=CC=C(CBr)N=C1 Q62346 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.3 O=CC1=CC=C(CCl)C=C1 P45270 [1,1,0,0,0,0|0,0,0]=2 596 B10R1.3 O=CC1=CC=C(CO)C=C1 P37667 [1,1,0,0,0,0|0,0,0]=2 597 B10R1.3 OCC1=CC=C(CBr)C=C1 O28910 [1,1,0,0,0,0|0,0,2]=4 598 B10R1.3 OCC1=CC=C(CCl)C=C1 P40748 [1,1,0,0,0,0|0,0,2]=4 599 B10R1.25 C#CC1=CC=C(C)C=C1C P40859 [1,1,0,0,0,0|0,0,2]=4 600 B10R1.25 C(=O)C1=CC=C(C)N=C1Br Q64554 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.25 C(=O)C1=CC=C(Cl)N=C1Cl C-2303 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 C(=O)C1=CC=C(N)N=C1Br Q64645 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 CC1=C(C=O)C=NC(Cl)=C1 N24678 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 CC1=CC(Br)=CN=C1C=O N24312 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.25 CC1=CC(Br)=NC=C1C=O N26193 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 CC1=CC(Cl)=CC=C1C=O Q67549 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.25 CC1=CC(F)=CN=C1C=O Q60461 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 CC1=CC(F)=NC=C1C=O Q67340 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 CC1=CC(O)=CC=C1C=O Q68156 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.25 CC1=CC(O)=NC=C1C=O Q60311 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 CC1=CC=C(C#N)C(Cl)=C1 Q68084 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.25 CC1=CC=C(C=O)C(C)=N1 O30287 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.25 CC1=CC=C(C=O)C(F)=C1 Q67651 [1,1,0,0,0,0|0,0,0]=2 614 B10R1.25 CC1=CC=C(C=O)C(N)=N1 O30127 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.25 CC1=CC=C(CO)C(Br)=C1 N24923 [1,1,0,0,0,0|0,0,2]=4 616 B10R1.25 CC1=CC=C(CO)C(C)=C1 P40779 [1,1,0,0,0,0|0,0,2]=4 617 B10R1.25 CC1=CC=C(CO)C(Cl)=C1 N25728 [1,1,0,0,0,0|0,0,2]=4 618 B10R1.25 CC1=CC=C(CO)C(F)=C1 Q67939 [1,1,0,0,0,0|0,0,2]=4 619 B10R1.25 CC1=CC=C(CO)C(O)=C1 N25355 [1,1,0,0,0,0|0,0,2]=4 620 B10R1.25 CC1=CC=C(NO)C(Cl)=C1 O29263 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.25 CC1=CN=C(C=O)C(Br)=C1 N26488 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.25 CC1=CN=C(C=O)C(C)=C1 N25612 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.25 CC1=NC(Br)=CC=C1C=O N25138 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 CC1=NC(Cl)=CC=C1C=O Q67296 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 CC1=NC(F)=CC=C1C=O N26169 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 CC1=NC(O)=C(C=O)C=C1 Q60326 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.25 CC1=NC=C(C=O)C(N)=N1 H-8632 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 CCC1=CC=C(Cl)C=C1N O29377 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.25 CNC1=CC=C(C)C=C1F P37822 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.25 COC1=C(C)C=C(O)C=C1 N25234 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 COC1=C(Cl)C=C(I)C=C1 N24180 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 COC1=CC=C(Br)C=C1F I-9161 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 COC1=CC=C(Br)C=C1N Q67396 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 COC1=CC=C(C)C=C1F Q67608 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.25 COC1=CC=C(C)N=C1Br Q67211 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 COC1=CC=C(C)N=C1F N26378 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=CC=C(I)C=C1Br Q68173 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 COC1=CC=C(O)C=C1Br Q66991 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.25 COC1=CC=C(O)C=C1Cl Q67654 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 COC1=CC=C(O)C=C1F Q67009 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=NC=C(C)C=C1Br N25597 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 N26937 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 CSC1=C(Cl)C=C(O)C=C1 N27242 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 CSC1=CC=C(Br)C=C1C Q68080 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 CSC1=CC=C(Br)C=C1F Q67467 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.25 CSC1=CC=C(C)C=C1Br Q67598 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.25 CSC1=CC=C(Cl)C=C1Br N24474 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 CSC1=CC=C(F)C=C1Br Q67404 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 CSC1=CC=C(F)C=C1C N24243 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 CSC1=CC=C(F)C=C1F Q67753 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.25 CSC1=CC=C(F)C=C1O N25555 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 CSC1=CC=C(N)C=C1F O29735 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 CSC1=NC=C(C)C=C1Br N25458 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 Q69586 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.25 NC1=CC(Br)=CC=C1C=O O32309 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.25 NC1=CC(Br)=CN=C1C=O L21957 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 NC1=CC(Cl)=NC=C1C=O A-703 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 O=CC1=C(O)C=C(Br)N=C1 Q52264 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 O=CC1=CC=C(Br)C=C1O P39549 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.25 O=CC1=CC=C(Br)N=C1Br G-5429 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 O=CC1=CC=C(Br)N=C1Cl N26033 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 O=CC1=CC=C(Cl)C=C1O Q68512 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.25 O=CC1=CC=C(F)C=C1O L13983 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.25 O=CC1=CC=C(F)N=C1F Q66661 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 O=CC1=CC=C(I)C=C1F B-1785 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.25 O=CC1=CC=C(O)C=C1Cl P37350 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.25 O=CC1=CN=C(Br)C=C1Br O32520 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 O=CC1=CN=C(Br)C=C1Cl O32647 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl O32554 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 O=CC1=NC=C(Br)C=C1Br N24303 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 O=CC1=NC=C(Br)C=C1F H-8322 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 O=CC1=NC=C(Cl)C=C1Br N25492 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl P43267 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 O=CC1=NC=C(Cl)C=C1F O30025 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 O=CC1=NC=C(F)C=C1Br O29536 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 O=CC1=NC=C(F)C=C1Cl O29764 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.176 C=CC1=CC=C(F)C(F)=C1 P38224 [1,1,0,0,0,0|1,0,1]=4 678 B10R1.176 CC1=C(Br)N=CC(C=O)=C1 N24668 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.176 CC1=C(C)N=CC(C=O)=C1 Q67397 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Q66671 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 CC1=C(F)C=CC(C=O)=N1 L14295 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.176 CC1=C(F)N=CC(C=O)=C1 O30685 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [1,1,0,0,0,0|0,0,0]=2 684 B10R1.176 CC1=CC(C=O)=CC=C1Br K13407 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.176 CC1=CC(C=O)=CC=C1Cl Q67363 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.176 CC1=CC(C=O)=CC=C1O Q68150 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.176 CC1=CC(C=O)=CN=C1O Q60238 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.176 CC1=CC(C=O)=NC=C1Br N24978 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.176 CC1=CC(C=O)=NC=C1Cl N25470 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.176 CC1=CC=C(C#N)C=C1Cl P39756 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [1,1,0,0,0,0|0,0,0]=2 692 B10R1.176 CC1=CC=C(C=O)C=C1Cl Q67635 [1,1,0,0,0,0|0,0,0]=2 693 B10R1.176 CC1=CC=C(C=O)N=C1C Q60347 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.176 CC1=CC=C(CO)C=C1Br Q67930 [1,1,0,0,0,0|0,0,2]=4 695 B10R1.176 CC1=CN=C(C=O)C=C1Br H-8137 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.176 CC1=NC(C=O)=CC=C1Br N24846 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.176 CCC1=CC=C(F)C(Br)=C1 N24841 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.176 CCC1=CC=C(N)C(F)=C1 O34054 [1,1,0,0,0,0|1,0,1]=4 699 B10R1.176 CN1C=C(C=O)C=CC1=O S72506 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.176 CN1C=CC(C=O)=CC1=O I-9722 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.176 COC1=CC(=O)N(C)C=C1 O31429 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.176 COC1=CC=C(Br)C(I)=C1 Q68050 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.176 COC1=CC=C(Br)C(O)=C1 Q66993 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.176 COC1=CC=C(C)C(Br)=C1 N24125 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.176 COC1=CC=C(C)C(Cl)=N1 O32368 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.176 COC1=CC=C(C)C(F)=C1 Q67079 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.176 COC1=CC=C(F)C(I)=C1 N24584 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.176 COC1=CC=C(F)C(O)=C1 Q67529 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.176 COC1=CC=C(I)C(Br)=C1 Q67866 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.176 COC1=CC=C(N)C(I)=C1 Q52916 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.176 COC1=CC=C(N)C(O)=C1 M15200 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.176 COC1=CC=C(N)C(O)=C1 M15201 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.176 COC1=CN=C(C)C(Br)=C1 I-9994 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.176 COC1=NC=C(C)C(Br)=C1 Q62263 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.176 CSC1=CC(F)=C(F)C=C1 N24442 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.176 CSC1=CC(O)=C(F)C=C1 N27741 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.176 CSC1=CC=C(Br)C(C)=C1 N24368 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.176 CSC1=CC=C(Br)C(F)=C1 N24385 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.176 NC1=C(Cl)N=C(C=O)C=C1 Q52637 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.176 O=CC1=CC(Cl)=C(Cl)N=C1 N24947 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 Q60409 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.176 O=CC1=CC=C(F)C(O)=C1 Q67727 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 O29867 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [1,1,0,0,0,0|0,0,1]=3 729 B10R1.15 C=CC(=O)C1=CC=CC=N1 Q52779 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.15 C=CC(=O)C1=CC=CN=C1 Q52778 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.15 C=CC(=O)C1=CC=NC=C1 Q52777 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,1,0,0,0,0|0,0,2]=4 737 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.15 COC(=O)C1=CC=NC=N1 C-2227 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.15 COC(=O)C1=NC=CC=N1 C-3283 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [1,1,0,0,0,0|1,0,1]=4 745 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,1,0,0,0,0|0,0,2]=4 746 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,1,0,0,0,0|0,0,2]=4 747 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.15 O=C(CBr)C1=CN=CN=C1 Q54899 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.15 O=C(CBr)C1=NC=CC=N1 L22105 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.15 O=C(CBr)C1=NC=CC=N1 Q52568 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.15 O=C(CBr)C1=NC=NC=C1 P51516 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.15 O=C(CCl)C1=NC=CN=C1 L19661 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.28 NP(N)(=O)C1=CC=CC=C1 L19832 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.61 CC(=O)C1=CN=CN=C1C Q58769 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.61 CC(=O)C1=NC=CN=C1Cl G-7946 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.61 CC(Br)C1=CC=CC=C1F O31043 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.61 CC(Cl)C1=CC=CC=C1Cl P40025 [1,1,0,0,0,0|1,0,1]=4 769 B10R1.61 CC(N)C1=CC=CC=C1Br O34378 [1,1,0,0,0,0|1,0,1]=4 770 B10R1.61 CC(N)C1=CC=CC=C1Cl P38305 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.61 CC(N)C1=CC=CC=C1F P36297 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.61 CC(N)C1=CC=CC=C1N P38310 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.61 CN(C)C1=CC=CC=C1O P38469 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [1,1,0,0,0,0|0,0,2]=4 779 B10R1.61 C[C@H](N)C1=CC=CC=C1Br P51405 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [1,1,0,0,0,0|0,0,2]=4 781 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 N25046 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.61 NC(=O)C1=CC=NC=C1N O34515 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.61 NC(=O)C1=NC=CC=C1N C-3697 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.61 NC1=C(C(=O)O)C=CN=C1 G-6779 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.61 NC1=CC=CN=C1C(=O)O C-3331 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 G-5495 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 H-8359 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.61 O=C(O)C1=C(F)C=NC=C1 G-7559 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.61 O=C(O)C1=C(I)C=NC=C1 O31943 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.61 O=C(O)C1=NC=CC=C1F H-8045 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.113 CC(=O)C1=CC(C)=NC=N1 M15580 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.113 CC(=O)C1=NC=CC(C)=N1 Q65344 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 O30750 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 O30825 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.14 CC1=CC=C(C(=O)NN)O1 O31675 [0,1,0,0,1,0|2,0,0]=4 839 B10R1.14 COC(=O)C1=CC(Br)=CS1 G-5587 [0,1,0,0,1,0|2,0,0]=4 840 B10R1.14 COC(=O)C1=CC(Cl)=CN1 Q53057 [0,1,0,0,1,0|2,0,0]=4 841 B10R1.14 COC(=O)C1=CC(Cl)=CS1 L22458 [0,1,0,0,1,0|2,0,0]=4 842 B10R1.14 COC(=O)C1=CC=C(Br)N1 O30342 [0,1,0,0,1,0|2,0,0]=4 843 B10R1.14 COC(=O)C1=CC=C(Br)S1 G-5588 [0,1,0,0,1,0|2,0,0]=4 844 B10R1.14 COC(=O)C1=CC=C(N)O1 G-7080 [0,1,0,0,1,0|2,0,0]=4 845 B10R1.14 COC(=O)C1=CN(C)C=N1 O30861 [0,1,0,0,1,0|2,0,0]=4 846 B10R1.14 COC(=O)C1=CNC(Br)=C1 A-983 [0,1,0,0,1,0|2,0,0]=4 847 B10R1.14 COC(=O)C1=CSC(C)=N1 O34523 [0,1,0,0,1,0|2,0,0]=4 848 B10R1.14 COC(=O)C1=CSC(Cl)=C1 G-6180 [0,1,0,0,1,0|2,0,0]=4 849 B10R1.14 COC(=O)C1=NC=C(C)O1 L13687 [0,1,0,0,1,0|2,0,0]=4 850 B10R1.14 COC(=O)C1=NN(C)C=C1 K12251 [0,1,0,0,1,0|2,0,0]=4 851 B10R1.31 CCC1=CC=C(C(=O)O)S1 Q68130 [0,1,0,0,1,0|2,0,0]=4 852 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [0,1,0,0,1,0|2,0,0]=4 853 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 L19302 [0,1,0,0,1,0|2,0,0]=4 854 B10R1.59 CC(=O)C1=NN(C)C=C1Cl K12253 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.194 CC(=O)C1=CSC(Cl)=C1Cl L19589 [0,1,0,0,1,0|2,0,0]=4 856 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 O30456 [0,1,0,0,1,0|2,0,0]=4 857 B10R1.194 CC1=CNC(C(=O)O)=C1C C-3353 [0,1,0,0,1,0|2,0,0]=4 858 B12R1.4 C#CC1=CC=C(CC(=O)O)C=C1 P39766 [0,1,0,0,0,1|1,0,1]=4 859 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 P39368 [0,1,0,0,0,1|0,0,0]=2 860 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 O30894 [0,1,0,0,0,1|1,0,1]=4 861 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 P38663 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 L19340 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.4 COC1=CC=C(CC(=O)[O-])C=C1 Q66992 [0,1,0,0,0,1|1,0,0]=3 864 B12R1.4 COC1=CC=C(NC(C)C)C=C1 P40746 [0,1,0,0,0,1|1,0,1]=4 865 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 Q67288 [0,1,0,0,0,1|0,0,0]=2 866 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 P42337 [0,1,0,0,0,1|1,0,0]=3 867 B12R1.19 CC(=O)NC1=NC(C)=C(F)C=C1 Q52454 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.19 CC(=O)NC1=NC=C(Br)C(C)=C1 Q67230 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N P51427 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.19 CC1=CC=C(CN(C)C)C=C1Br N27159 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.19 CC1=CC=C(OC(C)C)C=C1Br Q67569 [0,1,0,0,0,1|1,0,1]=4 872 B12R1.19 CC1=CC=C(OC(C)C)C=C1I N27183 [0,1,0,0,0,1|1,0,1]=4 873 B12R1.19 CC1=CC=C(OC(C)C)C=C1O N26105 [0,1,0,0,0,1|1,0,1]=4 874 B12R1.19 O=C(O)CC1=CC=C(Br)C(Cl)=C1 P41923 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.19 O=C(O)CC1=CC=C(Br)C(F)=C1 S70897 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.19 O=C(O)CC1=CC=C(O)C(I)=C1 K12031 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 P42359 [0,1,0,0,0,1|1,0,0]=3 878 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 P36454 [0,1,0,0,0,1|1,0,0]=3 882 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [0,1,0,0,0,1|1,0,1]=4 883 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [0,1,0,0,0,1|1,0,0]=3 884 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 P36564 [0,1,0,0,0,1|1,0,0]=3 885 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [0,1,0,0,0,1|1,0,0]=3 886 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 P42360 [0,1,0,0,0,1|1,0,0]=3 887 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 P36483 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 P38972 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 P42008 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 O28109 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 O28686 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 M22620 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 P36491 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 P36490 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 P39557 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.20 O=C(O)C(=O)C1=CC=C(I)C=C1 P36018 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,1,0,0,0,1|1,0,1]=4 898 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,1,0,0,0,1|1,0,1]=4 899 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 P40728 [0,1,0,0,0,1|0,0,0]=2 900 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [0,1,0,0,0,1|1,0,0]=3 901 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 P37023 [0,1,0,0,0,1|1,0,0]=3 902 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 Q53249 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,1,0,0,0,1|0,0,0]=2 904 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 I-9270 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.49 NC1=CC=C(NC(=O)CO)C=C1 P40684 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 P37292 [0,1,0,0,0,1|2,0,0]=4 907 B12R1.49 O=C(CBr)CC1=CC=C(Cl)C=C1 O29303 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 P39650 [0,1,0,0,0,1|1,0,0]=3 909 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 P37721 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 L20915 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.106 CC1=CC=C(NS(C)(=O)=O)C=C1 L21041 [0,1,0,0,0,1|1,0,0]=3 912 B12R1.106 CS(=O)(=O)NC1=CC=C(Br)C=C1 P38115 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.106 CS(=O)(=O)NC1=CC=C(N)C=C1 P37596 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.233 CC(=O)NC1=NC=C(C)C=C1Br Q67776 [0,1,0,0,0,1|1,0,0]=3 915 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 H-8931 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.233 CC1=CC(Br)=CC=C1CC(=O)O P35776 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.233 CC1=CC=C(OC(C)C)C(Br)=C1 N24145 [0,1,0,0,0,1|1,0,1]=4 918 B12R1.233 CC1=NC(C)=C(CC(=O)O)C=C1 Q60611 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 M22822 [0,2,0,0,0,0|0,0,1]=3 920 B12R1.5 C#CC1=CN=C(C(=O)OC)C=C1 O30938 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 P35874 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.5 CCC(O)C1=CC=C(OC)C=C1 P37583 [0,2,0,0,0,0|0,0,2]=4 923 B12R1.5 CCC1=CC=C(C(=O)NN)C=C1 O30882 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.5 CCC1=CC=C(C(=O)OC)C=C1 Q68222 [0,2,0,0,0,0|0,0,0]=2 925 B12R1.5 CNC(=O)C1=CC=C(C#N)C=C1 P38527 [0,2,0,0,0,0|0,0,1]=3 926 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 O31510 [0,2,0,0,0,0|0,0,1]=3 927 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 O28734 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 I-9400 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 10790 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.5 COC(=O)C1=CC=C(OC)C=N1 Q56358 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 M23178 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 M15191 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 L14676 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 L13305 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 Q53696 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 Q57226 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.5 COC(=O)C1=CN=C(OC)N=C1 Q67509 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.5 COC(=O)C1=CN=C(SC)C=C1 O29122 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.5 COC(=O)C1=CN=C(SC)N=C1 O31159 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.5 COC(=O)C1=NC=C(C#N)C=C1 Q62332 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 O30091 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 P37418 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 P48338 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 P40807 [0,2,0,0,0,0|0,0,1]=3 945 B12R1.5 COC1=CC=C(C(N)CO)C=C1 P41432 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.5 COC1=CC=C(C(O)CN)C=C1 P37470 [0,2,0,0,0,0|0,0,2]=4 947 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 P43091 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.5 COC1=CC=C([C@H](N)CO)C=C1 P40188 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 P38704 [0,2,0,0,0,0|1,0,1]=4 950 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 P42415 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 O34513 [0,2,0,0,0,0|1,0,0]=3 952 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 P38076 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.6 CS(=O)(=O)C1=CC=C(CN)N=C1 Q62824 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.6 CS(=O)(=O)C1=CN=C(CN)C=C1 Q52679 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 P41439 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.6 O=S(=O)([O-])C1=CC=C(CBr)C=C1 A-991 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 N24734 [0,2,0,0,0,0|1,0,1]=4 958 B12R1.48 CC1=CC([N+](=O)[O-])=CC=C1CO P39598 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.48 CCC1=CN=C(C(=O)O)C=C1C S72490 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N O31571 [0,2,0,0,0,0|0,0,0]=2 961 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 P44401 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 A-739 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 S72635 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.48 COC1=C(O)C=C(C(=O)O)C=N1 Q60788 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [0,2,0,0,0,0|0,0,0]=2 966 B12R1.48 COC1=CC=C(C(C)C)C=C1Br Q67537 [0,2,0,0,0,0|1,0,1]=4 967 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl L21805 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.48 COC1=NC=C(C(=O)O)C=C1C N26013 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.48 CSC1=C(Cl)C=C(C(=O)O)C=C1 N25372 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C N25880 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.48 NC1=CC([N+](=O)[O-])=CC=C1CO P36068 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.48 NCC1=CC=C(C(=O)O)C=C1Cl P40738 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 N26294 [0,2,0,0,0,0|1,0,1]=4 974 B12R1.48 O=CC1=CC=C(C(=O)O)C=C1O P37037 [0,2,0,0,0,0|1,0,1]=4 975 B12R1.48 O=[N+]([O-])C1=CC=C(CO)C(Cl)=C1 O28090 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 P38512 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 P42866 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.113 CCOC1=NC=C(C(=O)O)C=C1 P34777 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 M23131 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 P34800 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.113 CNCC1=CC=C(C(N)=O)C=C1 P42469 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 P35884 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 P36718 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 P37127 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.113 O=CCC1=CC=C([N+](=O)[O-])C=C1 F-4000 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.256 C=C(C)C1=CN=C(C(=O)O)C=C1 K12258 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 P36717 [0,2,0,0,0,0|0,0,1]=3 988 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 O29701 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 H-8735 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 K12257 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.256 CC(N)C1=CC=C(C(=O)O)C=C1 O28758 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 P38148 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.256 CC(O)C1=CC=C(N(C)C)C=C1 P37588 [0,2,0,0,0,0|0,0,2]=4 994 B12R1.256 CC(O)C1=CC=C([N+](=O)[O-])C=C1 Q65977 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 P35906 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.256 CN(C)C1=CN=C(C(=O)O)C=C1 Q60887 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 P37424 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.256 O=C(O)C1=CN=C(C(F)F)C=C1 Q60713 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.256 O=C(O)C1=NC=C(C(F)F)C=C1 P43198 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.452 CC1=CC(C=O)=CC=C1C(=O)O N26360 [0,2,0,0,0,0|1,0,1]=4 1001 B12R1.452 CCC1=CC=C(C(=O)O)C(F)=C1 K12290 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.452 CCC1=CC=C(C(=O)O)C(N)=C1 K12293 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.452 COC1=CC(C)=C(C(=O)O)C=N1 Q67661 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P44270 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.452 COC1=CC=C(C(=O)O)C(C)=N1 N24695 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 N24433 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.452 COC1=CC=C(C(C)C)C(F)=C1 C-3733 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.452 COC1=CC=C(C(C)O)C(F)=C1 N25311 [0,2,0,0,0,0|0,0,2]=4 1009 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 M23146 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.452 COC1=CN=C(C(=O)O)C(C)=C1 Q60878 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 L13826 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 P51606 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.452 COC1=NC=C(C(=O)O)C(C)=C1 Q60522 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.452 CSC1=CC=C(C(=O)O)C(C)=C1 N26500 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.452 CSC1=NC=C(C(=O)O)C(C)=C1 N27762 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.452 CSC1=NC=C(C(C)=O)C(N)=N1 G-7516 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 L21511 [0,2,0,0,0,0|1,0,1]=4 1018 B12R1.452 NC1=C([N+](=O)[O-])C=CC(CO)=C1 Q53461 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.452 NCC1=CC=C(C(=O)O)C(Cl)=C1 P42290 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.452 O=[N+]([O-])C1=CC=C(CBr)C=C1F P43459 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.452 O=[N+]([O-])C1=CC=C(CO)C=C1Cl O28016 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.452 O=[N+]([O-])C1=CC=C(CO)C=C1F O28042 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 K12287 [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.23 CS(=O)(=O)C1=CC=C(F)C(Br)=C1 O30028 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.56 CC1=C(C#N)C=C(C(=O)O)C=C1 L20132 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 N24874 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.56 CC1=CC=C([N+](=O)[O-])C=C1C=O P40727 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.56 CC1=CC=C([N+](=O)[O-])C=C1NN O31998 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N Q60502 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.56 CCC1=C(Cl)C=CC(C(=O)O)=C1 N25337 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br Q66050 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl Q66690 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.56 COC1=CC(C(=O)O)=CC=C1F I-9256 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.56 CSC1=CC(C(=O)O)=CC=C1Br Q68596 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.56 CSC1=CC(C(=O)O)=CC=C1F N26479 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1Br P43210 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.232 CC(=O)C1=CC(Br)=C(Cl)C=C1N O32577 [0,2,0,0,0,0|1,0,0]=3 1040 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O Q65601 [0,2,0,0,0,0|0,0,0]=2 1041 B12R1.232 CC(=O)C1=CC(Cl)=C(Br)C=C1O Q69474 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.232 CC(=O)C1=CC(Cl)=C(Cl)C=C1O P39550 [0,2,0,0,0,0|1,0,0]=3 1043 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(F)=C1 N24864 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.232 CC1=C(C)C=C([N+](=O)[O-])C(Cl)=C1 O34333 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 N26358 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.232 CC1=C(Cl)C=C(F)C(C(=O)O)=C1 N26027 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.232 CC1=C(N)C=C(C(=O)O)C(Br)=C1 O34469 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.232 CC1=CC(Br)=C(Cl)C=C1C(=O)O N25847 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.232 CC1=CC(Br)=C(F)C=C1C(=O)O Q68706 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1Br N24915 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.232 CC1=CC(C(=O)O)=C(O)N=C1C Q60518 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O O34019 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.232 CC1=CC(C)=C([N+](=O)[O-])C=C1O O31427 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.232 CC1=CC(F)=C(Br)C=C1C(=O)O O29561 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.232 CC1=CC(F)=C([N+](=O)[O-])C=C1N O34087 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.232 NC(=O)C1=CC(F)=C(Br)C=C1F Q67969 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.232 NC(=O)C1=CC(F)=C(F)C=C1F P34764 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.232 NC1=CC(Br)=C(Cl)C=C1C(=O)O K16111 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.232 NC1=CC(Cl)=C(Br)C=C1C(=O)O H-8923 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1N H-8817 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.232 O=C(Cl)C1=CC(F)=C(Br)C=C1F N27818 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 N24640 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1Cl O29098 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Br N26034 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1F P39072 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.232 O=C(O)C1=CC(F)=C(O)C=C1F N25280 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.367 CC1=CC=C(C(=O)CBr)C=C1Br M15182 [0,2,0,0,0,0|0,0,0]=2 1068 B12R1.367 CC1=CC=C(C(N)CO)C=C1C P35197 [0,2,0,0,0,0|1,0,1]=4 1069 B12R1.367 CC1=CC=C(C(O)CN)C=C1C P36058 [0,2,0,0,0,0|0,0,2]=4 1070 B12R1.367 COC(=O)C1=CC(=O)N(C)C=C1 G-5326 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 Q62410 [0,2,0,0,0,0|1,0,0]=3 1072 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 Q52498 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.367 COC(=O)C1=CC(C)=C(O)C=N1 Q55500 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)N=C1 O30060 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 Q53688 [0,2,0,0,0,0|1,0,0]=3 1076 B12R1.367 COC(=O)C1=CC(F)=C(Br)N=C1 O31959 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.367 COC(=O)C1=CC(F)=C(Cl)N=C1 O30110 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.367 COC(=O)C1=CC(I)=C(Cl)N=C1 O30656 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 A-872 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.367 COC(=O)C1=CC=C(Br)C(C)=N1 N24924 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.367 COC(=O)C1=CC=C(Br)C(Cl)=C1 Q68563 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 Q68321 [0,2,0,0,0,0|0,0,0]=2 1083 B12R1.367 COC(=O)C1=CC=C(C)C(O)=C1 Q67777 [0,2,0,0,0,0|0,0,0]=2 1084 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=C1 Q68119 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.367 COC(=O)C1=CC=C(Cl)C(F)=C1 Q67920 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.367 COC(=O)C1=CC=C(F)C(Br)=C1 P35910 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.367 COC(=O)C1=CC=C(I)C(Br)=C1 P39374 [0,2,0,0,0,0|1,0,0]=3 1088 B12R1.367 COC(=O)C1=CC=C(I)C(O)=C1 O31949 [0,2,0,0,0,0|1,0,0]=3 1089 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 O32280 [0,2,0,0,0,0|1,0,0]=3 1090 B12R1.367 COC(=O)C1=CC=C(O)C(O)=N1 G-5826 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.367 COC(=O)C1=CC=C(S)C(N)=C1 H-8775 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.367 COC(=O)C1=CC=C(S)C(N)=C1 K16122 [0,2,0,0,0,0|1,0,0]=3 1093 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 C-3708 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.367 COC(=O)C1=CN=C(C)C(Br)=C1 O34001 [0,2,0,0,0,0|1,0,0]=3 1095 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 Q68803 [0,2,0,0,0,0|1,0,0]=3 1096 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 Q52518 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 N25901 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=C1 Q68217 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.367 COC(=O)C1=CN=C(F)C(C)=C1 N24133 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P44343 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 Q53133 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 G-7788 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 Q54997 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.367 COC(=O)C1=NC(Br)=C(Cl)C=C1 O30031 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.367 COC(=O)C1=NC(Br)=C(F)C=C1 O30005 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.367 COC(=O)C1=NC(C)=C(C)C=C1 Q52559 [0,2,0,0,0,0|1,0,0]=3 1107 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 L14114 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 F-4330 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 O31548 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.367 COC(=O)C1=NC(I)=C(N)C=C1 O30008 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 O34344 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 M15463 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 N24813 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 G-6494 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 G-5827 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 P38157 [0,2,0,0,0,0|1,0,0]=3 1117 B12R1.367 NCC(=O)C1=CC=C(F)C(F)=C1 P42286 [0,2,0,0,0,0|1,0,0]=3 1118 B12R1.893 CC(=O)C1=CC=C(F)C(F)=C1Br P43171 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1Cl N26904 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.893 CC1=C(C)C(C(=O)O)=CC=C1Br Q68239 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.893 CC1=C(Cl)C(C)=C(C(=O)O)C=C1 N27468 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.893 CC1=C(Cl)C(C)=C(C(N)=O)C=N1 L20891 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.893 CC1=C(Cl)C(Cl)=C(C(=O)O)C=C1 N26009 [0,2,0,0,0,0|1,0,0]=3 1124 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1C N26199 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1F N27139 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1Br M15788 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1F Q68366 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.893 CC1=C(F)C(Cl)=CC=C1C(=O)O Q68516 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.893 CC1=C(F)C(F)=CC=C1C(=O)O Q68145 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.893 CC1=CC=C(C(=O)Cl)C(F)=C1F Q68232 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.893 CC1=CC=C(C(=O)O)C(C)=C1F O29103 [0,2,0,0,0,0|1,0,0]=3 1132 B12R1.893 CC1=CC=C(C(N)=O)C(F)=C1F Q68233 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.893 CC1=NC=C(C(=O)O)C(C)=C1Cl Q60527 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F L14645 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 N26329 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 N25497 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Br)C=C1 N24966 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1Cl Q69535 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1F Q68384 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.893 O=C(O)C1=CC=C(Br)C(I)=C1F N26582 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F Q68659 [0,2,0,0,0,0|2,0,0]=4 1142 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Cl Q68315 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F Q68361 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1O Q68475 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1O Q67575 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F K13413 [0,2,0,0,0,0|2,0,0]=4 1147 B12R1.1005 CC(=O)C1=CC(Br)=C(N)C(Br)=C1 P51269 [0,2,0,0,0,0|1,0,0]=3 1148 B12R1.1005 CC(=O)C1=CC(O)=C(F)C(Br)=C1 Q68544 [0,2,0,0,0,0|1,0,0]=3 1149 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1Br Q68126 [0,2,0,0,0,0|1,0,0]=3 1150 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F Q68269 [0,2,0,0,0,0|1,0,0]=3 1151 B12R1.1005 CC1=CC(C(=O)O)=CC(=O)N1C S72603 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br N24980 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Cl N24535 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1F Q67678 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 L20638 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 N25181 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 Q68663 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.1005 O=C(O)C1=CC(Cl)=C(I)C(Cl)=C1 N25180 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(F)=C1 N26409 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(Br)=C1 Q68593 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 Q67975 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.1005 O=C(O)C1=CC(I)=C(O)C(I)=C1 P37039 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 P36618 [0,2,0,0,0,0|1,0,1]=4 1164 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 P42260 [0,2,0,0,0,0|1,0,1]=4 1165 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 P42755 [0,2,0,0,0,0|1,0,1]=4 1166 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 Q51912 [0,2,0,0,0,0|1,0,0]=3 1167 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 10446 [0,2,0,0,0,0|1,0,0]=3 1168 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 Q67365 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 G-5558 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 Q68117 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 Q68855 [0,2,0,0,0,0|1,0,0]=3 1172 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 P38001 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 P39888 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.16 N#CCC(=O)C1=CC=C(O)C=C1 P36522 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.16 O=C(\C=C\[O-])C1=CC=C(Cl)C=C1 L20997 [0,2,0,0,0,0|1,0,1]=4 1176 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 P35198 [0,2,0,0,0,0|1,0,1]=4 1177 B12R1.1703 CC1=CC=C(C(O)CN)C(C)=C1 P41631 [0,2,0,0,0,0|0,0,2]=4 1178 B12R1.1703 CCC(=O)C1=CC=C(F)C=C1Cl O29563 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.1703 CNC(=O)C1=NC=C(Br)C=C1C N24823 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 Q62372 [0,2,0,0,0,0|1,0,0]=3 1181 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=N1 Q56679 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 C-3675 [0,2,0,0,0,0|1,0,0]=3 1183 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 Q57231 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 Q67449 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 P44959 [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1Br N25439 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1C O29091 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.1703 COC(=O)C1=CC=C(C)C=C1Cl Q67996 [0,2,0,0,0,0|0,0,0]=2 1189 B12R1.1703 COC(=O)C1=CC=C(C)C=C1F P36301 [0,2,0,0,0,0|0,0,0]=2 1190 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl O31910 [0,2,0,0,0,0|1,0,0]=3 1191 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1Br P37321 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1C N25853 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1N C-2358 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.1703 COC(=O)C1=CC=C(F)N=C1C N26081 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F Q67310 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Br F-4587 [0,2,0,0,0,0|1,0,0]=3 1197 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl O30146 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl N24324 [0,2,0,0,0,0|1,0,0]=3 1199 B12R1.1703 COC(=O)C1=CC=C(O)C=C1F O29247 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1C N26797 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C N26194 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.1703 COC(=O)C1=CNC(=O)C=C1C Q57089 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C N24191 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl O31878 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F G-7655 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N L13676 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O P44325 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.1703 COC(=O)C1=NC=C(C)C=C1Br O30162 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br O31792 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1F O31157 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.1703 COC(=O)C1=NC=C(F)C=C1Br O31049 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C Q54929 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.1703 COC(=O)C1=NC=C(F)C=C1Cl O29980 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.1703 COC(=O)C1=NC=C(F)C=C1F O30901 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.1703 COC(=O)C1=NC=C(F)C=C1N Q52646 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.1703 COC(=O)C1=NC=C(N)C=C1Cl O29989 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.1703 COC(=O)C1=NC=C(N)C=C1F O31421 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.1703 COC(=O)C1=NC=C(O)C=C1Cl O29588 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.1703 COC(=O)C1=NC=C(O)C=C1F L21939 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl P36823 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F P36056 [0,2,0,0,0,0|1,0,0]=3 1222 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1Cl O31207 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.1703 O=C(CCl)C1=NC=C(Cl)C=C1Br O31046 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.1703 O=C(CCl)C1=NC=C(Cl)C=C1F O31020 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.1703 O=C(CCl)C1=NC=C(F)C=C1Cl O29530 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.1703 O=CC(=O)C1=CC=C(F)C=C1F P36005 [0,2,0,0,0,0|1,0,1]=4 1227 B12R1.57 CCC1=CC(Br)=CC=C1C(=O)O Q67851 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.57 CNC1=CC(F)=CC=C1C(=O)O M23715 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 Q60539 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 H-8631 [0,2,0,0,0,0|1,0,0]=3 1231 B12R1.57 COC1=C(C(C)=O)N=CC(Br)=C1 Q52488 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.57 COC1=CC(O)=CC=C1C(=O)O N25767 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.57 O=CC1=C(C(=O)O)C=CC(Br)=C1 P45016 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Br)=C1 N26183 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.1000 CC1=C(C(=O)O)C(F)=CC(Br)=C1 M15772 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.1000 CC1=C(C(=O)O)C(O)=CC(O)=C1 O32459 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.1000 CC1=CC(Br)=C(C(=O)O)C(Br)=C1 N25054 [0,2,0,0,0,0|1,0,0]=3 1238 B12R1.1000 CC1=CC(Br)=C(C(=O)O)C(F)=C1 N24898 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(=O)O Q68110 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 L14660 [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 N24218 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.1000 CC1=CC(Cl)=CC(C)=C1C(=O)O N25287 [0,2,0,0,0,0|2,0,0]=4 1243 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O Q68261 [0,2,0,0,0,0|2,0,0]=4 1244 B12R1.1000 NC(=O)C1=C(Br)C=C(Br)C=C1F N25065 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.1000 NC(=O)C1=C(F)C=C(Br)C=C1F Q67460 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.1000 NC1=CC(F)=CC(F)=C1C(=O)O O34476 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.1000 O=C(Cl)C1=C(Br)C=C(Br)C=C1F N27763 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F Q66918 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1Br Q67295 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1F N24580 [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1Br Q68433 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Br N27784 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.1000 O=C(O)C1=C(Cl)C=C(Br)C=C1Cl P39508 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Br N27782 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.1000 O=C(O)C1=C(Cl)C=C(F)C=C1Cl N26056 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1Cl O29213 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1F Q69983 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1Br N25333 [0,2,0,0,0,0|2,0,0]=4 1259 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [1,0,0,1,0,0|1,0,1]=4 1260 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|1,0,1]=4 1261 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [0,0,0,1,0,1|1,0,1]=4 1262 B12R2.606 CC1=CC2=C(C=C(C)N2)N=C1 P48100 [0,0,0,1,0,1|2,0,0]=4 1263 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 A-742 [0,0,0,1,0,1|2,0,0]=4 1264 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 Q69286 [0,0,0,1,0,1|2,0,0]=4 1265 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 L14421 [0,0,0,1,0,1|2,0,0]=4 1266 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 I-9602 [0,0,0,1,0,1|2,0,0]=4 1267 B12R2.606 CC1=CC2=C(C=CC(I)=C2)N1 Q55414 [0,0,0,1,0,1|2,0,0]=4 1268 B12R2.606 CC1=CC=C2N=C(Br)NC2=C1 O29529 [0,0,0,1,0,1|2,0,0]=4 1269 B12R2.606 CC1=CC=C2N=C(Br)SC2=C1 O30334 [0,0,0,1,0,1|1,1,0]=4 1270 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 Q64311 [0,0,0,1,0,1|2,0,0]=4 1271 B12R2.606 CC1=CN=C2NC(=O)CC2=C1 Q55134 [0,0,0,1,0,1|1,0,0]=3 1272 B12R2.606 CC1=CN=C2NC(C)=CC2=C1 P49574 [0,0,0,1,0,1|2,0,0]=4 1273 B12R2.606 CC1=NC2=C(C=CC(I)=C2)S1 L21650 [0,0,0,1,0,1|2,0,0]=4 1274 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 A-848 [0,0,0,1,0,1|2,0,0]=4 1275 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 A-856 [0,0,0,1,0,1|2,0,0]=4 1276 B12R2.606 CC1=NC2=CC(N)=CC=C2O1 O31906 [0,0,0,1,0,1|2,0,0]=4 1277 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 P51391 [0,0,0,1,0,1|2,0,0]=4 1278 B12R2.606 CC1=NC2=CC=C(N)C=C2O1 O31848 [0,0,0,1,0,1|1,0,1]=4 1279 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 P44528 [0,0,0,1,0,1|2,0,0]=4 1280 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 C-2304 [0,0,0,1,0,1|1,0,0]=3 1281 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 O30897 [0,0,0,1,0,1|2,0,0]=4 1282 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 P41149 [0,0,0,1,0,1|2,0,0]=4 1283 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 Q70042 [0,0,0,1,0,1|2,0,0]=4 1284 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 G-5187 [0,0,0,1,0,1|2,0,0]=4 1285 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 O30335 [0,0,0,1,0,1|2,0,0]=4 1286 B12R2.606 O=C1CC2=C(C=CC(F)=N2)N1 Q52847 [0,0,0,1,0,1|2,0,0]=4 1287 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 C-3428 [0,0,0,1,0,1|1,0,0]=3 1288 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 H-8082 [0,0,0,1,0,1|1,0,0]=3 1289 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 C-2386 [0,0,0,1,0,1|2,0,0]=4 1290 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 C-2792 [0,0,0,1,0,1|2,0,0]=4 1291 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 C-3445 [0,0,0,1,0,1|2,0,0]=4 1292 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 E-3094 [0,0,0,1,0,1|1,0,0]=3 1293 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 C-2428 [0,0,0,1,0,1|2,0,0]=4 1294 B12R2.606 O=C1CC2=CC(F)=NC=C2N1 Q53173 [0,0,0,1,0,1|2,0,0]=4 1295 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 Q55136 [0,0,0,1,0,1|2,0,0]=4 1296 B12R2.606 O=C1CC2=CC(O)=CN=C2N1 L14537 [0,0,0,1,0,1|2,0,0]=4 1297 B12R2.606 O=C1CC2=NC(Br)=CC=C2N1 G-5498 [0,0,0,1,0,1|2,0,0]=4 1298 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 C-3480 [0,0,0,1,0,1|2,0,0]=4 1299 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 A-639 [0,0,0,1,0,1|2,0,0]=4 1300 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 O30873 [0,0,0,1,0,1|2,0,0]=4 1301 B12R2.606 O=C1NC2=CC=C(O)C=C2N1 P38343 [0,0,0,1,0,1|2,0,0]=4 1302 B12R2.9 OCC1=CC=C(C2CC2)C=C1 O28315 [0,1,0,1,0,0|1,0,1]=4 1303 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 P37814 [0,1,0,1,0,0|1,0,1]=4 1304 B12R2.612 CC1=CC2=C(C=C1)C(I)=NN2 L13630 [0,1,0,1,0,0|2,0,0]=4 1305 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 L14882 [0,1,0,1,0,0|2,0,0]=4 1306 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P44314 [0,1,0,1,0,0|2,0,0]=4 1307 B12R2.612 CC1=CNC2=CC(N)=CC=C12 L13196 [0,1,0,1,0,0|2,0,0]=4 1308 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 G-6456 [0,1,0,1,0,0|2,0,0]=4 1309 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 C-2094 [0,1,0,1,0,0|2,0,0]=4 1310 B12R2.612 CC1=NNC2=CC(N)=CC=C21 C-2091 [0,1,0,1,0,0|2,0,0]=4 1311 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 O34341 [0,1,0,1,0,0|2,0,0]=4 1312 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 C-2439 [0,1,0,1,0,0|1,0,0]=3 1313 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 O31598 [0,1,0,1,0,0|1,0,0]=3 1314 B12R2.612 O=C1COC2=CC(Br)=CC=C12 F-4089 [0,1,0,1,0,0|1,0,0]=3 1315 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 P51039 [0,1,0,1,0,0|1,0,0]=3 1316 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 O32491 [0,1,0,1,0,0|1,0,0]=3 1317 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 M15861 [0,1,0,1,0,0|1,0,0]=3 1318 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 D-2558 [0,1,0,1,0,0|1,0,0]=3 1319 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 O32593 [0,1,0,1,0,0|2,0,0]=4 1320 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 L21981 [0,1,0,1,0,0|2,0,0]=4 1321 B8R1.1 C(=O)C1=CN(C)N=C1 A-905 [1,0,0,0,1,0|2,0,0]=4 1322 B8R1.1 C(=O)C1=CN=C(C)N1 F-4064 [1,0,0,0,1,0|2,0,0]=4 1323 B8R1.1 CC1=CC(C=O)=CS1 L14285 [1,0,0,0,1,0|1,0,0]=3 1324 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [1,0,0,0,1,0|1,0,0]=3 1325 B8R1.1 CC1=NC(C=O)=CO1 O30450 [1,0,0,0,1,0|2,0,0]=4 1326 B8R1.1 CC1=NC(C=O)=CS1 O30852 [1,0,0,0,1,0|2,0,0]=4 1327 B8R1.1 CC1=NC=C(C=O)S1 O31139 [1,0,0,0,1,0|2,0,0]=4 1328 B8R1.1 CN1C=CC(C=O)=N1 O31801 [1,0,0,0,1,0|2,0,0]=4 1329 B8R1.1 CN1C=NC(C=O)=C1 G-6087 [1,0,0,0,1,0|2,0,0]=4 1330 B8R1.1 CSC1=CC(C)=CS1 N26956 [1,0,0,0,1,0|2,0,0]=4 1331 B8R1.1 O=CC1=CC(Cl)=CS1 O30331 [1,0,0,0,1,0|2,0,0]=4 1332 B8R1.1 O=CC1=CC(I)=CN1 O30775 [1,0,0,0,1,0|2,0,0]=4 1333 B8R1.1 O=CC1=CC=C(Cl)S1 G-5619 [1,0,0,0,1,0|2,0,0]=4 1334 B8R1.1 O=CC1=CSC(Br)=C1 L22211 [1,0,0,0,1,0|2,0,0]=4 1335 B8R1.1 O=CC1=CSC(Cl)=C1 G-5623 [1,0,0,0,1,0|2,0,0]=4 1336 B8R1.7 CC(=O)C1=CNC=N1 P51504 [1,0,0,0,1,0|2,0,0]=4 1337 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [1,0,0,0,1,0|2,0,0]=4 1338 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [1,0,0,0,1,0|2,0,0]=4 1339 B8R1.7 NC(=O)C1=CC=CN1 P38018 [1,0,0,0,1,0|2,0,0]=4 1340 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [1,0,0,0,0,1|1,0,0]=3 1341 B10R1.18 CC(=O)NC1=NC=NC=C1 O29559 [1,0,0,0,0,1|2,0,0]=4 1342 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,0,0,0,0,2|1,0,0]=3 1343 B12R1.21 CC(=O)NCC1=NC=C(N)C=C1 O29811 [0,0,0,0,0,2|2,0,0]=4 1344 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 O32130 [0,0,0,0,0,2|1,0,0]=3 1345 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 P36503 [0,0,0,0,0,2|1,0,1]=4 1346 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,0,0,0,0,2|1,0,0]=3 1347 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [0,0,0,0,0,2|1,0,1]=4 1348 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,0,0,0,0,2|2,0,0]=4 1349 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,0,0,0,0,2|2,0,0]=4 1350 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,0,0,0,0,2|2,0,0]=4 1351 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,0,0,0,0,2|2,0,0]=4 1352 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,0,0,0,0,2|2,0,0]=4 1353 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [0,0,0,0,0,2|2,0,0]=4 1354 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [0,0,0,0,0,2|2,0,0]=4 1355 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,0,0,0,0,2|2,0,0]=4 1356 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,0,0,0,0,2|2,0,0]=4 1357 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,0,0,0,0,2|2,0,0]=4 1358 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,0,0,0,0,2|2,0,0]=4 1359 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,0,0,0,0,2|2,0,0]=4