0 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)NC1=NC=NC=C1 O29559 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.18 O=C(O)CC1=CC=NC=N1 Q51816 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 O=C(O)CC1=CN=CN=C1 O33591 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 O=C(O)CC1=CN=NC=C1 G-5165 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 O=C(O)CC1=NC=CC=N1 G-5171 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 O=C(O)CC1C=CCCC1 P45691 [0,0,0,0,0,0|0,0,4]=4 8 B10R1.18 O=C([O-])CC1=CC=NN=C1 L13382 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.18 O=C([O-])CC1=NC=CC=N1 Q51814 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 O=C([O-])CC1=NN=CC=C1 L13418 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CNCC1=CC=CN=C1 P35002 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 CNCC1=CC=NC=C1 P36555 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CNCC1=NC=CC=C1 P39822 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 N#CCC1=CC=NC=C1 P41732 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NNCC1=CC=CN=C1 O31533 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NNCC1=CC=NC=C1 C-3253 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 NNCC1=CC=NC=C1 L13556 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 NNCC1=CC=NC=C1 O32212 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 NNCC1=CN=CC=C1 C-3254 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 NNCC1=NC=CC=C1 C-3255 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 NNCC1=NC=CC=C1 O31423 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 O=C=NC1=NC=CC=C1 P43266 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 OCCC1=CC=CN=C1 O28068 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 OCCC1=CC=NC=C1 P37585 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 OCCC1=CC=NC=N1 Q56821 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 OCCC1=NC=CC=N1 Q56820 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.20 N=C(N)CC1=CC=C(F)N=C1 H-8033 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 F-4355 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 G-6586 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 L14934 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 O=C([O-])CC1=NC=C(Br)C=N1 Q56572 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.36 CC(C(=O)O)C1=CC=CN=C1 O29526 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.36 CC(C(=O)O)C1=NC=CC=C1 O29926 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Q63762 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.36 NC(C(=O)O)C1=CN=CN=C1 Q63768 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 Q63763 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.36 N[C@@H](C(=O)O)C1=CN=CN=C1 Q63769 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.36 N[C@H](C(=O)O)C1=CC=NC=C1 Q63764 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.36 N[C@H](C(=O)O)C1=CN=CN=C1 Q63770 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58337 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58338 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.40 C=CC(=O)NC1=CC=CC=N1 Q58307 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.40 C=CC(=O)NC1=CC=CN=C1 Q58308 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.40 COC(=O)CC1=CC=NN=C1 G-6745 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.40 COC(=O)CC1=NC=NC=C1 P44252 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.40 COC(=O)CC1=NN=CC=C1 G-6749 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.40 NNC(=O)CC1=CC=NC=C1 P36560 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.40 O=C(CCl)NC1=CC=CN=C1 P36081 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.86 CC(=O)CC1=NC=CC=C1Br Q58439 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.86 CC(=O)CC1=NC=CC=C1Cl Q58438 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.86 CC(N)CC1=C(O)C=CC=C1 L19732 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.86 CC1=C(CC(=O)O)C=CC=N1 H-8205 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.86 CC1=CC=NC=C1CC(=O)O Q60617 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.86 CN(C)CC1=CC=CC=C1Br Q68057 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.86 CN(C)CC1=CC=CC=C1N P40192 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.86 FC1=CC=CC=C1C=C(Br)Br P43279 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 Q60647 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.86 O=C(O)CC1=CC=CN=C1Cl G-5570 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.86 O=C(O)CC1=CC=NC=C1Cl Q60592 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.86 O=C(O)CC1=NC=CC=C1Br I-9578 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.86 O=C(O)CC1=NC=CC=C1O F-4648 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl L13128 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.86 OB(O)CC1=C(Cl)C=CC=C1 L20522 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 Q69806 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.157 CC1=CC(CB(O)O)=CC=C1 L20484 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 L21790 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 Q60602 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 M15842 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.157 CC1=CC=NC(CC(=O)O)=C1 Q52544 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.157 CC1=NC=CC(CC(=O)O)=C1 Q52656 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 C-3500 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 P42693 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.157 O=C(O)CC1=NC(F)=CC=C1 L21789 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.157 O=C(O)CC1=NC(O)=CC=C1 S72816 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 Q60753 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 Q60777 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 Q66541 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 Q52417 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.509 O=S(=O)(O)CC1=CC=CC=N1 Q62430 [0,1,0,0,0,0|2,0,0]=3 119 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [0,0,0,1,0,0|2,0,1]=4 120 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [0,0,0,1,0,0|2,0,1]=4 121 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.10 BrC1=CC2=NC=CC=C2O1 Q64356 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.10 CC1=NC2=C(C=CN=C2)O1 O34256 [0,0,0,1,0,0|3,0,0]=4 124 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 L14886 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 I-9534 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.10 ClC1=CC2=CC=CC=C2N1 D-2538 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.10 NC1=CC2=C(C=CC=C2)N1 O29924 [0,0,0,1,0,0|2,0,1]=4 128 B11R2.10 NC1=NC2=CC=CC=C2S1 O30669 [0,0,0,1,0,0|2,1,0]=4 129 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,0,0,1,0,0|2,0,0]=3 130 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,0,0,1,0,0|2,0,0]=3 131 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,0,0,1,0,0|2,0,0]=3 132 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,0,0,1,0,0|2,0,0]=3 133 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,0,0,1,0,0|2,0,0]=3 134 B11R2.10 O=C1CC2=CN=CN=C2N1 L13290 [0,0,0,1,0,0|3,0,0]=4 135 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,0,0,1,0,0|2,0,0]=3 136 B11R2.10 O=C1CN2C=CC=CC2=N1 O31095 [0,0,0,1,0,0|2,0,0]=3 137 B11R2.10 O=C1NC2=C(C=NC=C2)N1 Q65490 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.10 O=C1NC2=CC=CN=C2N1 Q70155 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,1,0|2,0,0]=3 141 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,0,0,0,1,0|3,0,0]=4 142 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [0,0,0,0,1,0|3,0,0]=4 143 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,0,0,0,1,0|3,0,0]=4 144 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,0,0,0,1,0|3,0,0]=4 145 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,0,0,0,1,0|3,0,0]=4 146 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,0,0,0,1,0|3,0,0]=4 147 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,0,0,0,1,0|3,0,0]=4 148 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [0,0,0,0,1,0|3,0,0]=4 149 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,0,0,0,1,0|2,0,0]=3 150 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,0,0,0,1,0|2,0,0]=3 151 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,0,0,0,1,0|2,0,0]=3 152 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,0,0,0,1,0|2,0,0]=3 153 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,0,0,0,1,0|2,0,0]=3 154 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,0,0,0,1,0|2,0,0]=3 155 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [0,0,0,0,1,0|2,0,1]=4 156 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,0,0,0,1,0|2,0,1]=4 157 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [0,0,0,0,1,0|2,0,1]=4 158 B9R1.6 OB(O)C1=CC=NC=C1 C-3686 [0,0,0,0,1,0|2,0,1]=4 159 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,0,0,0,1,0|1,0,0]=2 160 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [0,0,0,0,1,0|2,0,0]=3 161 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.13 O=C(O)CC1=CNN=C1 Q60477 [0,0,0,0,1,0|2,0,0]=3 163 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [0,0,0,0,1,0|2,0,0]=3 164 B9R1.13 O=C(O)CC1=NC=NN1 Q56325 [0,0,0,0,1,0|3,0,0]=4 165 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [0,0,0,0,1,0|2,0,0]=3 166 B9R1.13 O=C(O)CC1=NNC=N1 G-7884 [0,0,0,0,1,0|3,0,0]=4 167 B9R1.13 O=C(O)CN1C=NC=N1 O31828 [0,0,0,0,1,0|3,0,0]=4 168 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,1|1,0,1]=3 169 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [0,0,0,0,0,1|2,0,1]=4 170 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,0,1|1,0,0]=2 171 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,0,1|1,0,0]=2 172 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,0,0,0,0,1|1,0,0]=2 173 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [0,0,0,0,0,1|2,0,0]=3 174 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,0,1|1,0,0]=2 175 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [0,0,0,0,0,1|2,0,0]=3 176 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [0,0,0,0,0,1|2,0,0]=3 177 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,0,1|2,0,0]=3 178 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [0,0,0,0,0,1|1,0,0]=2 179 B11R1.91 O=C(O)CNC1=NC=CC=N1 P36004 [0,0,0,0,0,1|2,0,0]=3 180 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [0,0,0,0,0,1|1,0,0]=2 181 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [0,0,0,0,0,1|1,0,0]=2 182 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [0,0,0,0,0,1|1,0,0]=2 183 B11R1.91 O=C(O)COC1=NC=CC=N1 Q60596 [0,0,0,0,0,1|2,0,0]=3 184 B11R1.91 O=C(O)\C=C\C1=CC=NC=N1 Q58672 [0,0,0,0,0,1|2,0,1]=4 185 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 Q60664 [0,0,0,0,0,1|2,0,1]=4 186 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 O32453 [0,0,0,0,0,1|2,0,1]=4 187 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P50961 [0,0,0,0,0,1|1,0,2]=4 188 B8R1.2 BrCC1=CC=CN=C1 P36550 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 C=CC1=CC=CN=C1 O30687 [2,0,0,0,0,0|1,0,1]=4 195 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.2 NCC1=CC=NC=C1 O30621 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 OCC1=CC=CN=N1 C-2224 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 OCC1=CC=NC=N1 C-2228 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 OCC1=CC=NN=C1 C-2213 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 OCC1=CN=CC=N1 C-2217 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 OCC1=CN=CN=C1 C-2215 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 OCC1=NC=CC=N1 C-2220 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 C(=O)CC1=NC=C(Br)C=N1 Q52781 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 C=COC1=CC=C(Br)C=C1 N25160 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.1 OCCC1=NC=C(Br)C=C1 G-5598 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.1 OCCC1=NC=C(F)C=C1 O33379 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.4 C=CCC1=C(C)C=CN=C1 N26419 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.4 CC1=CC=CC=C1CCBr O28115 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.4 CNCC1=CC=CC=C1C P35580 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.4 CNCC1=CC=CC=C1N P40191 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.4 COCC1=CC=CC=C1Br Q67462 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.4 NCCC1=CC=CC=C1N P42500 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.4 NCCC1=CC=CC=C1O M22991 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.4 NNCC1=C(Br)C=CC=C1 G-5141 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.4 NNCC1=C(Br)C=CC=C1 Q51807 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.4 NNCC1=C(Cl)C=CC=C1 C-3252 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.4 NNCC1=C(F)C=CC=C1 C-3249 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 OC1=CC=CC=C1CCBr P37343 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.4 OCCC1=C(Cl)C=NC=C1 Q69549 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.4 OCCC1=CC=CC=C1O P36102 [1,1,0,0,0,0|0,0,1]=3 237 B10R1.4 OCCC1=NC=CC=C1F L14825 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.10 N#CCC1=CC=CC(N)=C1 P37983 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [1,1,0,0,0,0|0,0,1]=3 251 B10R1.10 NC1=CC(CCO)=NC=C1 Q53462 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.10 NNCC1=CC(Cl)=CC=C1 Q51809 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.10 NNCC1=CC(F)=CC=C1 C-3248 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.10 NNCC1=CC(F)=CC=C1 Q51806 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.10 NNCC1=CC=CC(Br)=C1 L20978 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.10 OCCC1=CC(F)=CN=C1 Q64578 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [1,1,0,0,0,0|0,0,1]=3 262 B10R1.10 OCCC1=NC(Cl)=CC=C1 Q69232 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.10 OCCC1=NC=CC(Br)=C1 S72505 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.17 OC\C=C\C1=CC=CN=C1 P51266 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,1,0,0,1,0|2,0,0]=4 281 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,1,0,0,1,0|2,0,0]=4 282 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,1,0,0,1,0|2,0,0]=4 283 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,1,0,0,1,0|2,0,0]=4 284 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [0,1,0,0,1,0|1,0,1]=4 289 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [0,1,0,0,1,0|1,0,1]=4 290 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [0,1,0,0,1,0|2,0,0]=4 292 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.13 NC1=CC=C(B(O)O)C=C1 Q66344 [0,1,0,0,1,0|1,0,1]=4 300 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,1,0,0,1,0|2,0,0]=4 302 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,1,0,0,1,0|1,0,0]=3 307 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,1,0,0,1,0|1,0,0]=3 312 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,1,0,0,1,0|1,0,0]=3 316 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,1,0,0,1,0|1,0,0]=3 318 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.13 OB(O)C1=CC=C(S)C=C1 P39473 [0,1,0,0,1,0|1,0,1]=4 321 B10R1.28 NP(N)(=O)C1=CC=CC=C1 L19832 [0,1,0,0,1,0|2,0,0]=4 322 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 M15399 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [0,1,0,0,1,0|2,0,0]=4 324 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [0,1,0,0,1,0|2,0,0]=4 326 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [0,1,0,0,1,0|2,0,0]=4 328 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [0,1,0,0,1,0|1,0,0]=3 333 B10R1.61 CC1=C(C(=O)O)C=NN=C1 G-5521 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.61 CC1=C(C(=O)O)N=NC=C1 L13035 [0,1,0,0,1,0|2,0,0]=4 335 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.61 CC1=CN=CN=C1C(=O)O O33331 [0,1,0,0,1,0|2,0,0]=4 337 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [0,1,0,0,1,0|1,0,0]=3 338 B10R1.61 CC1=NC=CN=C1C(=O)O G-5660 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [0,1,0,0,1,0|1,0,1]=4 340 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [0,1,0,0,1,0|1,0,1]=4 341 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [0,1,0,0,1,0|2,0,0]=4 342 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 N25046 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [0,1,0,0,1,0|2,0,0]=4 345 B10R1.61 NC(=O)C1=CC=NC=C1N O34515 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.61 NC(=O)C1=NC=CC=C1N C-3697 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.61 NC1=C(C(=O)O)C=CN=C1 G-6779 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.61 NC1=C(C(=O)O)N=CN=C1 Q57220 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.61 NC1=CC=CN=C1C(=O)O C-3331 [0,1,0,0,1,0|1,0,0]=3 351 B10R1.61 NC1=NN=CC=C1C(=O)O M15199 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [0,1,0,0,1,0|1,0,0]=3 355 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 G-5495 [0,1,0,0,1,0|1,0,0]=3 356 B10R1.61 O=C(O)C1=C(Br)N=CN=C1 H-8378 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 H-8359 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 H-8380 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.61 O=C(O)C1=C(F)C=NC=C1 G-7559 [0,1,0,0,1,0|1,0,0]=3 360 B10R1.61 O=C(O)C1=C(I)C=NC=C1 O31943 [0,1,0,0,1,0|1,0,0]=3 361 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [0,1,0,0,1,0|1,0,0]=3 362 B10R1.61 O=C(O)C1=CN=CNC1=O H-8379 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.61 O=C(O)C1=NC=CC=C1F H-8045 [0,1,0,0,1,0|1,0,0]=3 364 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [0,1,0,0,1,0|1,0,0]=3 365 B10R1.61 O=C(O)C1=NC=CN=C1Br S70901 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.61 O=C(O)C1=NC=CN=C1Cl G-5403 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.61 O=C(O)C1=NC=CN=C1I O29988 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.61 O=C(O)C1=NC=CN=C1O C-3727 [0,1,0,0,1,0|2,0,0]=4 369 B10R1.61 O=C(O)C1=NC=NC=C1Cl P51523 [0,1,0,0,1,0|2,0,0]=4 370 B10R1.61 O=C(O)C1=NC=NC=C1F O33158 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.61 OB(O)C1=CC=CC=C1I Q67114 [0,1,0,0,1,0|1,0,1]=4 372 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,1,0,0,1,0|2,0,0]=4 373 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,1,0,0,1,0|2,0,0]=4 374 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,1,0,0,1,0|2,0,0]=4 379 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P49779 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [0,1,0,0,1,0|1,0,0]=3 382 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.113 CC1=NC(C(=O)O)=NC=C1 L14301 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.113 CC1=NC=NC(C(=O)O)=C1 I-9646 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [0,1,0,0,1,0|1,0,0]=3 386 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,1,0,0,1,0|1,0,0]=3 389 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 O30750 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [0,1,0,0,1,0|1,0,0]=3 392 B10R1.113 NC1=NC=CC(C(=O)O)=N1 O31660 [0,1,0,0,1,0|2,0,0]=4 393 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [0,1,0,0,1,0|2,0,0]=4 394 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 O30825 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 G-6966 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 G-7305 [0,1,0,0,1,0|2,0,0]=4 398 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [0,1,0,0,1,0|1,0,0]=3 399 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [0,1,0,0,1,0|1,0,0]=3 400 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [0,1,0,0,1,0|1,0,0]=3 401 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [0,1,0,0,1,0|1,0,0]=3 402 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C-2323 [0,1,0,0,1,0|2,0,0]=4 403 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 O30875 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.113 O=C(O)C1=NC(O)=NC=C1 O30222 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [0,1,0,0,1,0|1,0,0]=3 407 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [0,1,0,0,1,0|1,0,0]=3 409 B10R1.113 O=C1C=C(C(=O)O)NC=N1 Q57219 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.113 OB(O)C1=CC=CC(I)=C1 Q66503 [0,1,0,0,1,0|1,0,1]=4 411 B10R1.23 CC(C(=O)O)N1C=CC=N1 S72600 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,1,0,0,1,0|1,0,0]=3 413 B10R1.23 NC(C(=O)O)C1=CC=CS1 O28791 [0,1,0,0,1,0|1,0,0]=3 414 B10R1.23 NC(C(=O)O)C1=CSC=C1 P38413 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 G-7084 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 P42365 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 P36827 [0,1,0,0,1,0|1,0,0]=3 418 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 P42364 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.27 COC(=O)CC1=CNC=N1 K13414 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.54 CC1=CN(CC(=O)O)N=C1 S72605 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.54 CN1C=CC(CC(=O)O)=N1 L19762 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.54 CN1C=CC(CC(=O)O)=N1 Q61773 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.54 CN1C=NC(CC(=O)O)=C1 L22317 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.54 C[N+]1=CN(CC(=O)O)C=C1 O34123 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.54 NC1=NC=C(CC(=O)O)S1 I-9028 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.54 O=C(O)CC1=CC(=O)NN1 F-4542 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.54 O=C(O)CC1=CC=C(Br)S1 O31012 [0,1,0,0,1,0|1,0,0]=3 428 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 G-6709 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 G-6000 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.54 O=C(O)CC1=NC=C(O)N1 F-4532 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.54 O=C(O)CC1=NNC(Br)=C1 Q61548 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.54 O=C(O)CN1C=C(F)C=N1 Q60928 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.64 CN1N=CC=C1CC(=O)O O32188 [0,1,0,0,1,0|2,0,0]=4 434 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,1,0,0,0,1|1,0,0]=3 435 B12R1.21 CC(=O)NCC1=NC=C(N)C=C1 O29811 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,1,0,0,0,1|0,0,0]=2 437 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,1,0,0,0,1|1,0,0]=3 438 B12R1.21 CC1=NC=C(OCC(=O)O)C=N1 Q60663 [0,1,0,0,0,1|2,0,0]=4 439 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,1,0,0,0,1|1,0,0]=3 440 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,1,0,0,0,1|1,0,0]=3 441 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,1,0,0,0,1|1,0,0]=3 442 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,1,0,0,0,1|1,0,0]=3 443 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [0,1,0,0,0,1|1,0,0]=3 445 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 Q53181 [0,1,0,0,0,1|1,0,0]=3 446 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,1,0,0,0,1|0,0,0]=2 447 B12R1.21 O=C(O)CCC1=CC=C(F)N=C1 O29534 [0,1,0,0,0,1|1,0,0]=3 448 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,1,0,0,0,1|0,0,0]=2 449 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,1,0,0,0,1|0,0,0]=2 450 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,1,0,0,0,1|0,0,0]=2 451 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,1,0,0,0,1|0,0,0]=2 452 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 Q60704 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 P51524 [0,1,0,0,0,1|1,0,1]=4 454 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 Q69909 [0,1,0,0,0,1|1,0,1]=4 455 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [0,1,0,0,0,1|1,0,1]=4 456 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [0,1,0,0,0,1|1,0,1]=4 457 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,1,0,0,0,1|1,0,1]=4 458 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,1,0,0,0,1|0,0,0]=2 459 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,1,0,0,0,1|0,0,0]=2 460 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [0,1,0,0,0,1|1,0,1]=4 461 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [0,1,0,0,0,1|1,0,1]=4 462 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Q58283 [0,1,0,0,0,1|2,0,0]=4 463 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,1,0,0,0,1|1,0,0]=3 464 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 P42031 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [0,1,0,0,0,1|1,0,1]=4 466 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,1,0,0,0,1|1,0,0]=3 467 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,1,0,0,0,1|1,0,0]=3 468 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,1,0,0,0,1|1,0,0]=3 469 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O Q60744 [0,1,0,0,0,1|2,0,0]=4 470 B12R1.43 CC(CC1=NC=NC=C1)C(=O)O Q60710 [0,1,0,0,0,1|2,0,0]=4 471 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,1,0,0,0,1|0,0,0]=2 472 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O P51664 [0,1,0,0,0,1|1,0,1]=4 473 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Q63780 [0,1,0,0,0,1|2,0,0]=4 474 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [0,1,0,0,0,1|1,0,0]=3 475 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [0,1,0,0,0,1|1,0,0]=3 476 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [0,1,0,0,0,1|1,0,0]=3 477 B12R1.43 N[C@@H](CC1=CN=CN=C1)C(=O)O Q63782 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [0,1,0,0,0,1|1,0,0]=3 479 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [0,1,0,0,0,1|1,0,0]=3 480 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [0,1,0,0,0,1|1,0,0]=3 481 B12R1.43 N[C@H](CC1=CN=CN=C1)C(=O)O Q63781 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [0,1,0,0,0,1|1,0,0]=3 483 B12R1.43 O=C(O)C(=O)CC1=CC=CC=N1 Q58255 [0,1,0,0,0,1|1,0,0]=3 484 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [0,1,0,0,0,1|1,0,1]=4 485 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 Q58319 [0,1,0,0,0,1|1,0,1]=4 486 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,1,0,0,0,1|1,0,0]=3 487 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,1,0,0,0,1|1,0,0]=3 488 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,1,0,0,0,1|0,0,0]=2 489 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 S72633 [0,1,0,0,0,1|2,0,0]=4 490 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 P37013 [0,1,0,0,0,1|1,0,0]=3 491 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 P38684 [0,1,0,0,0,1|1,0,0]=3 492 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 P41103 [0,1,0,0,0,1|1,0,0]=3 493 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [0,1,0,0,0,1|1,0,0]=3 494 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 Q60514 [0,1,0,0,0,1|1,0,0]=3 495 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [0,1,0,0,0,1|0,0,0]=2 496 B12R1.125 CC1=CC=NC=C1CCC(=O)O Q60489 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.125 CC1=CN=CC=C1CCC(=O)O Q60512 [0,1,0,0,0,1|1,0,0]=3 498 B12R1.125 CC1=NC=NC=C1CCC(=O)O Q60696 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.125 NC(=O)CCC1=CC=CC=C1Br P37474 [0,1,0,0,0,1|1,0,0]=3 500 B12R1.125 NC1=CC=CC=C1CCC(=O)[O-] M22770 [0,1,0,0,0,1|0,0,1]=3 501 B12R1.125 O=C(O)CCC1=CC=NC=C1Cl Q60724 [0,1,0,0,0,1|1,0,0]=3 502 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [0,1,0,0,0,1|0,0,0]=2 503 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [0,1,0,0,0,1|0,0,0]=2 504 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [0,1,0,0,0,1|0,0,0]=2 505 B12R1.125 O=C(O)COC1=NC=CC=C1F Q70039 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 O30062 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [0,1,0,0,0,1|0,0,0]=2 509 B12R1.226 CC1=CC(CCC(=O)O)=CC=N1 Q60479 [0,1,0,0,0,1|1,0,0]=3 510 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 Q60486 [0,1,0,0,0,1|1,0,0]=3 511 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 Q60480 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.226 CC1=CC(NCC(=O)O)=NC=N1 Q58536 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [0,1,0,0,0,1|0,0,0]=2 514 B12R1.226 CC1=NC(CCC(=O)O)=CC=C1 Q60488 [0,1,0,0,0,1|1,0,0]=3 515 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=C1 Q60610 [0,1,0,0,0,1|1,0,1]=4 516 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [0,1,0,0,0,1|1,0,0]=3 517 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 O29533 [0,1,0,0,0,1|1,0,0]=3 518 B12R1.226 O=C(O)CCC1=CC(F)=CN=C1 Q60660 [0,1,0,0,0,1|1,0,0]=3 519 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [0,1,0,0,0,1|0,0,0]=2 520 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [0,1,0,0,0,1|0,0,0]=2 521 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 Q60481 [0,1,0,0,0,1|1,0,0]=3 522 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [0,1,0,0,0,1|0,0,0]=2 523 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [0,1,0,0,0,1|0,0,0]=2 524 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [0,1,0,0,0,1|0,0,0]=2 525 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [0,1,0,0,0,1|0,0,1]=3 526 B12R1.4 C#CC1=CC=C(CC(=O)O)C=C1 P39766 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.4 C#CC1=CC=C(CC(=O)O)C=N1 Q62378 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 P39368 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 L19340 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.4 COC1=CC=C(CC(=O)[O-])C=C1 Q66992 [0,2,0,0,0,0|0,0,1]=3 531 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 Q67288 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 P42337 [0,2,0,0,0,0|0,0,0]=2 533 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N P51427 [0,2,0,0,0,0|0,0,0]=2 534 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O L18153 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.19 O=C(O)CC1=CC=C(Br)C(Cl)=C1 P41923 [0,2,0,0,0,0|0,0,0]=2 536 B12R1.19 O=C(O)CC1=CC=C(Br)C(F)=C1 S70897 [0,2,0,0,0,0|0,0,0]=2 537 B12R1.19 O=C(O)CC1=CC=C(O)C(I)=C1 K12031 [0,2,0,0,0,0|0,0,0]=2 538 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 P42359 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [0,2,0,0,0,0|0,0,0]=2 542 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 P36454 [0,2,0,0,0,0|0,0,1]=3 543 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 P36564 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 P42360 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 P36483 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 P38972 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 P42008 [0,2,0,0,0,0|0,0,0]=2 550 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 O28109 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 O28686 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 M22620 [0,2,0,0,0,0|0,0,0]=2 553 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 P36491 [0,2,0,0,0,0|0,0,1]=3 554 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 P36490 [0,2,0,0,0,0|0,0,1]=3 555 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 P39557 [0,2,0,0,0,0|0,0,1]=3 556 B12R1.20 O=C(O)C(=O)C1=CC=C(I)C=C1 P36018 [0,2,0,0,0,0|0,0,1]=3 557 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 P40728 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 P37023 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 Q53249 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 I-9270 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.49 COC(=O)CC1=NC=C(Br)C=N1 L13659 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.49 COC(=O)CC1=NC=C(Br)N=C1 L21706 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.49 NC1=CC=C(NC(=O)CO)C=C1 P40684 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 P37292 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.49 O=C(CBr)CC1=CC=C(Cl)C=C1 O29303 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 P39650 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 P37721 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 L20915 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.106 NS(=O)(=O)CC1=CC=C(Cl)C=C1 P36442 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 H-8931 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.233 CC1=CC(Br)=CC=C1CC(=O)O P35776 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.233 CC1=NC(C)=C(CC(=O)O)C=C1 Q60611 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.233 NC1=CC(Br)=CN=C1CC(=O)O Q53216 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=N1 Q52754 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=N1 Q52219 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 P39256 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 P41882 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 O30231 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.34 COC(=O)C(C)C1=CC=CN=C1 Q62302 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [0,2,0,0,0,0|0,0,0]=2 595 B12R1.124 CC1=CC=CC=C1C(=O)C(=O)O P41054 [0,2,0,0,0,0|0,0,1]=3 596 B12R1.124 CC1=CC=CC=C1C(N)C(=O)O P41783 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.124 NC(C(=O)O)C1=CC=CC=C1Br O28104 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F P35865 [0,2,0,0,0,0|0,0,0]=2 599 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O M15540 [0,2,0,0,0,0|0,0,0]=2 600 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O M22832 [0,2,0,0,0,0|0,0,1]=3 601 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1O O28562 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1O O28563 [0,2,0,0,0,0|0,0,0]=2 603 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Br P39207 [0,2,0,0,0,0|0,0,1]=3 604 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Cl P39275 [0,2,0,0,0,0|0,0,1]=3 605 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1F P36020 [0,2,0,0,0,0|0,0,1]=3 606 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Br M22703 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.225 CC1=CC(C(=O)C(=O)O)=CC=C1 P37051 [0,2,0,0,0,0|0,0,1]=3 608 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 P37582 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.225 CC1=CC(C(O)C(=O)O)=CC=C1 P36822 [0,2,0,0,0,0|0,0,0]=2 610 B12R1.225 CC1=CC([C@@H](N)C(=O)O)=CC=C1 P40243 [0,2,0,0,0,0|0,0,0]=2 611 B12R1.225 CC1=CC([C@H](N)C(=O)O)=CC=C1 P42369 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 O30706 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 P36389 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 O28864 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 O28938 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 P39302 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(O)=C1 O28464 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Br)=C1 P41079 [0,2,0,0,0,0|0,0,0]=2 619 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 O28946 [0,2,0,0,0,0|0,0,0]=2 620 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(F)=C1 P40985 [0,2,0,0,0,0|0,0,0]=2 621 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(O)=C1 O28477 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 P36439 [0,2,0,0,0,0|0,0,1]=3 623 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 P39209 [0,2,0,0,0,0|0,0,1]=3 624 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 P36019 [0,2,0,0,0,0|0,0,1]=3 625 B12R1.225 O=C(O)C(=O)C1=CC=CC(I)=C1 P39211 [0,2,0,0,0,0|0,0,1]=3 626 B12R1.225 O=C(O)C(O)C1=CC=CC(Br)=C1 M23024 [0,2,0,0,0,0|0,0,0]=2 627 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 P38344 [0,2,0,0,0,0|0,0,0]=2 628 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=N1 Q54907 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.253 CC(C)(C(=O)O)C1=CC=CN=C1 O30132 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 P37381 [0,2,0,0,0,0|0,0,0]=2 631 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=N1 Q58336 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.253 O=C(O)C(F)(F)C1=CC=NC=C1 Q52350 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.253 O=C(O)C(F)(F)C1=CN=CC=C1 Q60668 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.253 O=C(O)C(F)(F)C1=CN=CN=C1 Q60594 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 G-6799 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 P36308 [0,2,0,0,0,0|0,0,0]=2 637 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 P39058 [0,2,0,0,0,0|0,0,0]=2 638 B12R1.478 CNC(C(=O)O)C1=CN=CC=C1 Q62393 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 P38907 [0,2,0,0,0,0|0,0,0]=2 640 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 P39274 [0,2,0,0,0,0|0,0,0]=2 641 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 P51093 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 O28753 [0,2,0,0,0,0|0,0,0]=2 643 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 Q69047 [0,2,0,0,0,0|0,0,0]=2 644 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 Q69050 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 Q69051 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 Q69055 [0,2,0,0,0,0|0,0,0]=2 647 B12R1.32 CCOC(=O)CC1=CC=CN=N1 L13319 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.32 CCOC(=O)CC1=NC=CC=N1 I-9587 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 P40561 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 P40169 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 P37022 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P48889 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.50 C=CC(=O)NC1=CC=CC(N)=C1 P47752 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.50 CC1=CC(CC(N)CO)=CC=C1 P38591 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.50 CC1=CC(C[C@@H](N)CO)=CC=C1 P36120 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.50 CCC(=O)CC1=CC=CC(C)=C1 P40770 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 P37115 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.50 COC(=O)CC1=CC(C)=CN=C1 L14271 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.50 COC(=O)CC1=CC=CC(F)=N1 N25800 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 M22875 [0,2,0,0,0,0|0,0,0]=2 662 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 P38153 [0,2,0,0,0,0|0,0,0]=2 663 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 M15820 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.50 NC(CO)CC1=CC=CC(Br)=C1 P39329 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 P38434 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 P38589 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 P36762 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.50 N[C@@H](CO)CC1=CC=CC(F)=C1 P36121 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 P37966 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 P34978 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 P34977 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 O32163 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.50 O=C(CBr)CC1=CC=CC(Cl)=C1 O29302 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.371 CC1=CC=CC=C1CC(N)CO P38592 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.371 CC1=CC=CC=C1C[C@H](N)CO P34976 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.371 CCC(=O)CC1=CC=CC=C1C P39216 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.371 CCC(=O)CC1=CC=CC=C1F P41070 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.371 COC(=O)CC1=CC=CC=C1C P38193 [0,2,0,0,0,0|0,0,0]=2 680 B12R1.371 COC(=O)CC1=CC=CC=C1I M23155 [0,2,0,0,0,0|0,0,0]=2 681 B12R1.371 COC(=O)CC1=CC=CC=C1O P39566 [0,2,0,0,0,0|0,0,0]=2 682 B12R1.371 COC(=O)CC1=NC=CC=C1Br C-2928 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.371 C\C(C=O)=C/C1=CC=CC=C1F Q69219 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.371 NC(CO)CC1=CC=CC=C1Br P41931 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.371 NC(CO)CC1=CC=CC=C1Cl P38433 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.371 NC(CO)CC1=CC=CC=C1F P40521 [0,2,0,0,0,0|1,0,1]=4 687 B12R1.371 N[C@@H](CO)CC1=CC=CC=C1Cl P42911 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl P42910 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F P41132 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.371 O=C(CBr)CC1=CC=CC=C1Cl O29301 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.371 O=C(CCl)NC1=CC=CC=C1O Q69317 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 Q60487 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.75 COC1=CC=CN=C1CC(=O)O Q52077 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] L14567 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 O33939 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.127 CC(=O)NC1=CC(C)=CC=C1C P43337 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.127 CC1=CC=C(Br)C=C1CC(=O)O P35765 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1Br Q52414 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1Cl P37555 [0,2,0,0,0,0|0,0,0]=2 700 B12R1.127 O=C(O)CC1=CC(F)=CN=C1Cl Q64325 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 N24844 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.224 CC1=C(N)C(CC(=O)O)=CC=C1 O32083 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.224 CC1=C(N)C=CC=C1CC(=O)O O31221 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.224 CC1=CC=CN(CC(=O)O)C1=O Q60812 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.224 O=C(O)CC1=CC=CC(O)=C1O P40027 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.1009 O=C(O)CN1C(=O)C=CNC1=O L20540 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.438 C#CC1=CC(NC(C)=O)=CC=C1 P36498 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.438 CC(=O)NC1=CC=CC(CN)=C1 P39463 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 S72733 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.438 COC1=CC=CC(CC(C)=O)=N1 Q58463 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [0,0,1,1,0,0|1,0,1]=4 713 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [0,0,1,1,0,0|1,0,1]=4 714 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [0,0,1,1,0,0|1,0,1]=4 715 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [1,0,0,1,0,0|1,0,1]=4 716 B10R2.7 B1OC2=C(C=CC=C2)O1 P39136 [1,0,0,1,0,0|2,0,0]=4 717 B10R2.7 C1=CC2=C(C=CO2)C=N1 O30086 [1,0,0,1,0,0|1,0,1]=4 718 B10R2.7 C1=CC2=C(C=CO2)N=C1 C-3657 [1,0,0,1,0,0|1,0,1]=4 719 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,1,0,0|2,0,0]=4 720 B10R2.7 C1=CN=C2CC=NC2=C1 O29484 [1,0,0,1,0,0|2,0,0]=4 721 B10R2.7 C1=CN=C2N=COC2=C1 M24033 [1,0,0,1,0,0|2,0,0]=4 722 B10R2.7 C1=CN=C2OC=CC2=C1 O31056 [1,0,0,1,0,0|1,0,1]=4 723 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|1,0,1]=4 724 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,0,1|1,0,0]=3 725 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,0,1|1,0,0]=3 726 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [0,0,0,1,0,1|1,0,1]=4 727 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,0,1|1,0,0]=3 728 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 I-9788 [0,0,0,1,0,1|2,0,0]=4 729 B12R2.24 O=C1CCC2=CC=CN=C2N1 C-3538 [0,0,0,1,0,1|2,0,0]=4 730 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,1,0,1|1,0,0]=3 731 B12R2.24 O=C1COC2=NC=CC=C2N1 Q70041 [0,0,0,1,0,1|2,0,0]=4 732 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,0,0,1,0,1|1,0,0]=3 733 B12R2.24 O=C1CSC2=NC=CC=C2N1 L19465 [0,0,0,1,0,1|2,0,0]=4 734 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [0,0,0,1,0,1|1,0,1]=4 735 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [0,0,0,1,0,1|1,0,1]=4 736 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [0,0,0,1,0,1|1,0,1]=4 737 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,0,1|1,0,1]=4 738 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [0,0,0,1,0,1|1,0,1]=4 739 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,0,1|1,0,1]=4 740 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [0,0,0,1,0,1|1,0,1]=4 741 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 O29991 [0,0,0,1,0,1|1,0,1]=4 742 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 Q64311 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.606 CC1=CN=C2NC(=O)CC2=C1 Q55134 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 A-856 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.606 CC1=NC2=CC(N)=CC=C2O1 O31906 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 P51391 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.606 CC1=NC2=CC=C(N)C=C2O1 O31848 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 P44528 [0,1,0,1,0,0|1,0,0]=3 749 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 C-2304 [0,1,0,1,0,0|1,0,0]=3 750 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 O30897 [0,1,0,1,0,0|1,0,0]=3 751 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 P41149 [0,1,0,1,0,0|1,0,0]=3 752 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 Q70042 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 G-5187 [0,1,0,1,0,0|1,0,0]=3 754 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 O30335 [0,1,0,1,0,0|1,0,0]=3 755 B12R2.606 O=C1CC2=C(C=CC(F)=N2)N1 Q52847 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 F-4681 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 C-3428 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 H-8082 [0,1,0,1,0,0|0,0,0]=2 759 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 C-2386 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 C-2792 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 C-3445 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 E-3094 [0,1,0,1,0,0|1,0,0]=3 763 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 C-2428 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.606 O=C1CC2=CC(F)=NC=C2N1 Q53173 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 Q55136 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.606 O=C1CC2=CC(O)=CN=C2N1 L14537 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 L14126 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.606 O=C1CC2=CC=C(F)N=C2N1 Q55137 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 G-6071 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.606 O=C1CC2=CN=C(F)C=C2N1 Q53179 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.606 O=C1CC2=NC(Br)=CC=C2N1 G-5498 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 C-3480 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 C-3394 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 C-3482 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 10549 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 A-639 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 O30873 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.606 O=C1NC2=CC=C(O)C=C2N1 P38343 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.18 CC1C(=O)NC2=NC=CC=C21 L21552 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.18 CN1C(=O)CC2=CC=CN=C21 L21471 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.18 CN1C(=O)CC2=CC=NC=C21 Q64411 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.18 C[C@@H]1C(=O)NC2=NC=CC=C21 Q63901 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.18 C[C@H]1C(=O)NC2=NC=CC=C21 Q63900 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [0,1,0,1,0,0|1,0,1]=4 785 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [0,1,0,1,0,0|1,0,1]=4 786 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [0,1,0,1,0,0|1,0,0]=3 787 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [0,1,0,1,0,0|1,0,1]=4 788 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [0,1,0,1,0,0|1,0,1]=4 789 B12R2.32 NCC1=CC2=CC=CC=C2O1 P38438 [0,1,0,1,0,0|1,0,1]=4 790 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 O32117 [0,1,0,1,0,0|1,0,1]=4 791 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 Q60455 [0,1,0,1,0,0|1,0,1]=4 792 B12R2.32 O=CC1=CC2=CC=NC=C2O1 Q60270 [0,1,0,1,0,0|1,0,1]=4 793 B12R2.32 O=CC1=CC2=NC=CC=C2O1 G-6947 [0,1,0,1,0,0|1,0,1]=4 794 B12R2.32 OCC1=CC2=CC=CC=C2O1 P37484 [0,1,0,1,0,0|0,0,2]=4 795 B12R2.32 OCC1=NC2=CC=CC=C2S1 P38432 [0,1,0,1,0,0|1,1,0]=4 796 B12R2.32 OCC1CC2=C(C=CC=C2)N1 M23283 [0,1,0,1,0,0|1,0,1]=4 797 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 I-9423 [0,1,0,1,0,0|1,0,1]=4 798 B12R2.95 O=P1(Cl)OC2=C(C=CC=C2)O1 10653 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.202 CC1=C2CC(=O)NC2=NC=C1 Q55135 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 G-6916 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M15511 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 Q54343 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.202 CC1CC2=C(N)C=CC=C2O1 Q69331 [0,1,0,1,0,0|1,0,1]=4 804 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 O30052 [0,1,0,1,0,0|1,0,0]=3 805 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 L13524 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 Q64415 [0,1,0,1,0,0|2,0,0]=4 807 B12R2.202 O=C1CC2=C(Br)N=CC=C2N1 Q53176 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 G-5797 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 S86334 [0,1,0,1,0,0|1,0,0]=3 810 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 M15095 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 M15233 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 Q54335 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 O32907 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 C-2374 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.202 O=C1CC2=C(Cl)C=NC=C2N1 Q53171 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 C-2427 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.202 O=C1CC2=C(F)C=NC=C2N1 Q64413 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.202 O=C1CC2=C(F)N=CC=C2N1 Q53178 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 L21518 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.202 O=C1CC2=C(N1)C(Br)=CC=N2 Q54336 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.202 O=C1CC2=C(N1)C(Cl)=CC=N2 Q54334 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 L14715 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.202 O=C1CC2=CC=NC(Br)=C2N1 Q53169 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.202 O=C1CC2=CC=NC(F)=C2N1 Q53172 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 L13395 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.8 O=CCN1C=CC=N1 S72479 [1,0,0,0,1,0|2,0,0]=4 827 B8R1.8 OCCC1=CC=CS1 I-9194 [1,0,0,0,1,0|1,0,1]=4 828 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,0,0,0,2,0|2,0,0]=4 829 B8R1.7 O=C(O)C1=CC=NS1 P51141 [0,0,0,0,2,0|2,0,0]=4 830 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,0,0,0,2,0|2,0,0]=4 831 B8R1.7 O=C(O)C1=COC=N1 I-9284 [0,0,0,0,2,0|2,0,0]=4 832 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,0,0,0,2,0|2,0,0]=4 833 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,0,0,0,2,0|2,0,0]=4 834 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [0,0,0,0,2,0|2,0,0]=4 835 B8R1.7 O=C(O)C1=NSC=C1 O30998 [0,0,0,0,2,0|2,0,0]=4 836 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,0,0,0,0,2|1,0,1]=4 837 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,0,0,0,0,2|1,0,1]=4 838 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,0,0,0,0,2|1,0,1]=4 839 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [0,0,0,0,0,2|1,0,0]=3 840 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [0,0,0,0,0,2|0,0,0]=2