0 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 CC(=O)C1=NC=CN=C1Cl SPC-m051 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC1=C(C(=O)O)C=NN=C1 SPC-j591 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 SPC-g293 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 SPC-n074 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] SPC-p404 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.61 CC1=CN=CN=C1C(=O)O SPC-t697 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 CC1=NC=CN=C1C(=O)O SPC-j734 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-p487 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-s982 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.61 NC1=C([N+](=O)[O-])C=CC=N1 SPC-h713 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 SPC-g205 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SPC-g116 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SPC-t006 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SPC-g759 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.61 O=C(O)C1=C(F)C=NC=N1 SPC-t058 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.61 O=C(O)C1=NC=CN=C1Cl SPC-j425 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.61 O=C(O)C1=NC=CN=C1O SPC-g411 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 SPC-g014 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.61 O=[N+]([O-])C1=C(O)N=CC=C1 SPC-g020 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br SPC-p186 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl SPC-g337 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O SPC-k291 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.15 C#CC1=C(N)C=CC=C1 SPC-m355 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.15 CC1=C(C=O)C=CC=N1 SPC-m999 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.15 CC1=C(C=O)C=NC=C1 SPC-n153 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.15 CC1=C(CN)C=NC=C1 SPC-m008 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.15 N#CC1=CC=CN=C1O SPC-j373 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.15 NC1=C(C=O)C=CC=N1 SPC-r422 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.15 NC1=C(C=O)C=CN=C1 SPC-h393 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.15 NC1=C(C=O)C=NC=C1 SPC-n111 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.15 NC1=NC=CN=C1C=O SPC-j177 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 NCC1=C(Cl)C=CC=N1 SPC-u229 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 NCC1=C(F)C=CC=N1 SPC-j562 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.15 NCC1=C(F)C=CC=N1 SPC-t905 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.15 O=CC1=C(Br)C=CN=C1 SPC-r187 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 O=CC1=C(Cl)C=CN=C1 SPC-j931 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 O=CC1=C(F)C=NC=C1 SPC-g824 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.15 O=CC1=CC=CN=C1Cl SPC-g097 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 O=CC1=NC=CC=C1O SPC-m154 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.53 COC1=C(C(C)=O)C=NC=C1 SPC-s730 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 SPC-k707 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 SPC-v607 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O SPC-t777 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.156 CC1=CC=NC(C)=C1C(=O)O SPC-u166 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 SPC-p486 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F SPC-g499 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.159 CC1=C(Br)C=CC=C1[N+](=O)[O-] SPC-k277 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O SPC-u228 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1N SPC-t765 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.159 CN1C=CC=C(C(=O)O)C1=O SPC-p035 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 SPC-n011 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O SPC-p488 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.159 O=[N+]([O-])C1=CC=CC(Br)=C1F SPC-k441 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.159 O=[N+]([O-])C1=CC=CC(O)=C1F SPC-m363 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 SPC-r400 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 SPC-k301 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O SPC-p660 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 SPC-p379 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 SPC-p924 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 SPC-g171 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 SPC-j816 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 SPC-g789 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O SPC-j138 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O SPC-k826 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O SPC-n110 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.166 NC1=CC(F)=C([N+](=O)[O-])C=C1 SPC-g220 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.166 NC1=CC(F)=CN=C1C(=O)O SPC-t445 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.166 NC1=CC(F)=NC=C1C(=O)O SPC-p489 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SPC-k263 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.166 O=C(O)C1=C(F)C=C(F)C=N1 SPC-r421 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br SPC-s216 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl SPC-n021 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl SPC-g590 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F SPC-h201 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F SPC-j994 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 SPC-k299 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 SPC-n249 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 SPC-t888 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 SPC-u756 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 SPC-g542 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 SPC-j717 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 SPC-p323 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 SPC-n052 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 SPC-v649 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.167 NC1=C(C(=O)O)N=C(Cl)C=C1 SPC-j426 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 SPC-j633 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O SPC-g923 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.167 NC1=CN=C(F)C=C1C(=O)O SPC-t026 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O SPC-j139 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.167 NC1=NC=C(F)C=C1C(=O)O SPC-p162 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=N1 SPC-g698 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=N1 SPC-v203 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 SPC-g237 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl SPC-p650 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.167 O=C(O)C1=CC(Br)=CN=C1F SPC-t586 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O SPC-h714 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl SPC-m616 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F SPC-s841 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl SPC-g236 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Cl)=C1 SPC-s766 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.222 COC(=O)C1=C(C)C=NC=C1 SPC-k767 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SPC-g251 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.222 COC(=O)C1=C(F)C=NC=C1 SPC-h095 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.222 COC(=O)C1=C(I)C=NC=C1 SPC-h212 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.222 COC(=O)C1=C(N)C=CN=C1 SPC-q126 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SPC-g458 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.222 COC(=O)C1=C(N)N=CC=C1 SPC-t201 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.222 COC(=O)C1=CC=CN=C1Br SPC-g889 [0,1,0,0,0,0|3,0,0]=4 131 B11R2.1 BrC1=C2C=CN=CC2=NN1 SPC-k886 [0,0,0,1,0,0|3,0,0]=4 132 B11R2.1 BrC1=C2N=CC=CC2=NN1 SPC-j720 [0,0,0,1,0,0|3,0,0]=4 133 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.1 CC1=C2C=CC=NC2=NN1 SPC-g925 [0,0,0,1,0,0|3,0,0]=4 135 B11R2.1 CC1=C2N=CC=CC2=NN1 SPC-j544 [0,0,0,1,0,0|3,0,0]=4 136 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|3,0,0]=4 137 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|2,0,1]=4 138 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.1 IC1=C2C=CN=CC2=NN1 SPC-n064 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [0,0,0,1,0,0|2,0,1]=4 141 B11R2.1 NC1=C2N=CC=CC2=NN1 SPC-p015 [0,0,0,1,0,0|3,0,0]=4 142 B11R2.1 NC1=CN=C2C=CC=CN12 SPC-m622 [0,0,0,1,0,0|3,0,0]=4 143 B11R2.1 NC1=NNC2=NC=CC=C12 SPC-j086 [0,0,0,1,0,0|3,0,0]=4 144 B11R2.1 NC1=NOC2=C1N=CC=C2 SPC-u414 [0,0,0,1,0,0|2,0,0]=3 145 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [0,0,0,1,0,0|3,0,0]=4 146 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [0,0,0,1,0,0|3,0,0]=4 147 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,0,0,1,0,0|1,0,0]=2 148 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [0,0,0,1,0,0|2,0,0]=3 149 B11R2.1 O=C1NCC2=C1CC=CC2 SPC-n014 [0,0,0,1,0,0|1,0,2]=4 150 B9R1.41 CC1=CSC=C1C(=O)O SPC-r375 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.41 NC(=O)C1=CC=CN1N SPC-r256 [0,0,0,0,1,0|2,0,0]=3 152 B9R1.41 NC(=O)C1=CN=CN1N SPC-u477 [0,0,0,0,1,0|3,0,0]=4 153 B9R1.41 NC1=C(C(=O)O)C=CS1 SPC-t631 [0,0,0,0,1,0|3,0,0]=4 154 B9R1.41 O=C(O)C1=C(Br)C=CS1 SPC-g312 [0,0,0,0,1,0|3,0,0]=4 155 B9R1.41 O=C(O)C1=CSC=C1Br SPC-m027 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.86 CC(=O)OC1=CC=CN=C1Br SPC-m968 [0,0,0,0,0,1|3,0,0]=4 157 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 SPC-k819 [0,0,0,0,0,1|3,0,0]=4 158 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SPC-h555 [0,0,0,0,0,1|3,0,0]=4 159 B11R1.86 O=C(O)CC1=NC=CC=C1O SPC-t979 [0,0,0,0,0,1|2,0,0]=3 160 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|1,0,1]=4 161 B8R1.2 NNC1=CC=CN=C1 SPC-g939 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 NNC1=CC=NC=C1 SPC-g941 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.2 O=CC1=CN=CN=C1 SPC-j129 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 O=CC1=CN=NC=C1 SPC-n491 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.5 CC1=C(N)C=NC=C1 SPC-t017 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.5 CC1=C(O)C=CC=N1 SPC-g264 [2,0,0,0,0,0|1,0,1]=4 170 B8R1.5 NC1=C(Br)C=CC=N1 SPC-s923 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.5 NC1=C(Br)C=NC=C1 SPC-s924 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.5 NC1=C(F)C=NC=C1 SPC-p381 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.5 NC1=C(I)C=CC=N1 SPC-p395 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.5 NC1=C(I)C=NC=C1 SPC-r427 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.5 NC1=C(N)C=NC=C1 SPC-g158 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.5 NC1=CC=CN=C1O SPC-k107 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.5 O=C1C=COC=C1O SPC-n061 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.5 OC1=CC=CN=C1Br SPC-p191 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.5 OC1=CC=CN=C1F SPC-r423 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.13 N=C(N)C1=CN=C(F)C=C1 SPC-j790 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.13 N=C(N)C1=NC=C(F)C=C1 SPC-k125 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.13 NC(=O)C1=NC=C(O)C=C1 SPC-u527 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.13 NC(=O)C1=NN=C(N)C=C1 SPC-r165 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [1,1,0,0,0,0|0,0,2]=4 193 B10R1.28 NS(=O)(=O)C1=CC=NC=C1 SPC-j046 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.28 NS(=O)(=O)C1=NC=CC=C1 SPC-j047 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SPC-g746 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SPC-g513 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 SPC-p214 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 SPC-m628 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SPC-g504 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SPC-g233 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.113 NC1=NC=CC(C(=O)O)=C1 SPC-g225 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SPC-s846 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SPC-g633 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SPC-g694 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SPC-g630 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SPC-t071 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SPC-g433 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SPC-k816 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SPC-t005 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SPC-m662 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 SPC-n990 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.2 COC1=CC=CC(Br)=C1O SPC-k449 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.2 O=CC1=C(Cl)C(Cl)=NC=C1 SPC-u112 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.2 O=CC1=CC=CC(Br)=C1F SPC-t759 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.2 O=CC1=CN=CC(Cl)=C1Cl SPC-p455 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.20 COC1=C(C=O)C=CC=N1 SPC-g793 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.20 COC1=C(CN)C=CN=C1 SPC-r235 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.20 COC1=NC=CC=C1CN SPC-j644 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 SPC-u337 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.25 NC1=CC(Br)=CN=C1C=O SPC-r224 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 SPC-g540 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 SPC-g415 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.25 O=CC1=CC=C(Br)N=C1Br SPC-j482 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl SPC-j232 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl SPC-j753 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.25 O=CC1=NC=C(Br)C=C1F SPC-r172 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.30 CC1=NC(C=O)=C(F)C=C1 SPC-r230 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 SPC-r401 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 SPC-v716 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.30 O=CC1=C(F)C=CC(Br)=N1 SPC-r176 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.30 O=CC1=CC(Br)=CN=C1Cl SPC-j645 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.30 O=CC1=CC(Br)=CN=C1F SPC-j351 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.30 O=CC1=CC(Br)=NC=C1F SPC-s839 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.245 C=CC1=C(Br)C=CN=C1O SPC-r198 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.245 C=CC1=C(Cl)C=CN=C1O SPC-r196 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.245 C=CC1=C(F)C=CN=C1O SPC-r197 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.245 C=CC1=C(I)C=CN=C1O SPC-q525 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.245 N#CC1=C(Cl)C=CC=C1O SPC-k123 [1,1,0,0,0,0|0,0,2]=4 244 B10R1.245 NC1=CC=CC(Br)=C1C=O SPC-j818 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.245 O=CC1=C(Br)C=NC=C1Br SPC-t657 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.245 O=CC1=C(Cl)C=CC=C1O SPC-p206 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.245 O=CC1=C(Cl)C=CN=C1Br SPC-r209 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] SPC-q247 [0,1,0,0,0,1|2,0,0]=4 249 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 SPC-r011 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O SPC-k091 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.57 O=CC1=C(C(=O)O)C=CC(Br)=C1 SPC-t990 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 SPC-s529 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.437 N#CC1=CC=CC(F)=C1C(=O)O SPC-k096 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.894 CC1=C(Br)C=CC(O)=C1[N+](=O)[O-] SPC-u376 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.894 O=C(O)C1=C(Cl)C=CC(Br)=C1Cl SPC-m585 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 SPC-m973 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1O SPC-s726 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 SPC-g734 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.440 COC1=CC=CC(C(=O)O)=C1N SPC-j946 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F SPC-m953 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1F SPC-t528 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1F SPC-h458 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 SPC-r012 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 SPC-g103 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O SPC-u257 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=N1 SPC-r190 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.354 COC(=O)C1=CC(Br)=CN=C1O SPC-g475 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.354 COC(=O)C1=CC(Br)=NC=C1O SPC-q100 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [0,0,1,1,0,0|1,1,0]=4 270 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|1,0,1]=4 271 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|1,0,1]=4 272 B10R2.7 C1=CC2=C(C=CO2)N=C1 SPC-q050 [1,0,0,1,0,0|2,0,0]=4 273 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,0,0,1,0,1|1,0,0]=3 274 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 SPC-k529 [0,0,0,1,0,1|2,0,0]=4 275 B12R2.202 NC1=NC2=CC=CC(F)=C2S1 SPC-u199 [0,0,0,1,0,1|2,0,0]=4 276 B12R2.202 NC1=NC2=CC=CC(O)=C2S1 SPC-p157 [0,0,0,1,0,1|1,0,0]=3 277 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 SPC-k505 [0,0,0,1,0,1|2,0,0]=4 278 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 SPC-h243 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 SPC-j614 [0,0,0,1,0,1|2,0,0]=4 280 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 SPC-s335 [0,0,0,1,0,1|1,0,0]=3 281 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 SPC-k507 [0,0,0,1,0,1|2,0,0]=4 282 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 SPC-p502 [0,0,0,1,0,1|2,0,0]=4 283 B12R2.202 OC1=CC=CC2=C1SC(Cl)=N2 SPC-k137 [0,0,0,1,0,1|1,0,1]=4 284 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,1,0,1,0,0|1,0,1]=4 285 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,1,0,1,0,0|1,0,0]=3 286 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 SPC-h539 [0,1,0,1,0,0|2,0,0]=4 287 B12R2.1081 O=C1NC=CC2=CC=CN=C12 SPC-s408 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 SPC-j353 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.1081 O=C1NC=NC2=C1C=NC=C2 SPC-n096 [0,1,0,1,0,0|2,0,0]=4 290 B12R2.1081 O=C1NC=NC2=CC=CN=C12 SPC-h549 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,1,0,1,0,0|1,0,0]=3 292 B12R2.203 BrC1=C2C(=CC=C1)NN=C2I SPC-v514 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 SPC-p401 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 SPC-h963 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.203 ClC1=CC=CC2=NNC(Br)=C12 SPC-s913 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 SPC-m084 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.203 NC1=CC=CC2=NNC(Cl)=C12 SPC-p358 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.203 NC1=CC=CC2=NNC(I)=C12 SPC-p386 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.203 NC1=NNC2=CC=CC(Br)=C21 SPC-j691 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.203 NC1=NNC2=CC=CC(I)=C21 SPC-j037 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.203 OC1=C2C(Br)=CNC2=NC=C1 SPC-u770 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.196 ClC1=C2C=CC=C(Br)C2=NN1 SPC-p843 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.196 FC1=CC=CC2=C(I)NN=C12 SPC-k349 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.196 NC1=CC=CC2=C(Cl)NN=C12 SPC-j703 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.196 NC1=CC=CC2=C(I)NN=C12 SPC-u450 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.196 NC1=CC=CC2=C1CNC2=O SPC-h606 [0,1,0,1,0,0|1,0,0]=3 307 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SPC-g231 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 SPC-g553 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,1,0,1,0,0|1,0,0]=3 310 B12R2.612 CC1=C2C=CC(Br)=CC2=NN1 SPC-h140 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.612 CC1=C2C=CC(I)=CC2=NN1 SPC-m113 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.612 CC1=C2C=CC(N)=CC2=NN1 SPC-j444 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.612 ClC1=C2C=CC(Br)=CC2=NN1 SPC-h248 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SPC-h457 [0,1,0,1,0,0|1,0,0]=3 315 B12R2.612 NC1=CC2=NNC(Cl)=C2C=C1 SPC-p359 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.612 NC1=CC2=NNC(I)=C2C=C1 SPC-j702 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|1,0,0]=3 318 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SPC-q927 [0,1,0,1,0,0|1,0,0]=3 319 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SPC-q956 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.132 CC1=C2C=C(Br)C=CC2=NN1 SPC-g680 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.132 CC1=C2C=C(N)C=CC2=NN1 SPC-j443 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.132 FC1=CC2=C(Br)NN=C2C=C1 SPC-s918 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.132 NC1=CC2=C(Br)NN=C2C=C1 SPC-n043 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.132 NC1=CC2=C(C=C1)CNC2=O SPC-h313 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 SPC-p765 [0,1,0,1,0,0|1,0,0]=3 328 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 SPC-s397 [0,1,0,1,0,0|1,0,0]=3 329 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 SPC-p810 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.1 OCC1=C2C=CC=CC2=NN1 SPC-h764 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.18 CN1N=C2C=CC=CC2=C1Br SPC-t616 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [1,0,0,0,1,0|2,0,0]=4 333 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [1,0,0,0,1,0|2,0,0]=4 334 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [1,0,0,0,1,0|2,0,0]=4 335 B8R1.11 CC1=CSC=C1C=O SPC-p593 [1,0,0,0,1,0|2,0,0]=4