0 B9R1.69 CC1=C(Br)C=C(N)C=N1 SPC-g928 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=C(Br)C=C(O)C=N1 SPC-k554 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=C(N)N=CC(Cl)=N1 SPC-u717 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=CC(Br)=CN=C1N SPC-t722 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.69 CC1=CC(C)=NNC1=O SPC-p465 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 CC1=CC(Cl)=NC=C1N SPC-g398 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=CC(Cl)=NN=C1Cl SPC-g010 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SPC-s769 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 CC1=CC(I)=C(N)N=C1 SPC-n069 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 CC1=CC(N)=CN=C1Br SPC-t068 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 CC1=CC(O)=C(F)C=C1 SPC-t646 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.69 CC1=CC=C(Cl)N=C1Cl SPC-r185 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 CC1=CN=C(Br)C(Br)=C1 SPC-s195 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 CC1=NC=C(Br)C=C1Cl SPC-m067 [0,0,0,0,0,0|2,1,1]=4 14 B9R1.69 CC1=NC=C(Br)C=C1N SPC-p656 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.69 CC1=NC=C(Cl)C=C1N SPC-k130 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.69 CC1=NNC(=O)C(N)=C1 SPC-m427 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 CN1C=C(Br)C=CC1=O SPC-h085 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.69 CN1C=C(N)C=CC1=O SPC-h059 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 CN1C=C(O)C=CC1=O SPC-r215 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 ClC1=CC(Br)=CN=C1Br SPC-g533 [0,0,0,0,0,0|2,1,1]=4 21 B9R1.69 ClC1=CC(Cl)=C(Br)C=C1 SPC-k260 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 ClC1=CC(Cl)=NN=C1Cl SPC-g426 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 ClC1=CC(I)=C(Br)C=N1 SPC-t865 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 ClC1=CN=C(Br)C(Br)=C1 SPC-s194 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 SPC-s236 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.69 ClC1=CN=C(Cl)C=C1Cl SPC-h310 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 FC1=C(I)C=NC(Cl)=C1 SPC-s853 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 FC1=CC(Cl)=CN=C1Br SPC-s836 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.69 FC1=CC(Cl)=NN=C1Cl SPC-k161 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.69 FC1=CN=C(Br)C(F)=C1 SPC-p184 [0,0,0,0,0,0|2,1,1]=4 31 B9R1.69 FC1=CN=C(F)C(F)=C1 SPC-s193 [0,0,0,0,0,0|2,1,1]=4 32 B9R1.69 NC1=C(Br)C=C(Cl)N=N1 SPC-g554 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 SPC-h130 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 NC1=C(I)C=C(Cl)C=C1 SPC-k105 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.69 NC1=C(I)C=NC(Cl)=C1 SPC-h144 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 NC1=C(N)N=C(Cl)C=C1 SPC-j417 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 NC1=CC(Br)=CN=C1Br SPC-j349 [0,0,0,0,0,0|2,1,1]=4 38 B9R1.69 NC1=CC(Br)=CN=C1Cl SPC-j348 [0,0,0,0,0,0|2,1,1]=4 39 B9R1.69 NC1=CC(Cl)=NC=C1Cl SPC-r204 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.69 NC1=CC(F)=CN=C1Br SPC-s837 [0,0,0,0,0,0|2,1,1]=4 41 B9R1.69 NC1=CC=C(Cl)N=C1I SPC-u366 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.69 NC1=CN=C(Cl)C=C1N SPC-n257 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 NC1=NC(Cl)=CN=C1Br SPC-p351 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.69 NC1=NC=C(Br)C=C1F SPC-t043 [0,0,0,0,0,0|2,1,1]=4 45 B9R1.69 NC1=NC=C(I)C=C1Br SPC-m479 [0,0,0,0,0,0|2,1,1]=4 46 B9R1.69 OC1=C(F)C=C(F)C=C1 SPC-s208 [0,0,0,0,0,0|2,1,1]=4 47 B9R1.69 OC1=C(I)C=NC(Cl)=C1 SPC-j924 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.69 OC1=CC(Br)=CN=C1Cl SPC-t038 [0,0,0,0,0,0|1,1,1]=3 49 B9R1.69 [CH2-]C1=CC(Br)=C(F)N=C1 SPC-v600 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.3 BrC1=CN=C(I)C=C1 SPC-k218 [1,0,0,0,0,0|1,1,1]=4 51 B8R1.3 BrC1=NC=C(I)C=C1 SPC-s842 [1,0,0,0,0,0|1,1,1]=4 52 B8R1.3 CC1=CN=C(Br)C=C1 SPC-g114 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.3 CC1=CN=C(F)C=C1 SPC-s869 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.3 CC1=NC=C(Br)C=C1 SPC-p658 [1,0,0,0,0,0|1,1,1]=4 55 B8R1.3 CC1=NC=C(N)C=C1 SPC-n264 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.3 CC1=NN=C(Cl)C=C1 SPC-g259 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.3 ClC1=CN=C(Br)N=C1 SPC-k232 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.3 ClC1=CN=C(Cl)C=N1 SPC-g707 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.3 ClC1=CN=C(Cl)N=C1 SPC-g383 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.3 ClC1=NC=C(I)C=C1 SPC-t655 [1,0,0,0,0,0|1,1,1]=4 61 B8R1.3 ClC1=NN=C(I)C=C1 SPC-g436 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.3 FC1=CN=C(Br)C=C1 SPC-s838 [1,0,0,0,0,0|1,1,1]=4 63 B8R1.3 FC1=CN=C(Cl)C=C1 SPC-s857 [1,0,0,0,0,0|1,1,1]=4 64 B8R1.3 FC1=NC=C(Br)C=C1 SPC-p654 [1,0,0,0,0,0|1,1,1]=4 65 B8R1.3 NC1=CN=C(Cl)C=N1 SPC-g543 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.3 NC1=CN=C(F)C=C1 SPC-t078 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.3 NC1=NC=C(Cl)C=C1 SPC-t406 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.3 NC1=NC=C(F)C=C1 SPC-g172 [1,0,0,0,0,0|1,1,1]=4 69 B8R1.3 O=C1N=CC(Br)=CN1 SPC-t737 [1,0,0,0,0,0|1,1,0]=3 70 B8R1.3 OC1=CN=C(Br)C=C1 SPC-g192 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.3 OC1=CN=C(Cl)C=C1 SPC-g273 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.4 CC1=CC(Br)=CN=C1 SPC-g551 [1,0,0,0,0,0|1,1,1]=4 73 B8R1.4 CC1=CC(Cl)=NC=C1 SPC-g113 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.4 CC1=CC(Cl)=NN=C1 SPC-h439 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.4 CC1=CC(O)=CN=C1 SPC-t060 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.4 CC1=CC=CC(Cl)=N1 SPC-s860 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.4 CC1=NC=CC(O)=C1 SPC-r417 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.4 ClC1=CC(Br)=CN=C1 SPC-s917 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.4 ClC1=CC(Br)=CN=N1 SPC-n192 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.4 ClC1=CC(Br)=NC=C1 SPC-j180 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.4 ClC1=CC(Cl)=NC=C1 SPC-n018 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.4 ClC1=CC(Cl)=NN=C1 SPC-r169 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.4 ClC1=CC=CC(Br)=N1 SPC-g318 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.4 ClC1=CN=CC(Cl)=C1 SPC-k264 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.4 ClC1=NC=CC(Br)=C1 SPC-p504 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.4 FC1=CC(Br)=CN=C1 SPC-t612 [1,0,0,0,0,0|1,1,1]=4 87 B8R1.4 FC1=CC(Cl)=NC=C1 SPC-s855 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.4 FC1=NC=CC(Cl)=C1 SPC-t603 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.4 IC1=CN=CC(I)=C1 SPC-k175 [1,0,0,0,0,0|1,1,1]=4 90 B8R1.4 NC1=CC(Cl)=CN=C1 SPC-t052 [1,0,0,0,0,0|1,0,1]=3 91 B8R1.4 NC1=CC(Cl)=CN=N1 SPC-q561 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.4 NC1=CC(Cl)=NC=C1 SPC-j364 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.4 NC1=CC(Cl)=NN=C1 SPC-p801 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.4 NC1=CC(F)=CN=C1 SPC-t057 [1,0,0,0,0,0|1,1,1]=4 95 B8R1.4 NC1=CC=CC(Cl)=N1 SPC-g038 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.4 NC1=CN=CC(Cl)=N1 SPC-g175 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.4 NC1=NC=CC(Cl)=C1 SPC-g189 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.4 OC1=CC(Br)=CN=C1 SPC-t046 [1,0,0,0,0,0|0,1,1]=3 99 B8R1.4 OC1=CC(Cl)=NC=C1 SPC-s856 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.5 CC1=C(Br)C=CC=N1 SPC-s912 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.5 CC1=C(O)C=CC=N1 SPC-g264 [1,0,0,0,0,0|1,0,1]=3 102 B8R1.5 CC1=CC=CN=C1Br SPC-g509 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.5 CC1=CC=CN=C1Cl SPC-k262 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.5 CC1=CC=NNC1=O SPC-m081 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.5 ClC1=C(Br)C=CC=N1 SPC-g036 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.5 FC1=C(I)C=CC=N1 SPC-s866 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.5 FC1=CC=CN=C1Br SPC-p185 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.5 FC1=CC=CN=C1I SPC-j951 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.5 NC1=C(Br)C=CC=N1 SPC-s923 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.5 NC1=C(I)C=CC=N1 SPC-p395 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.5 NC1=CC=CN=C1O SPC-k107 [1,0,0,0,0,0|1,0,2]=4 112 B8R1.5 O=C1C=COC=C1O SPC-n061 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.5 O=C1NC=NC=C1Br SPC-j361 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.5 O=C1NN=CC=C1Cl SPC-j784 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.5 OC1=CC=CN=C1Br SPC-p191 [1,0,0,0,0,0|1,0,1]=3 116 B8R1.5 OC1=CC=CN=C1F SPC-r423 [1,0,0,0,0,0|1,0,1]=3 117 B10R1.22 CN1C=C(Br)C=C(N)C1=O SPC-j134 [0,1,0,0,0,0|1,1,0]=3 118 B10R1.22 CN1C=C(Cl)C=C(N)C1=O SPC-r229 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.22 CN1C=C(I)C=C(Cl)C1=O SPC-s296 [0,1,0,0,0,0|1,1,0]=3 120 B10R1.25 COC1=NC=C(Br)C=C1O SPC-r179 [0,1,0,0,0,0|0,1,2]=4 121 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 SPC-u337 [0,1,0,0,0,0|2,1,0]=4 122 B10R1.25 NC1=CC(Br)=CN=C1C=O SPC-r224 [0,1,0,0,0,0|1,1,1]=4 123 B10R1.25 NC1=CC(Cl)=CN=C1CO SPC-s673 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 SPC-g540 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 SPC-g415 [0,1,0,0,0,0|2,1,0]=4 126 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl SPC-j232 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl SPC-j753 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.25 O=CC1=NC=C(Br)C=C1F SPC-r172 [0,1,0,0,0,0|1,1,1]=4 129 B10R1.30 CC1=NC=C(Br)C=C1CO SPC-t488 [0,1,0,0,0,0|1,1,1]=4 130 B10R1.30 NC1=C(CO)C=C(Br)C=C1 SPC-j974 [0,1,0,0,0,0|2,1,0]=4 131 B10R1.30 OCC1=CC(Br)=CN=C1Cl SPC-r416 [0,1,0,0,0,0|1,1,1]=4 132 B10R1.118 CC1=CC(Br)=C(Cl)C=C1N SPC-t590 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.119 CC1=C(Br)C=CC(N)=C1O SPC-t735 [0,1,0,0,0,0|2,1,0]=4 134 B10R1.119 NC1=C(Cl)C(Cl)=C(Cl)C=N1 SPC-p303 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.119 NC1=C(Cl)C=CC(Br)=C1Cl SPC-k104 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.119 NC1=C(N)C(Cl)=NC=C1Cl SPC-k755 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.3 ClC1=NN=CC=C1 SPC-h220 [2,0,0,0,0,0|1,0,1]=4 138 B7R1.3 FC1=NC=CC=C1 SPC-m992 [2,0,0,0,0,0|1,0,1]=4 139 B7R1.3 O=C1C=CC=NN1 SPC-g446 [2,0,0,0,0,0|1,0,0]=3 140 B7R1.3 O=C1C=CN=CN1 SPC-n087 [2,0,0,0,0,0|1,0,0]=3 141 B7R1.3 OC1=CC=NC=C1 SPC-g124 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.3 OC1=CN=CN=C1 SPC-k979 [2,0,0,0,0,0|1,0,1]=4 143 B7R1.3 [O-]C1=CC=CC=C1 SPC-k243 [2,0,0,0,0,0|1,0,1]=4 144 B7R1.3 [S-]C1=CC=CC=C1 SPC-t743 [2,0,0,0,0,0|1,1,0]=4 145 B7R1.3 [SiH3]C1=CC=CC=C1 SPC-r404 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 C#CC1=CC=C(Cl)C=C1 SPC-j149 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.1 C=CC1=NC=C(Cl)C=C1 SPC-t050 [1,1,0,0,0,0|1,0,1]=4 148 B9R1.1 ClC1=CN=C(CBr)C=C1 SPC-p092 [1,1,0,0,0,0|1,0,1]=4 149 B9R1.1 FC1=NC=C(CCl)C=C1 SPC-h520 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.1 NCC1=CNC(=O)C=C1 SPC-j609 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.1 O=CC1=CN=C(Cl)C=N1 SPC-j256 [1,1,0,0,0,0|1,0,1]=4 152 B9R1.1 O=CC1=NC=C(O)C=C1 SPC-u413 [1,1,0,0,0,0|1,0,1]=4 153 B9R1.1 O=CC1=NN=C(Cl)C=C1 SPC-m094 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.2 CC1=CC(CCl)=CN=C1 SPC-s888 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.2 CC1=CC(CO)=CN=C1 SPC-j744 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.2 COC1=CC(Cl)=NN=C1 SPC-m014 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.2 COC1=CN=CC(N)=C1 SPC-r210 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.2 ClCC1=CC(Cl)=CN=C1 SPC-h899 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.2 FC1=CC(CCl)=CN=C1 SPC-m549 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.2 O=CC1=CC(Cl)=CN=C1 SPC-t054 [1,1,0,0,0,0|0,0,2]=4 161 B9R1.2 OCC1=CC(Br)=CN=C1 SPC-g623 [1,1,0,0,0,0|0,1,1]=4 162 B9R1.2 OCC1=CC(F)=CN=C1 SPC-h492 [1,1,0,0,0,0|0,1,1]=4 163 B9R1.3 NC1=CC=CC(O)=C1Br SPC-k342 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.3 O=C1C(O)=CNC=C1F SPC-p378 [1,1,0,0,0,0|0,1,0]=3 165 B9R1.3 OC1=CC=CC(F)=C1Cl SPC-s848 [1,1,0,0,0,0|1,1,0]=4 166 B9R1.15 O=C1NC=CC=C1CO SPC-n030 [1,1,0,0,0,0|0,0,0]=2 167 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.15 O=CC1=NC=CC=C1O SPC-m154 [1,1,0,0,0,0|0,0,1]=3 169 B9R1.15 OCC1=CC=CN=C1Cl SPC-g018 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.132 CC1=CNC(C=O)=C1C SPC-m565 [0,1,0,0,1,0|2,0,0]=4 171 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O SPC-k826 [0,2,0,0,0,0|1,0,1]=4 172 B11R1.167 O=C1NC=C(Br)C=C1[N+](=O)[O-] SPC-j147 [0,2,0,0,0,0|0,1,1]=4 173 B7R1.2 CC1=CC(Cl)=NN1 SPC-j294 [1,0,0,0,1,0|2,0,0]=4 174 B7R1.2 NC1=CC(Cl)=NN1 SPC-j892 [1,0,0,0,1,0|2,0,0]=4 175 B7R1.2 NC1=CSC(Cl)=C1 SPC-k871 [1,0,0,0,1,0|2,0,0]=4