0 B10R1.3 C#CC1=CN=C(OC)C=C1 SPC-k103 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 COC1=CN=C(C#N)C=C1 SPC-k938 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 COC1=CN=C(C#N)N=C1 SPC-p716 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.3 COC1=CN=C(C=O)N=C1 SPC-u633 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.3 COC1=CN=C(CCl)C=C1 SPC-m285 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.3 COC1=CN=C(CCl)N=C1 SPC-r241 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.3 COC1=CN=C(CO)C=C1 SPC-n798 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.3 COC1=NC=C(C#N)C=N1 SPC-v219 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.3 COC1=NC=C(C=O)C=C1 SPC-n262 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.3 COC1=NC=C(CN)C=C1 SPC-j639 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.3 COC1=NC=C(CN)C=N1 SPC-u784 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.3 COC1=NC=C(CO)C=C1 SPC-j652 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.3 COC1=NC=C(CO)C=N1 SPC-m769 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.3 N#CC1=CN=C(CN)C=C1 SPC-p734 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.3 O=CC1=CC=C(CCl)C=C1 SPC-u418 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.1 BrCC1=CN=C(Br)C=C1 SPC-u373 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 C#CC1=CC=C(Cl)C=C1 SPC-j149 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.1 C#CC1=CC=C(N)C=C1 SPC-t770 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.1 CC1=CC=C(CN)N=N1 SPC-j102 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 CC1=CN=C(CCl)C=N1 SPC-t784 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 CC1=CN=C(CCl)N=C1 SPC-k974 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 CC1=CN=C(CO)N=C1 SPC-k972 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.1 CC1=NC=C(C#N)C=C1 SPC-t730 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 CC1=NC=C(C=O)C=C1 SPC-g684 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.1 CC1=NC=C(CCl)C=N1 SPC-p604 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 CC1=NC=C(CN)C=C1 SPC-j627 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 CC1=NC=C(CN)C=N1 SPC-j625 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CC1=NC=C(CO)C=N1 SPC-n694 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 CCC1=NC=C(Br)C=C1 SPC-n190 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 COC1=CN=C(Br)N=C1 SPC-h175 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 COC1=CN=C(Cl)N=C1 SPC-g227 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 COC1=CN=C(F)C=C1 SPC-v061 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 COC1=CN=C(N)C=C1 SPC-g838 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 COC1=CN=C(N)N=C1 SPC-p715 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 COC1=NC=C(Br)C=C1 SPC-j898 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 COC1=NC=C(N)C=C1 SPC-g246 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.1 ClC1=CN=C(CBr)C=C1 SPC-p092 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 FC1=NC=C(CCl)C=C1 SPC-h520 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 NC1=NC=C(CO)C=C1 SPC-j263 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 NC1=NC=C(CO)C=N1 SPC-r246 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 NCC1=CN=C(F)C=C1 SPC-n809 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 NCC1=CNC(=O)C=C1 SPC-j609 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 NCC1=NC=C(Br)C=C1 SPC-n793 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 NNC1=CC=C(F)C=C1 SPC-k289 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 O=CC1=NC=C(O)C=C1 SPC-u413 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.1 OCC1=CN=C(Cl)C=N1 SPC-j255 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 OCC1=CN=C(Cl)N=C1 SPC-j253 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 OCC1=NC=C(Br)C=N1 SPC-r245 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 OCC1=NC=C(Cl)C=N1 SPC-k980 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 OCC1=NC=C(F)C=C1 SPC-h241 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 OCC1=NC=C(F)C=N1 SPC-k787 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 OCC1=NN=C(Cl)C=C1 SPC-m095 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 SPC-t403 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.3 COC1=CN=C(C(=O)O)C=C1 SPC-k940 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.3 COC1=NC=C(B(O)O)C=C1 SPC-j894 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.3 COC1=NC=C(B(O)O)C=N1 SPC-k984 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.3 COC1=NC=C(C(=O)O)C=C1 SPC-t080 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 SPC-k202 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 SPC-t672 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 SPC-m416 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.3 OCC1=CC=C(B(O)O)C=C1 SPC-n859 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.83 COC1=CC=C(CNN)C=C1 SPC-j055 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.279 CSC1=NC=C(CO)C(Cl)=N1 SPC-r237 [0,1,0,0,0,0|2,1,0]=4 63 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 OCC1=CN=CN=C1 SPC-g744 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 OCC1=CN=NC=C1 SPC-j088 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 OCC1=NC=CC=N1 SPC-g700 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 OCC1=NC=CN=C1 SPC-g622 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 OCC1=NC=NC=C1 SPC-g987 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 OCC1=NN=CC=C1 SPC-g951 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 CC1=CN=C(Br)C=C1 SPC-g114 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 CC1=CN=C(F)C=C1 SPC-s869 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.3 CC1=NC=C(Br)C=C1 SPC-p658 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 CC1=NC=C(N)C=C1 SPC-n264 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.3 CC1=NC=C(O)C=N1 SPC-r244 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.3 CC1=NN=C(O)C=C1 SPC-g136 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.3 CC1=NN=C(O)C=C1 SPC-t081 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.3 OC1=CN=C(Br)C=C1 SPC-g192 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.3 OC1=CN=C(Cl)C=C1 SPC-g273 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.1 OCCC1=NC=C(Br)C=C1 SPC-p087 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.13 OB(O)C1=CC=C(F)C=C1 SPC-q618 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 OB(O)C1=CC=C(O)C=C1 SPC-s693 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 OC1=CN=C(C(F)F)C=C1 SPC-d143 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.25 COC1=C(Cl)C=C(N)N=C1 SPC-t002 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.25 COC1=C(F)C=C(Br)C=C1 SPC-g047 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.25 COC1=NC=C(Br)C=C1N SPC-g377 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.25 COC1=NC=C(Br)C=C1O SPC-r179 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.25 NC1=CC(Br)=CN=C1CO SPC-n732 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.25 NC1=CC(Cl)=CN=C1CO SPC-s673 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.25 OCC1=CC=C(Cl)N=C1Cl SPC-m583 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.25 OCC1=NC=C(Br)C=C1F SPC-j550 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.176 CN1C=C(CO)C=CC1=O SPC-i680 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.176 CN1C=CC(CN)=CC1=O SPC-j135 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.176 CN1C=CC(CO)=CC1=O SPC-j275 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.176 COC1=CC(Br)=C(C)N=C1 SPC-j935 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.176 COC1=CC(F)=C(Br)C=N1 SPC-t441 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.176 COC1=CC(N)=C(Br)C=N1 SPC-n191 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 SPC-s765 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 SPC-r195 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 SPC-t843 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 SPC-j651 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 SPC-k939 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.6 CNC1=CC=C(C(F)(F)F)C=C1 SPC-k692 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 SPC-u160 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 SPC-r180 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 SPC-v064 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.2 CN1C=CC=C(CO)C1=O SPC-j272 [0,0,1,1,0,0|2,0,0]=4 115 B12R2.44 COC1=CC2=C(C=C1)NN=C2 SPC-j448 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.44 COC1=CC2=C(C=CN2)C=C1 SPC-p812 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.44 COC1=NC=C2NCCC2=C1 SPC-u822 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.44 OCC1=CC2=C(C=C1)C=NN2 SPC-n999 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.44 OCC1=CC2=C(C=C1)NN=C2 SPC-j694 [0,1,0,1,0,0|1,0,1]=4 120 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 SPC-s759 [0,1,0,1,0,0|0,1,1]=4 121 B8R1.1 CC1=CNC(CO)=N1 SPC-q878 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.1 CN1C=C(CO)C=N1 SPC-j412 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.1 CN1C=CC(CO)=N1 SPC-n647 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.1 OCC1=CC=C(Cl)S1 SPC-j709 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.1 OCC1=CC=C(F)S1 SPC-m162 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.172 COC1=CC(C=O)=CN=C1 SPC-g844 [0,0,0,0,1,1|0,0,2]=4 127 B10R1.172 COC1=CN=CC(CN)=C1 SPC-n799 [0,0,0,0,1,1|1,0,0]=3 128 B10R1.172 COC1=NC(CN)=CC=N1 SPC-r247 [0,0,0,0,1,1|2,0,0]=4 129 B10R1.172 COC1=NC(CN)=NC=C1 SPC-k559 [0,0,0,0,1,1|2,0,0]=4 130 B10R1.172 COC1=NC(CO)=CC=N1 SPC-k902 [0,0,0,0,1,1|1,0,0]=3 131 B10R1.172 COC1=NC=CC(C=O)=C1 SPC-h062 [0,0,0,0,1,1|0,0,2]=4 132 B10R1.172 COC1=NC=CC(CCl)=C1 SPC-s960 [0,0,0,0,1,1|1,0,0]=3 133 B10R1.172 COC1=NC=CC(CN)=C1 SPC-j640 [0,0,0,0,1,1|1,0,0]=3