0 B9R1.22 CC1=C(C=O)N=C(Br)O1 1615AJ [0,0,0,0,0,0|4,0,0]=4 1 B9R1.22 CC1=CC(CN)=C(C)O1 Y8624 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,0,0,0,0,0|1,1,0]=2 3 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,0,0,0,0,0|1,1,1]=3 4 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [0,0,0,0,0,0|2,0,1]=3 5 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.22 CC1=NN(C)C(C=O)=C1 W4824 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.22 CC1=NN(C)C(CN)=C1 Y5453 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,0,0,0,0,0|3,0,1]=4 10 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 W3712 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 CC1=CC=C(CCl)S1 4231AB [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 CC1=CC=C(CN)S1 V3761 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 CC1=CC=C(CN)S1 Z2080 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 CC1=CC=C(CO)S1 V7056 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 CC1=NC=C(C=O)O1 4199AC [1,0,0,0,0,0|1,1,0]=3 16 B8R1.1 CC1=NC=C(CN)S1 9600AB [1,0,0,0,0,0|1,0,1]=3 17 B8R1.1 CC1=NC=C(CO)O1 8519AH [1,0,0,0,0,0|1,1,1]=4 18 B8R1.1 CC1=NN=C(CCl)S1 1703AC [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC1=NN=C(NN)S1 6853AC [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [1,0,0,0,0,0|1,0,2]=4 22 B8R1.1 O=CC1=CC=C(I)S1 7666AB [1,0,0,0,0,0|3,0,0]=4 23 B8R1.11 CC1=C(C#N)SN=N1 8224AJ [1,0,0,0,0,0|2,0,1]=4 24 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.11 CC1=C(C=O)C=CS1 3068AC [1,0,0,0,0,0|3,0,0]=4 26 B8R1.11 CC1=C(C=O)N=CS1 2250AB [1,0,0,0,0,0|3,0,0]=4 27 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.11 CC1=C(C=O)OC=N1 5034AD [1,0,0,0,0,0|1,1,0]=3 29 B8R1.11 CC1=C(C=O)SN=C1 4154AC [1,0,0,0,0,0|3,0,0]=4 30 B8R1.11 CC1=C(CN)SC=N1 3343AC [1,0,0,0,0,0|1,0,1]=3 31 B8R1.11 CC1=C(CO)OC=N1 3918AE [1,0,0,0,0,0|1,1,1]=4 32 B8R1.11 CC1=C(CO)SC=C1 W7564 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.11 NC1=C(C=O)SC=C1 8259AB [1,0,0,0,0,0|3,0,0]=4 34 B8R1.11 OCC1=C(Cl)N=CS1 0635AA [1,0,0,0,0,0|2,0,1]=4 35 B8R1.18 BrC1=NC(Br)=C(Br)S1 8423AB [1,0,0,0,0,0|3,0,0]=4 36 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [1,0,0,0,0,0|2,0,1]=4 37 B8R1.18 CC1=C(Br)SC(Br)=N1 Y5554 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.18 CC1=C(C)NC(Cl)=N1 8068AC [1,0,0,0,0,0|2,0,1]=4 39 B8R1.18 CC1=C(C)NC(N)=N1 6648AA [1,0,0,0,0,0|2,0,1]=4 40 B8R1.18 CC1=C(C)OC(S)=N1 V7193 [1,0,0,0,0,0|1,1,1]=4 41 B8R1.18 CC1=C(Cl)SC(Cl)=C1 F300 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.18 CC1=CC(S)=C(C)O1 U424 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.18 CC1=NC(C)=C(Br)O1 3116AJ [1,0,0,0,0,0|1,1,0]=3 44 B8R1.18 CC1=NN(C)C(Br)=N1 5749AE [1,0,0,0,0,0|3,0,0]=4 45 B8R1.18 CC1=NN(C)N=C1Br 6070AC [1,0,0,0,0,0|3,0,0]=4 46 B10R1.34 CC1=CC(C=O)=C(C)N1C 5345AE [0,1,0,0,0,0|2,0,1]=4 47 B10R1.35 CCN1C=C(C=O)C(C)=N1 Y5512 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.59 CC(=O)C1=C(C)N=C(C)O1 7834AD [0,1,0,0,0,0|0,1,1]=3 49 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 W6043 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 W8979 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.59 CC1=C(C(N)=O)SC(N)=N1 3943AE [0,1,0,0,0,0|2,0,0]=3 52 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 J11007 [0,1,0,0,0,0|1,1,0]=3 53 B10R1.59 CC1=NN(C)C=C1C(=O)O 2324AC [0,1,0,0,0,0|3,0,0]=4 54 B10R1.130 CC1=C(CCBr)SC(N)=N1 V3276 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.130 CC1=NC(C)=C(CCN)S1 6967AA [0,1,0,0,0,0|0,0,2]=3 56 B10R2.2 BrC1=NC2=C(CCC2)S1 1622AA [0,0,0,1,0,0|1,0,2]=4 57 B10R2.2 CC1=CN2C=CSC2=N1 4960AB [0,0,0,1,0,0|3,0,0]=4 58 B10R2.2 CC1=NC2=C(C=CS2)S1 C920 [0,0,0,1,0,0|1,0,0]=2 59 B10R2.2 CC1=NC2=C(CNC2)S1 3130AA [0,0,0,1,0,0|1,0,1]=3 60 B10R2.2 NC1=NC2=C(CCC2)S1 7512AB [0,0,0,1,0,0|1,0,2]=4 61 B10R2.2 SC1=NC2=C(CCC2)S1 2101AF [0,0,0,1,0,0|1,0,2]=4 62 B10R1.8 CC1=CC(C=O)=CC(Cl)=N1 6577AB [0,0,0,0,0,1|3,0,0]=4 63 B10R1.8 CC1=CC(CCl)=CC(C)=N1 3621AA [0,0,0,0,0,1|2,0,1]=4 64 B10R1.8 CNC1=CC(C)=NC(C)=C1 0035AB [0,0,0,0,0,1|2,0,1]=4 65 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [0,0,0,0,0,1|3,0,0]=4 66 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.25 CC1=NC=C(CN)C(C)=N1 4205AB [0,0,0,0,0,1|2,0,1]=4 70 B10R1.25 COC1=C(C)N=C(C)N=C1 6536AA [0,0,0,0,0,1|2,0,1]=4 71 B10R1.30 CC1=CC(C=O)=C(N)N=C1 Z3812 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.30 CC1=CN=C(C)C(C#N)=N1 1801AB [0,0,0,0,0,1|2,0,1]=4 73 B10R1.30 CC1=CN=C(F)C(C=O)=C1 Y3740 [0,0,0,0,0,1|3,0,0]=4 74 B7R1.1 C=CN1C=NC=N1 0150AQ [2,0,0,0,0,0|2,0,0]=4 75 B7R1.1 NCC1=CN=CS1 7784AH [2,0,0,0,0,0|1,0,1]=4 76 B7R1.1 O=CC1=CN=CO1 X9341 [2,0,0,0,0,0|1,1,0]=4 77 B7R1.2 BrC1=NC=C(I)S1 X8877 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 CC1=CC(N)=CS1 Z4474 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.2 CC1=CC=C(Cl)S1 8881AA [2,0,0,0,0,0|2,0,0]=4 80 B7R1.2 CC1=CC=C(N)S1 5777AB [2,0,0,0,0,0|2,0,0]=4 81 B7R1.2 CC1=COC(Br)=N1 X8790 [2,0,0,0,0,0|1,1,0]=4 82 B7R1.2 CC1=COC(C)=N1 5323AL [2,0,0,0,0,0|0,1,0]=3 83 B7R1.2 CC1=CSC(Br)=C1 7530AB [2,0,0,0,0,0|2,0,0]=4 84 B7R1.2 CC1=CSC(N)=C1 5740AC [2,0,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1=NC(Br)=CN1 W3545 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.2 CC1=NC(N)=CS1 7776AC [2,0,0,0,0,0|1,0,0]=3 87 B7R1.2 CC1=NC=C(N)S1 Z5289 [2,0,0,0,0,0|1,0,0]=3 88 B7R1.2 CC1=NN(C)N=C1 8968AB [2,0,0,0,0,0|2,0,0]=4 89 B7R1.2 CC1=NSC(N)=N1 3695AA [2,0,0,0,0,0|2,0,0]=4 90 B7R1.2 ClC1=NC=C(Br)S1 3170AB [2,0,0,0,0,0|2,0,0]=4 91 B7R1.2 NC1=NC(Br)=CS1 W6557 [2,0,0,0,0,0|2,0,0]=4 92 B7R1.4 CC1=C(Br)N=CS1 5945AA [2,0,0,0,0,0|1,0,1]=4 93 B7R1.4 CC1=C(C)OC=N1 X5138 [2,0,0,0,0,0|0,1,1]=4 94 B7R1.4 CC1=C(Cl)SN=N1 5149AE [2,0,0,0,0,0|2,0,0]=4 95 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [1,1,0,0,0,0|2,0,0]=4 96 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [1,1,0,0,0,0|1,0,0]=3 97 B9R1.21 COC1=CC=C(C=O)S1 4303AB [1,1,0,0,0,0|2,0,0]=4 98 B9R1.21 COC1=NC=C(C=O)S1 W9748 [1,1,0,0,0,0|1,0,0]=3 99 B9R1.21 CSC1=CC=C(C=O)S1 Z2926 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [1,1,0,0,0,0|2,0,0]=4 101 B9R1.35 CC1=NN=C(C(=O)O)S1 6856AB [1,1,0,0,0,0|2,0,0]=4 102 B9R1.35 NC(=O)C1=CN=C(N)S1 V6386 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.132 CC1=NC=C(C=O)N1C Y8403 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.33 CC1=C(CCCl)SC=N1 9622AJ [1,1,0,0,0,0|0,0,2]=4 105 B9R1.33 CC1=C(CCCl)SC=N1 X5631 [1,1,0,0,0,0|0,0,2]=4 106 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [1,1,0,0,0,0|1,0,1]=4 107 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [1,1,0,0,0,0|0,0,1]=3 108 B9R1.41 CC1=C(C(=O)Cl)OC=N1 Y9645 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.41 CC1=C(C(=O)O)NC=N1 4426AD [1,1,0,0,0,0|2,0,0]=4 110 B9R1.41 O=C(O)C1=C(Cl)N=CS1 9502AJ [1,1,0,0,0,0|2,0,0]=4 111 B9R1.37 CC1=C(C)C(I)=C(C)S1 2438AL [1,1,0,0,0,0|1,0,1]=4 112 B9R1.37 CC1=NC(C)=C(C)N1C 4404AL [1,1,0,0,0,0|1,0,1]=4 113 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 1375AL [0,1,0,0,0,1|1,0,1]=4 114 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 3341AC [0,1,0,0,0,1|2,0,0]=4 115 B11R1.279 COC1=CC=C(C=O)C(C)=N1 Z0230 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.49 COC1=C(C(=O)O)SC(C)=C1 2845AC [0,2,0,0,0,0|2,0,0]=4 117 B11R1.48 CC1=C(CN)SC(C(C)C)=N1 0108AD [0,2,0,0,0,0|1,0,1]=4 118 B11R1.50 CCC1=NC(C)=C(C(=O)O)O1 X6011 [0,2,0,0,0,0|1,1,0]=4 119 B11R1.187 COCC1=NC(C)=C(CN)S1 0215AD [0,2,0,0,0,0|1,0,1]=4 120 B11R1.225 CC1=NC(C)=C(C(=O)NN)O1 2365AF [0,2,0,0,0,0|1,1,0]=4 121 B11R1.646 CC1=NC(C)=C(S(N)(=O)=O)S1 9967AE [0,2,0,0,0,0|2,0,0]=4 122 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 4100AB [0,2,0,0,0,0|0,0,1]=3 123 B9R1.34 CC1=CC(N)=NC(S)=N1 Z2808 [0,0,1,1,0,0|2,0,0]=4 124 B11R2.36 CC1=CC=C2C=CNC2=N1 W8621 [0,0,0,1,0,1|2,0,0]=4 125 B11R2.36 CC1=NC=C2C=CNC2=N1 4885AC [0,0,0,1,0,1|2,0,0]=4 126 B11R2.10 CC1=NC2=C(CNCC2)S1 X9584 [0,1,0,1,0,0|0,0,2]=4 127 B11R2.10 ClC1=NC2=NC=CC=C2S1 3260AA [0,1,0,1,0,0|1,0,1]=4 128 B11R2.10 NC1=NC2=C(C=CC=C2)S1 5495AL [0,1,0,1,0,0|1,0,1]=4 129 B11R2.10 NC1=NC2=C(C=NC=C2)S1 X8878 [0,1,0,1,0,0|1,0,1]=4 130 B11R2.10 NC1=NC2=C(N=CC=C2)S1 3479AB [0,1,0,1,0,0|1,0,1]=4 131 B11R2.10 SC1=NC2=NC=CC=C2S1 V9923 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [1,0,0,0,0,1|1,0,0]=3