0 B9R1.22 CC1=CC(C=O)=C(C)S1 Z5494 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.22 CC1=NC(CO)=C(C)O1 Y4729 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.22 CC1=NN(C)C(C#N)=C1 Z2970 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.22 CC1=NN(C)C=C1CN 5312AB [0,0,0,0,0,0|3,0,1]=4 4 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 W8627 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.22 O=CC1=C(Br)N=C(Br)S1 W3054 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 W9580 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.22 OCC1=C(Br)N=C(Br)S1 W3711 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=CC=C(C#N)S1 1306AC [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 CC1=NC(C=O)=CS1 W4388 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.1 CC1=NC=C(C=O)S1 X8494 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.1 CC1=NC=C(CO)S1 8183AB [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 N#CC1=CN=C(Br)S1 W6310 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 N#CC1=CN=C(Cl)S1 V2139 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 N#CC1=CN=C(N)S1 W6649 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 NC1=NC=C(C=O)S1 Z5346 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.1 NCC1=CN=C(Cl)S1 W3344 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 NCC1=CN=C(Cl)S1 X9440 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 OCC1=CN=C(Br)S1 W7872 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 OCC1=CN=C(Cl)S1 W3166 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.11 C=CC1=C(C)N=CS1 5880AD [1,0,0,0,0,0|0,0,0]=1 22 B8R1.11 CC1=C(C#N)SC=C1 V6586 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.11 CC1=C(C=O)NC=C1 1713AB [1,0,0,0,0,0|3,0,0]=4 24 B8R1.11 CC1=NNC=C1C=O X9029 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.11 CN1N=CC=C1C=O W5036 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.11 O=CC1=C(Cl)C=CS1 V7231 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.11 OCC1=C(Br)N=CS1 W4969 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.18 CC1=C(Br)N=C(Br)S1 Z3973 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.18 CC1=C(Br)NC(Br)=N1 V0763 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.18 CC1=C(C)SC(N)=N1 Y9901 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.18 CC1=C(C)SC(S)=N1 Y9375 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.18 CC1=C(I)NC(I)=N1 V1383 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.18 CC1=CC(C)=C(Br)S1 0587AQ [1,0,0,0,0,0|2,0,0]=3 34 B8R1.18 CC1=NC(Br)=C(C)S1 V8938 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.18 CC1=NC(C)=C(Br)S1 Y8561 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.18 CC1=NC(C)=C(C)O1 0593AB [1,0,0,0,0,0|0,1,1]=3 37 B8R1.18 CC1=NN(C)C(Br)=C1 Y9520 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.18 CC1=NN(C)C=C1Br V6734 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.18 CC1=NN(C)C=C1I 7666AE [1,0,0,0,0,0|3,0,0]=4 40 B8R1.18 CC1=NN(C)C=C1N 0168AB [1,0,0,0,0,0|3,0,0]=4 41 B8R1.18 CC1=NN(C)C=C1N 9883AB [1,0,0,0,0,0|3,0,0]=4 42 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 X6375 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 W7822 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 Y8355 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 X9953 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 W7409 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.130 C=CCN1N=C(C)C=C1C 4745AL [0,1,0,0,0,0|3,0,0]=4 48 B10R1.256 CC1=NN(C)C(C)=C1C=O Y8501 [0,1,0,0,0,0|3,0,0]=4 49 B10R2.2 BrC1=CC2=C(C=CS2)S1 1967AB [0,0,0,1,0,0|3,0,0]=4 50 B10R1.25 CC1=CC=C(C=O)C(C)=N1 Y9726 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 Y4688 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.25 CC1=CC=C(CO)C(C)=N1 6029AE [0,0,0,0,0,1|2,0,1]=4 53 B10R1.25 CC1=NC(Cl)=CC=C1C=O Z0990 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.25 CCC1=NC=C(C)N=C1C 6750AA [0,0,0,0,0,1|1,0,2]=4 55 B7R1.1 C=CC1=CN=CN1 4743AB [2,0,0,0,0,0|1,0,0]=3 56 B7R1.1 C=CC1=NC=CS1 Y1855 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.1 ClCC1=CN=CS1 Z4079 [2,0,0,0,0,0|1,0,1]=4 58 B7R1.1 N#CC1=CN=CS1 W4910 [2,0,0,0,0,0|1,0,1]=4 59 B7R1.1 NCC1=CN=CS1 7784AH [2,0,0,0,0,0|1,0,1]=4 60 B7R1.1 NCC1=CN=CS1 W3518 [2,0,0,0,0,0|1,0,1]=4 61 B7R1.1 NCC1=CN=CS1 Z3440 [2,0,0,0,0,0|1,0,1]=4 62 B7R1.2 CC1=CC=C(C)N1 9441AB [2,0,0,0,0,0|1,0,1]=4 63 B7R1.2 CC1=CC=C(I)S1 Z5470 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.2 CC1=CN=C(Cl)S1 W5507 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.2 CC1=CNC(Br)=N1 Y8369 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.2 CC1=COC(N)=N1 W5715 [2,0,0,0,0,0|1,1,0]=4 67 B7R1.2 CC1=CSC(Br)=C1 7530AB [2,0,0,0,0,0|2,0,0]=4 68 B7R1.2 CC1=CSC(Br)=N1 W8107 [2,0,0,0,0,0|1,0,0]=3 69 B7R1.2 CC1=CSC(C)=C1 X6352 [2,0,0,0,0,0|1,0,0]=3 70 B7R1.2 CC1=CSC(Cl)=N1 Y8510 [2,0,0,0,0,0|1,0,0]=3 71 B7R1.2 CC1=CSC(N)=N1 9210AB [2,0,0,0,0,0|1,0,0]=3 72 B7R1.2 CC1=NC(Br)=CS1 X4179 [2,0,0,0,0,0|1,0,0]=3 73 B7R1.2 CC1=NC(I)=CN1 W8177 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.2 CC1=NN=C(Br)S1 W6838 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.2 CC1=NN=C(C)S1 5370AL [2,0,0,0,0,0|1,0,1]=4 76 B7R1.2 CC1=NN=C(Cl)S1 5148AE [2,0,0,0,0,0|2,0,0]=4 77 B7R1.2 CC1=NSC(Cl)=N1 W4503 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 ClC1=CN=C(Br)S1 W3617 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.2 NC1=CSC(N)=N1 Z5019 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.2 NC1=NC(O)=CS1 Z1669 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.2 NC1=NC=C(Br)S1 W5275 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.2 NC1=NC=C(F)S1 1572AC [2,0,0,0,0,0|2,0,0]=4 83 B7R1.4 CC1=C(Br)N=CS1 5945AA [2,0,0,0,0,0|1,0,1]=4 84 B7R1.4 CC1=C(Br)SC=N1 Y7050 [2,0,0,0,0,0|1,0,0]=3 85 B7R1.4 CC1=C(C)NC=N1 7566AB [2,0,0,0,0,0|1,0,1]=4 86 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [1,1,0,0,0,0|1,0,0]=3 87 B9R1.21 COC1=NC=C(C=O)S1 W9748 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.35 CC1=NC=C(C(=O)O)O1 Y5240 [1,1,0,0,0,0|1,1,0]=4 89 B9R1.35 NC(=O)C1=CN=C(Br)S1 W8754 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.14 COC1=C(C=O)SC=C1 4328AB [1,1,0,0,0,0|2,0,0]=4 91 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [1,1,0,0,0,0|0,0,1]=3 92 B9R1.41 CC1=C(C(N)=O)SN=N1 9076AA [1,1,0,0,0,0|2,0,0]=4 93 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 Y9408 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 8698AB [0,1,0,0,0,1|2,0,0]=4 95 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 1550AC [0,1,0,0,0,1|2,0,0]=4 96 B11R1.464 C=CC1=C(C)C=C(C)C=C1C 5273AL [0,1,0,0,0,1|2,0,0]=4 97 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 Z4478 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 X9398 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.48 CN(C)C1=NC(Cl)=C(C=O)S1 5591AH [0,2,0,0,0,0|2,0,0]=4 100 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 1762AJ [0,2,0,0,0,0|1,0,0]=3 101 B11R1.225 CC1=NC(C)=C(C(=O)NN)O1 2365AF [0,2,0,0,0,0|1,1,0]=4 102 B11R1.646 CC1=NC(C)=C(S(=O)(=O)Cl)S1 W8542 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=NC=C(Br)C(C)=N1 X6083 [0,0,1,1,0,0|2,0,0]=4 104 B9R1.69 CC1=NC=C(O)C(C)=N1 Z4724 [0,0,1,1,0,0|2,0,0]=4 105 B9R1.34 CC1=CC(Cl)=CC(C)=N1 X3033 [0,0,1,1,0,0|2,0,0]=4 106 B9R1.34 CC1=CC(N)=CC(C)=N1 W5678 [0,0,1,1,0,0|2,0,0]=4 107 B11R2.36 CC1=CC=C2C=CNC2=N1 W8621 [0,0,0,1,0,1|2,0,0]=4 108 B11R2.10 BrC1=NC2=CC=CN=C2S1 W6173 [0,1,0,1,0,0|1,0,1]=4 109 B11R2.10 CC1=CC2=C(C=CC=C2)S1 3343AA [0,1,0,1,0,0|1,0,1]=4 110 B11R2.10 CC1=NC2=CC=CN=C2N1 V7266 [0,1,0,1,0,0|1,0,1]=4 111 B11R2.10 CC1=NC2=NC=CC=C2O1 W8875 [0,1,0,1,0,0|0,1,1]=4 112 B11R2.10 ClC1=NC2=CC=CN=C2S1 Z5341 [0,1,0,1,0,0|1,0,1]=4 113 B11R2.10 ClC1=NC2=NC=CC=C2S1 W3319 [0,1,0,1,0,0|1,0,1]=4 114 B11R2.10 FC1=NC2=CC=CC=C2S1 Y7071 [0,1,0,1,0,0|1,0,1]=4 115 B11R2.10 SC1=NC2=C(C=NC=C2)S1 9765AC [0,1,0,1,0,0|1,0,1]=4 116 B11R2.10 SC1=NC2=CC=CN=C2S1 V6699 [0,1,0,1,0,0|1,0,1]=4 117 B11R2.10 SC1=NC2=NC=CC=C2S1 V9923 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.1 C=CC1=CN=C(C)C=C1 Q615 [1,0,0,0,0,1|1,0,0]=3 119 B9R1.1 CC1=CN=C(C=O)C=N1 Y9267 [1,0,0,0,0,1|2,0,0]=4 120 B9R1.1 CC1=NC=C(C=O)C=C1 W6750 [1,0,0,0,0,1|2,0,0]=4 121 B9R1.1 CC1=NC=C(C=O)C=N1 W9344 [1,0,0,0,0,1|2,0,0]=4