0 B9R1.22 CC1=CC(C=O)=C(C)N1 BB17-1648 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.22 CC1=CC(C=O)=C(C)S1 BB05-1785 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.22 CC1=CC(CO)=C(C)O1 BB55-8893 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.22 CC1=CN(C)C(C=O)=N1 BB58-4995 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.22 CC1=NC(C)=C(CN)S1 BB12-3139 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.22 CC1=NC(C)=C(CO)O1 BB55-6497 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.22 CC1=NC(CCl)=C(C)S1 BB58-2105 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.22 CC1=NC(CO)=C(C)S1 BB58-2104 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.22 CC1=NN(C)C(CN)=C1 BB05-1534 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.22 CC1=NN(C)C(CN)=C1 BB57-3049 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.22 CC1=NN(C)C=C1C#N BB57-2060 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.22 CC1=NN(C)C=C1C=O BB05-0117 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.22 CC1=NN(C)C=C1CCl BB57-2286 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.22 CC1=NN(C)C=C1CN BB05-0317 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.22 CC1=NN(C)C=C1CN BB55-0062 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.22 CC1=NN(C)C=C1CO BB05-0305 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.22 CC1=NN(C)C=C1CO BB57-1207 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.1 CC1=CC=C(CCl)S1 BB58-3265 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CC1=CC=C(CN)S1 BB55-8315 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC1=CC=C(CO)S1 BB90-0120 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 CC1=CN=C(C=O)S1 BB55-8345 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CC1=NC=C(C=O)S1 BB54-4113 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.1 CC1=NN=C(CCl)S1 BB57-4125 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 CC1=NN=C(CN)S1 BB12-3134 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 CC1=NN=C(NN)S1 BB54-3103 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=NNC(C=O)=C1 BB05-1250 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 CN1C=C(C=O)C=N1 BB12-1724 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 COC1=NN=C(C)S1 BB12-3036 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 N#CC1=CN=C(N)S1 BB55-6536 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 NC1=NC=C(C=O)S1 BB57-0379 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.1 NC1=NC=C(CO)S1 BB57-4003 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.1 O=CC1=CC=C(Cl)S1 BB05-2319 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 O=CC1=CN=C(Cl)S1 BB55-8396 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.11 CC1=C(C=O)NC=N1 BB12-3119 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.11 CC1=C(CBr)SC=N1 BB58-3269 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.11 CC1=C(CCl)NC=N1 BB12-3020 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.11 CC1=C(CCl)SC=N1 BB12-3521 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.11 CC1=C(CCl)SN=N1 BB54-4563 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.11 CC1=C(CN)NC=N1 BB12-3035 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.11 CC1=C(CN)SC=C1 BB12-1657 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.11 CC1=C(CN)SC=N1 BB55-8332 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.11 CC1=C(CN)SN=N1 BB54-4764 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.11 CC1=C(CO)SN=N1 BB54-4562 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.11 CN1N=CC=C1C=O BB05-1119 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.11 CN1N=CC=C1C=O BB55-3814 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.18 CC1=C(Br)N=C(Br)S1 BB58-1106 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.18 CC1=C(Br)SC(N)=N1 BB12-1711 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.18 CC1=C(C)NC(Cl)=N1 BB52-6880 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.18 CC1=C(C)OC(N)=N1 BB57-2244 [1,0,0,0,0,0|1,1,1]=4 49 B8R1.18 CC1=C(C)SC(Br)=N1 BB12-3700 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.18 CC1=C(C)SC(N)=N1 BB20-1430 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.18 CC1=NN(C)C(Br)=N1 BB57-3003 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.18 CC1=NN(C)C(Cl)=N1 BB57-3704 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.18 CC1=NN(C)C(O)=C1 BB57-4643 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.18 CC1=NN(C)C=C1Br BB54-4392 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.18 CC1=NN(C)C=C1Cl BB55-3443 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.18 CC1=NN(C)C=C1I BB57-1271 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.18 CC1=NN(C)C=C1N BB05-2983 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.18 CC1=NN(C)C=C1N BB55-3821 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.32 CC1=NC(CO)=C(CO)N1 BB58-2903 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.32 CCC1=C(CN)SC(C)=N1 BB12-3374 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.35 CCN1C=C(C=O)C(C)=N1 BB55-3813 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.35 COC1=NC(C)=C(C=O)S1 BB58-3684 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.35 COC1=NC(Cl)=C(C=O)S1 BB58-0499 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.59 CC(=O)C1=CN(C)N=C1C BB55-2245 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.59 CC1=C(C(=O)O)SC(=O)N1 BB58-1029 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BB55-8559 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.59 CC1=NC(C)=C(C(=O)O)N1 BB58-2036 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB54-4237 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.59 CC1=NN(C)C=C1C(=O)Cl BB55-4532 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.59 CC1=NN(C)C=C1C(=O)O BB54-1517 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.130 CC1=NN(C)C=C1\C=N/O BB05-0306 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.256 CC1=NN(C)C(C)=C1C=O BB12-1500 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.256 CC1=NN(C)C(C=O)=C1Cl BB05-4763 [0,1,0,0,0,0|3,0,0]=4 75 B10R2.2 NC1=NC2=C(CCC2)S1 BB57-6038 [0,0,0,1,0,0|1,0,2]=4 76 B10R1.8 CC1=NC(C)=NC(NN)=C1 BB53-1600 [0,0,0,0,0,1|3,0,0]=4 77 B7R1.1 ClCC1=CN=CS1 BB58-0522 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.1 N#CC1=CN=CS1 BB58-0516 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.1 NCC1=CN=CS1 BB57-0140 [2,0,0,0,0,0|1,0,1]=4 80 B7R1.1 O=CC1=CN=CS1 BB55-8342 [2,0,0,0,0,0|1,0,0]=3 81 B7R1.2 CC1=CC=C(N)S1 BB55-4553 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.2 CC1=CN=C(Br)S1 BB58-1104 [2,0,0,0,0,0|1,0,1]=4 83 B7R1.2 CC1=NN=C(Cl)S1 BB12-3129 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.2 CC1=NN=C(I)S1 BB54-5548 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1=NN=C(N)S1 BB54-0766 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.2 CC1=NN=C(O)S1 BB12-3088 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.2 CC1=NNC(C)=N1 BB12-3420 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.2 NC1=NC=C(Br)S1 BB20-3405 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.4 CC1=C(Br)N=CS1 BB58-1110 [2,0,0,0,0,0|1,0,1]=4 90 B7R1.4 CC1=C(Br)SC=C1 BB56-2325 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.21 COC1=NC=C(C=O)S1 BB55-8397 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.21 COC1=NC=C(CO)S1 BB55-8399 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.23 CC1=C(Br)C=C(C=O)S1 BB05-0499 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB55-5571 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.35 CC1=CC=C(C(N)=S)S1 BB50-0406 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.35 CC1=NC=C(C(=O)O)N1 BB90-0104 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.35 CC1=NC=C(C(=O)O)S1 BB57-5871 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.35 NC1=NC=C(C(=O)O)S1 BB57-4014 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.132 CC1=NC=C(C=O)N1C BB55-0045 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.33 CC1=C(CCN)SC=N1 BB55-8331 [1,1,0,0,0,0|0,0,2]=4 101 B9R1.33 CC1=C(\C=N\O)SC=N1 BB20-3315 [1,1,0,0,0,0|1,0,0]=3 102 B9R1.33 CNCC1=C(C)N=CS1 BB55-8334 [1,1,0,0,0,0|0,0,2]=4 103 B9R1.41 CC(=O)C1=C(C)N=CS1 BB57-3729 [1,1,0,0,0,0|0,0,1]=3 104 B9R1.41 CC1=C(C(=O)O)NC=N1 BB12-3121 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 BB12-3625 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.48 CC1=C(C=O)SC(N(C)C)=N1 BB58-0372 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.48 CC1=C(CN)SC(C(C)C)=N1 BB12-3141 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.187 COCC1=NC(C)=C(CN)S1 BB12-3140 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.225 CC1=NC(C)=C(C(=O)NN)O1 BB55-6494 [0,2,0,0,0,0|1,1,0]=4 111 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 BB05-0106 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 BB55-0099 [0,2,0,0,0,0|1,0,1]=4 113 B9R1.69 CC1=NC(C)=C(N)C=C1 BB54-2202 [0,0,1,1,0,0|2,0,0]=4 114 B9R1.69 CC1=NC(C)=C(O)C=C1 BB54-5298 [0,0,1,1,0,0|2,0,0]=4 115 B9R1.34 CC1=CC(C)=NC(S)=N1 BB12-2677 [0,0,1,1,0,0|1,0,1]=4 116 B9R1.34 CC1=NC(C)=NC(O)=C1 BB12-0059 [0,0,1,1,0,0|2,0,0]=4 117 B11R2.10 CC1=NC2=CC=CC=C2N1 BB01-2789 [0,1,0,1,0,0|1,0,1]=4 118 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,1,0,1,0,0|0,1,1]=4 119 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [0,1,0,1,0,0|1,0,1]=4 120 B11R2.10 CC1=NC2=CN=CC=C2N1 BB58-3066 [0,1,0,1,0,0|1,0,1]=4 121 B11R2.10 NC1=NC2=C(N=CC=C2)S1 BB56-2479 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.1 CC1=CN=C(C=O)C=N1 BB58-1329 [1,0,0,0,0,1|2,0,0]=4