0 B9R1.11 CC(CN)N1C=CC=N1 BB05-4111 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.11 CC(CN)N1C=CC=N1 BB57-3091 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.11 CC(CN)N1C=NC=N1 BB58-1352 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CC(CO)N1C=NC=N1 BB12-3616 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.11 CCC(=O)C1=NC=CS1 BB55-8398 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.11 CCC(N)C1=NC=CS1 BB55-8407 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.11 C\C(=N\O)C1=CC=CS1 BB01-6607 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 CC(=O)C1=NC=CN1 BB58-3749 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 CC(C)C1=CC=NN1 BB12-3679 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 CC(C)C1=NC=NN1 BB58-1069 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 CC(N)C1=CSC=N1 BB55-8363 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 CC(N)C1=NC=CS1 BB55-8216 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.7 O=C([O-])C1=NC=CS1 BB54-4045 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 BrCCN1C=CC=N1 BB55-6368 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 CCCC1=CC=CS1 BB05-4767 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.8 CNCC1=CN=CS1 BB58-0523 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 CNCC1=NC=CN1 BB55-8370 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 CNCC1=NC=CS1 BB55-8215 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.8 COCC1=NC=CN1 BB58-3125 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.8 COCC1=NC=NN1 BB58-1064 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.8 NCCC1=CSC=N1 BB58-4849 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 NCCC1=NC=CN1 BB12-2787 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.8 NCCC1=NC=NN1 BB54-5250 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 NCCC1=NNC=C1 BB57-2155 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.9 CCC(CN)N1C=CC=N1 BB05-4117 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.9 CCC(CN)N1C=CC=N1 BB57-3095 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.9 CCC(CO)N1C=CC=N1 BB12-3599 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.9 COC(OC)C1=NC=NN1 BB58-3445 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.14 CC1=NN(C(C)CN)C=C1 BB05-4112 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.14 CC1=NN(C(C)CN)C=C1 BB57-3099 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.14 CCC(=O)C1=CC=C(C)S1 BB55-2281 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.14 CCC(=O)C1=NC(C)=CN1 BB57-7203 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.14 CCC(C)N1C=CC(N)=N1 BB05-2480 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.14 CCC(N)C1=CC=C(Cl)S1 BB55-1698 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.14 CCC(N)C1=NC(C)=CN1 BB58-1989 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.14 CCC(N)C1=NC(C)=NO1 BB12-3437 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.14 CCC(N)C1=NN(C)C=C1 BB58-0680 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.14 CNC(C)C1=CC=C(C)S1 BB55-8317 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.14 COC(C)C1=NN=C(N)S1 BB55-7881 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.14 CSC(C)C1=NN=C(N)S1 BB56-1744 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.14 [C-]#[N+]C(C)C1=CC=C(C)S1 BB56-1833 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.23 CC(C)C(N)C1=CC=CS1 BB01-4385 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.149 CCC(N)C1=NC=NN1C BB54-4942 [0,1,0,0,0,0|3,0,0]=4 44 B10R2.16 NC1(C2=CC=CO2)CC1 BB58-3661 [0,0,0,1,0,0|2,1,0]=4 45 B10R2.16 NC1(C2=CC=CS2)CC1 BB58-3662 [0,0,0,1,0,0|2,0,0]=3 46 B10R2.32 OC1CCN2C=CN=C12 BB58-5098 [0,0,0,1,0,0|2,0,0]=3 47 B10R2.136 C1=CN(C2CNC2)N=C1 BB58-3761 [0,0,0,1,0,0|3,0,0]=4 48 B10R2.136 C1=NC(C2CCC2)=NN1 BB12-3397 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.15 CC(NN)C1=CC=CN=C1 BB57-2140 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.27 CC(CN)CN1C=CC=N1 BB05-2465 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.27 O=C(CBr)NC1=NC=CS1 BB55-4992 [0,0,0,0,0,1|2,0,1]=4 56 B7R1.1 CCC1=NNC=C1 BB12-3522 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.1 CCC1=NNC=N1 BB12-3398 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.1 COC1=NN=CS1 BB12-3086 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.1 ClCC1=NC=CS1 BB55-8274 [2,0,0,0,0,0|1,0,0]=3 60 B7R1.1 NCC1=NC=CN1 BB12-2726 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.1 NCC1=NC=CS1 BB55-3479 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.19 CC(C)(C)C1=CNC=N1 BB12-2987 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.19 CC(C)(C)C1=NC=CN1 BB12-2884 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.19 CC(C)(C)C1=NNC=C1 BB57-0158 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.19 CC(C)(C)C1=NNC=N1 BB12-3429 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.35 CC(C)C1=CSC(N)=N1 BB55-1705 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.35 CC(C)C1=NC(Br)=CN1 BB12-3496 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.35 CC(C)C1=NC(Br)=NN1 BB55-5155 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.35 CC(C)C1=NC(Br)=NO1 BB12-3449 [1,1,0,0,0,0|1,1,0]=4 70 B9R1.35 CC(C)C1=NC(Cl)=NN1 BB58-0715 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.35 CC(C)C1=NN=C(Br)S1 BB57-3766 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.35 CC(C)C1=NN=C(Cl)S1 BB58-0824 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.35 CC(C)C1=NN=C(O)S1 BB57-2250 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.35 CC(C)C1=NNC(S)=N1 BB12-3427 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.35 CC(C)C1=NOC(Br)=N1 BB58-5044 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.35 CC(C)C1=NOC(N)=N1 BB12-3435 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.35 CC(C)N1C=C(O)C=N1 BB31-6987 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.35 CC(C)N1C=CC(N)=N1 BB05-2479 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.35 CC(N)C1=CC=C(Br)S1 BB55-0008 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.35 CC(N)C1=CC=C(Cl)S1 BB55-0009 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.35 CC(N)C1=NN=C(N)S1 BB55-7168 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.35 CC1=CN=C(C(C)N)S1 BB55-8340 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.35 CC1=CNC(C(C)N)=N1 BB58-1988 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.35 CC1=CSC(C(C)N)=N1 BB55-8327 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.35 CC1=NN(C(C)C)C=C1 BB57-1538 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.41 CC(C)N1N=CC=C1Br BB58-1976 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.41 CC(C)N1N=CC=C1N BB53-1799 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.7 CC1=CN=C(CC#N)S1 BB58-0520 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.7 CC1=NN=C(CCN)S1 BB12-2905 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.7 CCCC1=NC(Br)=CN1 BB12-3517 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.7 CCCC1=NC(N)=NO1 BB12-3446 [1,1,0,0,0,0|1,1,0]=4 92 B9R1.7 CCCC1=NN=C(Br)S1 BB58-0828 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.7 CCCC1=NN=C(Cl)S1 BB58-0825 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.7 CCCC1=NN=C(O)O1 BB12-3090 [1,1,0,0,0,0|1,1,0]=4 95 B9R1.7 CCCN1C=C(N)C=N1 BB05-4006 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.7 CCCN1C=C(N)C=N1 BB12-1645 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.7 CCCN1C=CC(N)=N1 BB05-2156 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.7 CCCN1C=CC(N)=N1 BB55-3923 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.7 CNCC1=CC=C(Br)S1 BB31-7407 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.7 CNCC1=NC(C)=CS1 BB55-8326 [1,1,0,0,0,0|1,0,0]=3 101 B9R1.7 CNCC1=NC=C(C)S1 BB55-8339 [1,1,0,0,0,0|1,0,0]=3 102 B9R1.7 CSCC1=NN=C(N)S1 BB56-1641 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.7 NCCC1=NN=C(N)S1 BB54-4927 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.12 BrCCCN1C=CC=N1 BB12-3122 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.12 CCNCC1=CC=CO1 BB01-4781 [1,1,0,0,0,0|1,1,0]=4 106 B9R1.12 CCNCC1=CSC=N1 BB12-3138 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.12 CCNCC1=NC=CN1 BB55-8371 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.12 CCNCC1=NC=CS1 BB55-8358 [1,1,0,0,0,0|0,0,0]=2 109 B9R1.12 CNCCC1=CC=CS1 BB55-8320 [1,1,0,0,0,0|1,0,0]=3 110 B9R1.12 NCCCC1=CC=CO1 BB01-5828 [1,1,0,0,0,0|1,1,0]=4 111 B9R1.12 NCCCC1=NC=CN1 BB57-3660 [1,1,0,0,0,0|1,0,0]=3 112 B9R1.12 NCCCN1C=CC=N1 BB56-2920 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [1,1,0,0,0,0|1,0,1]=4 114 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [1,1,0,0,0,0|1,0,0]=3 115 B9R1.13 CC(N)CC1=CC=CO1 BB01-4437 [1,1,0,0,0,0|1,1,0]=4 116 B9R1.13 CC(N)CC1=CC=CO1 BB05-3274 [1,1,0,0,0,0|1,1,0]=4 117 B9R1.13 CC(N)CN1C=CC=N1 BB57-3060 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.33 CCCN1N=CC=C1Br BB58-1975 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.33 CCCN1N=CC=C1C BB58-2011 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.33 CN1C=CN=C1CCN BB57-1489 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.2 CCC(CCN)N1C=CC=N1 BB05-2468 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.2 CCC(CCN)N1C=CC=N1 BB57-3075 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.11 CCC(CN)N1C=C(Cl)C=N1 BB05-4120 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.11 CCC(CN)N1C=C(Cl)C=N1 BB57-3093 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.11 CCC(CN)N1C=CC(C)=N1 BB05-4118 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.11 CCN(CC)C1=NN=C(N)S1 BB01-6463 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.15 CCOC(C)N1C=C(I)C=N1 BB05-5047 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.44 CCC(C)N1C=C(C=O)C=N1 BB05-3822 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.59 CCC(C)N1N=CC=C1C=O BB05-4557 [0,2,0,0,0,0|2,0,0]=4 130 B9R2.2 C1=NC(C2CC2)=NN1 BB12-3428 [1,0,0,1,0,0|2,0,0]=4 131 B9R2.3 C1=C2CCCC2=NN1 BB12-4185 [1,0,0,1,0,0|2,0,0]=4 132 B9R2.3 C1=NC2=C(CCC2)N1 BB58-0897 [1,0,0,1,0,0|2,0,0]=4 133 B11R2.2 C1=CC(C2CCCN2)=NO1 BB57-1444 [0,1,0,1,0,0|2,0,0]=4 134 B11R2.2 C1=CN(C2CCNC2)N=C1 BB58-3632 [0,1,0,1,0,0|2,0,0]=4 135 B11R2.2 C1=COC(C2CCCN2)=C1 BB05-3960 [0,1,0,1,0,0|1,1,0]=4 136 B11R2.2 C1=COC(C2CCCN2)=C1 BB56-0036 [0,1,0,1,0,0|1,1,0]=4 137 B11R2.2 C1=CSC(C2CCCN2)=C1 BB05-3961 [0,1,0,1,0,0|1,0,0]=3 138 B11R2.2 C1=CSC(C2CCCN2)=C1 BB55-3981 [0,1,0,1,0,0|1,0,0]=3 139 B11R2.2 C1=CSC(C2CCCN2)=N1 BB56-0885 [0,1,0,1,0,0|0,0,0]=2 140 B11R2.2 C1=NC(C2CCCC2)=NN1 BB12-3425 [0,1,0,1,0,0|2,0,0]=4 141 B11R2.2 C1=NC(C2CCNC2)=CN1 BB58-0331 [0,1,0,1,0,0|2,0,0]=4 142 B11R2.352 BrC1=NC(C2CCC2)=NN1 BB12-3396 [0,1,0,1,0,0|2,0,0]=4 143 B11R2.352 BrC1=NOC(C2CCC2)=N1 BB57-2437 [0,1,0,1,0,0|1,1,0]=4 144 B11R2.352 NC1=NC(C2CCC2)=NN1 BB57-3598 [0,1,0,1,0,0|2,0,0]=4 145 B11R2.352 NC1=NN=C(C2CCC2)S1 BB26-0027 [0,1,0,1,0,0|1,0,0]=3 146 B11R2.352 NC1=NOC(C2CCC2)=N1 BB57-2434 [0,1,0,1,0,0|1,1,0]=4 147 B11R2.352 OC1=NN=C(C2CCC2)O1 BB12-2989 [0,1,0,1,0,0|1,1,0]=4 148 B11R2.352 SC1=NNC(C2CCC2)=N1 BB12-3393 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.8 BrCCC1=NC=CC=C1 BB54-3597 [1,0,0,0,0,1|2,0,0]=4 150 B9R1.8 CCNC1=CC=CN=C1 BB58-1378 [1,0,0,0,0,1|2,0,0]=4 151 B9R1.8 CNCC1=NC=CC=C1 BB55-7031 [1,0,0,0,0,1|2,0,0]=4 152 B9R1.8 CNCC1=NC=CN=C1 BB54-5692 [1,0,0,0,0,1|2,0,0]=4 153 B9R1.8 CNCC1=NC=NC=C1 BB57-2309 [1,0,0,0,0,1|2,0,0]=4 154 B9R1.8 ClCCC1=NC=CC=C1 BB54-3546 [1,0,0,0,0,1|2,0,0]=4 155 B9R1.8 NCCC1=NC=CN=C1 BB55-7667 [1,0,0,0,0,1|2,0,0]=4 156 B9R1.8 OCCC1=NC=CC=C1 BB01-4800 [1,0,0,0,0,1|2,0,0]=4 157 B9R1.8 OCCC1=NC=CN=C1 BB57-7201 [1,0,0,0,0,1|2,0,0]=4 158 B11R1.40 CC(CN)OC1=CC=CN=C1 BB55-5172 [0,0,0,0,0,2|2,0,0]=4 159 B11R1.40 CNC(C)CC1=NC=CN=C1 BB55-6192 [0,0,0,0,0,2|2,0,0]=4