0 B7R1.3 NC1=NN=CC=C1 4030375 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=CN=CC=C1 4034752 [0,1,0,0,0,0|2,0,0]=3 2 B8R1.2 C#CC1=CN=CN=C1 4035047 [0,1,0,0,0,0|3,0,0]=4 3 B8R1.2 ClCC1=NC=CC=N1 4009659 [0,1,0,0,0,0|3,0,0]=4 4 B8R1.2 N#CC1=CC=CN=N1 4036463 [0,1,0,0,0,0|3,0,0]=4 5 B8R1.2 NNC1=CC=CN=C1 4019584 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.2 NNC1=CC=NC=C1 4100548 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.2 NNC1=NC=CC=N1 4088465 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.2 NNC1=NC=CC=N1 4100952 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.3 CC1=CN=C(N)N=C1 5264664 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.3 CC1=CN=C(O)N=C1 4044366 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.3 CC1=NC=C(Br)C=N1 4044350 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.3 FC1=CN=C(Br)N=C1 4092756 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.3 NC1=CC=C(I)C=N1 3001813 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.3 OC1=CC=C(O)N=C1 4030644 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.3 OC1=NN=C(Br)C=C1 4035405 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.4 CC1=CC(O)=NN=C1 4108288 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 CC1=CC=NC(O)=N1 4040424 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.4 CC1=CC=NC(O)=N1 4089730 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.4 CC1=NC(Cl)=CC=N1 4015462 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.4 CC1=NC=NC(N)=C1 9072006 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.4 OC1=NC(Cl)=CN=C1 4042614 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.5 CC1=C(O)N=CN=C1 4043028 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.5 CC1=NC=CN=C1Br 4002958 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.5 NC1=CC=CN=C1O 4034758 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 BrC1=CSC=N1 4108309 [0,0,0,0,1,0|3,0,0]=4 32 B6R1.2 BrC1=CSN=C1 4039606 [0,0,0,0,1,0|3,0,0]=4 33 B6R1.2 BrC1=NC=CO1 4039122 [0,0,0,0,1,0|3,0,0]=4 34 B6R1.2 NC1=NOC=C1 4034713 [0,0,0,0,1,0|3,0,0]=4 35 B6R1.2 O=C1NC=CN1 4029600 [0,0,0,0,1,0|2,0,1]=4 36 B6R1.2 OC1=CNN=C1 4037184 [0,0,0,0,1,0|2,0,0]=3 37 B6R1.2 OC1=NN=CO1 4044051 [0,0,0,0,1,0|3,0,0]=4 38 B6R1.2 OC1=NN=CS1 4044252 [0,0,0,0,1,0|3,0,0]=4 39 B7R1.1 NCC1=CSC=C1 4089439 [0,1,0,0,1,0|2,0,0]=4 40 B7R1.1 NCC1=CSC=C1 4100798 [0,1,0,0,1,0|2,0,0]=4 41 B7R1.1 OCC1=CNN=C1 4043566 [0,1,0,0,1,0|2,0,0]=4 42 B7R1.2 NC1=CC(O)=NO1 4085320 [0,1,0,0,1,0|2,0,0]=4 43 B7R1.4 CC1=CNN=C1O 4043114 [0,1,0,0,1,0|2,0,0]=4 44 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.1 C#CC1=CC=C(C)N=C1 4035058 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.1 C#CC1=CN=C(N)C=C1 4042859 [0,2,0,0,0,0|2,0,0]=4 47 B9R1.1 CC1=CN=C(CO)C=N1 4037601 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.1 CCC1=CN=C(O)N=C1 4044733 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.1 COC1=NN=C(Br)C=C1 4040879 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [0,2,0,0,0,0|1,1,0]=4 53 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [0,2,0,0,0,0|1,0,1]=4 54 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.2 C#CC1=CC=CC(C)=N1 4036372 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [0,2,0,0,0,0|0,0,0]=2 57 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.2 CC1=NC(CO)=CC=N1 4044516 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [0,2,0,0,0,0|1,1,0]=4 70 B9R1.2 ClCC1=NC(Cl)=CC=C1 4036655 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.2 N#CC1=CC(Br)=NC=C1 4029187 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.2 N#CC1=CC(Cl)=NC=C1 4108299 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.2 NC1=CC(CO)=CC=N1 4027705 [0,2,0,0,0,0|1,0,0]=3 74 B9R1.2 NCC1=CC(Cl)=NC=C1 4033586 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.2 NCC1=CC(O)=NC=N1 4034681 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.2 NNC1=NC(Br)=CC=C1 4043654 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.2 NNC1=NC(Br)=CC=C1 4088733 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,2,0,0,0,0|1,1,0]=4 82 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,2,0,0,0,0|0,0,0]=2 83 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.6 OB(O)C1=CC=NC=C1 3200984 [0,2,0,0,0,0|1,0,0]=3 85 B9R1.8 BrCCC1=CC=CN=C1 4054467 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.8 BrCCC1=NC=CC=C1 4028495 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.8 BrCCC1=NC=CC=C1 4090022 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.8 CNCC1=CC=CC=N1 4004537 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.8 NCCC1=CC=CN=C1 4005651 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.15 CC1=C(CCl)C=CN=C1 4108233 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.15 CC1=C(NN)C=CN=C1 4014009 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.15 CC1=NC=CC=C1CCl 4048084 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.15 CC1=NC=CN=C1CO 4036444 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [0,2,0,0,0,0|1,0,0]=3 99 B9R1.15 CSC1=CC=CN=C1Br 4074696 [0,2,0,0,0,0|1,1,0]=4 100 B9R1.15 N#CC1=C(Br)C=NC=C1 4029542 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.15 N#CC1=C(Br)N=CC=C1 4030942 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.15 NCC1=CC=CC=C1Br 4108297 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.15 NCC1=CC=CN=C1N 4037637 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.15 NCC1=NC=CC=C1Cl 4038421 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.15 O=C1NC=CC=C1CO 4021172 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [0,2,0,0,0,0|1,0,1]=4 107 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 4108304 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.69 CC1=C(C)N=C(Br)C=C1 4036062 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.69 CC1=C(C)N=C(Cl)C=C1 4031009 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.69 CC1=C(C)N=CC(O)=C1 4042425 [0,2,0,0,0,0|1,0,0]=3 111 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [0,2,0,0,0,0|1,0,1]=4 112 B9R1.69 CC1=C(O)N=C(N)N=C1 4026647 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.69 CC1=CN=C(O)C=C1C 4051285 [0,2,0,0,0,0|1,0,0]=3 116 B9R1.69 CC1=CN=C(O)N=C1C 4038318 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.69 CC1=NC(Cl)=CC=C1Cl 4050886 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.69 CC1=NC(N)=CC=C1I 4029456 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.69 CC1=NC=C(Cl)C(O)=N1 4047922 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.69 NC1=CC(Br)=CN=C1Cl 4108308 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.69 NC1=CC=C(Br)C(N)=N1 4029327 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.3 CC1=C(C)C(Br)=CC=N1 4015720 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.3 CC1=C(C)C(N)=CC=N1 4015718 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.3 CC1=C(C)C(O)=NC=N1 4039591 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.3 CC1=C(F)C(Br)=CC=C1 4108313 [0,2,0,0,0,0|1,0,0]=3 127 B9R1.3 CC1=CC=CC(N)=C1O 4027492 [0,2,0,0,0,0|0,0,0]=2 128 B9R1.3 CC1=CC=CC(N)=C1O 4090457 [0,2,0,0,0,0|0,0,0]=2 129 B9R1.3 CC1=CC=NC(N)=C1N 4029896 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.3 NC1=C(Br)C=CN=C1Cl 4103939 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.3 NC1=C(N)C(Br)=CC=C1 4067086 [0,2,0,0,0,0|1,0,0]=3 132 B9R1.3 NC1=CN=CC(Br)=C1N 6122598 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.3 OC1=C(Cl)C=CC=C1Br 4083176 [0,2,0,0,0,0|0,0,0]=2 134 B9R1.3 OC1=CC=NC(O)=C1Br 4031879 [0,2,0,0,0,0|1,0,0]=3 135 B9R1.34 CC1=CC(Br)=CC(C)=N1 4015719 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.34 CC1=CC(Br)=NC(C)=C1 4036526 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.34 CC1=NC(O)=CC(Br)=N1 4040158 [0,2,0,0,0,0|2,0,0]=4 138 B5R1.1 C1=CSN=C1 4036435 [1,0,0,0,1,0|2,0,0]=4