0 B8R1.4 CC1=CC(O)=NN=C1 4108288 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 CC1=CC=NC(O)=N1 4040424 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 CC1=CC=NC(O)=N1 4089730 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 CC1=NC(Cl)=CC=N1 4015462 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 CC1=NC=NC(N)=C1 9072006 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 OC1=NC(Cl)=CN=C1 4042614 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 NC1=NN=CC=C1 4030375 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.2 C#CC1=CC=CC(C)=N1 4036372 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.2 CC1=NC(CO)=CC=N1 4044516 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.2 ClCC1=NC(Cl)=CC=C1 4036655 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.2 N#CC1=CC(Br)=NC=C1 4029187 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.2 N#CC1=CC(Cl)=NC=C1 4108299 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.2 NC1=CC(CO)=CC=N1 4027705 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.2 NCC1=CC(Cl)=NC=C1 4033586 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.2 NCC1=CC(O)=NC=N1 4034681 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 NNC1=NC(Br)=CC=C1 4043654 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.2 NNC1=NC(Br)=CC=C1 4088733 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.3 CC1=C(C)C(Br)=CC=N1 4015720 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.3 CC1=C(C)C(N)=CC=N1 4015718 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.3 CC1=C(C)C(O)=NC=N1 4039591 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.3 CC1=C(F)C(Br)=CC=C1 4108313 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.3 CC1=CC=CC(N)=C1O 4027492 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.3 CC1=CC=CC(N)=C1O 4090457 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.3 CC1=CC=NC(N)=C1N 4029896 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.3 NC1=C(Br)C=CN=C1Cl 4103939 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.3 NC1=C(N)C(Br)=CC=C1 4067086 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.3 NC1=CN=CC(Br)=C1N 6122598 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.3 OC1=C(Cl)C=CC=C1Br 4083176 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.3 OC1=CC=NC(O)=C1Br 4031879 [0,1,0,0,0,0|1,0,0]=2 49 B9R1.34 CC1=CC(Br)=CC(C)=N1 4015719 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.34 CC1=CC(Br)=NC(C)=C1 4036526 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.34 CC1=NC(O)=CC(Br)=N1 4040158 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 4108304 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 CC1=C(C)N=C(Br)C=C1 4036062 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.69 CC1=C(C)N=C(Cl)C=C1 4031009 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.69 CC1=C(C)N=CC(O)=C1 4042425 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.69 CC1=C(O)N=C(N)N=C1 4026647 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.69 CC1=CN=C(O)C=C1C 4051285 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.69 CC1=CN=C(O)N=C1C 4038318 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.69 CC1=NC(Cl)=CC=C1Cl 4050886 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.69 CC1=NC(N)=CC=C1I 4029456 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.69 CC1=NC=C(Cl)C(O)=N1 4047922 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.69 NC1=CC(Br)=CN=C1Cl 4108308 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.69 NC1=CC=C(Br)C(N)=N1 4029327 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.2 NC1=CC(O)=NO1 4085320 [0,0,0,0,1,0|3,0,0]=4 69 B7R1.4 CC1=CNN=C1O 4043114 [0,0,0,0,1,0|3,0,0]=4 70 B8R1.2 BrCC1=CN=CC=C1 4034752 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.2 NNC1=CC=CN=C1 4019584 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.2 NNC1=CC=NC=C1 4100548 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.3 CC1=CN=C(O)N=C1 4044366 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.3 NC1=CC=C(I)C=N1 3001813 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.3 OC1=CC=C(O)N=C1 4030644 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.3 OC1=NN=C(Br)C=C1 4035405 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.5 CC1=C(O)N=CN=C1 4043028 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.5 NC1=CC=CN=C1O 4034758 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.2 CC1=C(Cl)C=CC=C1NN 4006262 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.10 COCC1=CC(O)=NC=N1 4038620 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.30 N#CC1=CC(N)=CC=C1Br 4030306 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.113 CC(O)C1=NC(Br)=CC=C1 4032641 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.113 CC1=CC(B(O)O)=CC=C1 4200594 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [0,2,0,0,0,0|1,0,1]=4 110 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [0,2,0,0,0,0|0,1,1]=4 111 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [0,2,0,0,0,0|1,1,0]=4 112 B10R1.172 N#CC1=CC(CN)=CC=C1 4044429 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.172 NCC1=CC=CC(CO)=C1 4035214 [0,2,0,0,0,0|1,0,0]=3 114 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.176 N#CC1=CC=C(O)C(N)=C1 4030547 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [0,2,0,0,0,0|1,0,1]=4 122 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4030835 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4087918 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.22 CC1=CC(N)=C(N)C(C)=C1 4031189 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.22 CC1=CC(N)=CC(C)=C1O 4035123 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.22 NC1=C(N)C(Cl)=CC(Cl)=C1 5366312 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl 4028034 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.119 CC1=C(O)C(Br)=CC=C1F 4061539 [0,2,0,0,0,0|1,0,0]=3 130 B10R1.119 CC1=C(O)C=CC(Br)=C1C 4085475 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.119 CC1=C(O)C=CC(Br)=C1F 4051121 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.119 CC1=CC=C(N)C(O)=C1C 4033632 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.119 NC1=CC=C(Br)C(Cl)=C1Cl 4031844 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.119 OC1=C(Cl)C(Cl)=C(Br)C=C1 4078114 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.245 CSC1=C(O)C=CC=C1C 4031718 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [0,2,0,0,0,0|1,0,0]=3 138 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [0,2,0,0,0,0|0,0,0]=2 139 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 4030316 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 4043707 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.118 CC1=C(F)C=C(N)C(N)=C1 4086897 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.118 CC1=C(O)C=C(F)C(Br)=C1 4064018 [0,2,0,0,0,0|1,0,0]=3 143 B10R1.118 CC1=CC(=O)C(O)=CN1C 4045527 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,0,1,1,0,0|2,0,0]=4 145 B6R1.2 OC1=CNN=C1 4037184 [1,0,0,0,1,0|2,0,0]=4