0 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.12 CCC(NC)C1=NC=CC=C1 4025878 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.16 COCC(N)C1=NC=CC=C1 4025883 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 5348174 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 4031601 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.22 CNC(=O)C1=NN=C(Br)C=C1 4040855 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.23 CCC(N)C1=NC(C)=CC=C1 4033878 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.23 CCC(N)C1=NC=CC(C)=C1 4032948 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 5651817 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.23 CNC(=O)C1=CC(Cl)=NC=C1 4027632 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 4045612 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.23 COC(=O)C1=CC(N)=NC=C1 4015127 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 4028395 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 4066002 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 3002796 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 4026591 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4026592 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4025879 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4088647 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 4030196 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.222 CCC(N)C1=NC=CC=C1C 4026905 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.222 CNC(=O)C1=CC=CC=C1Br 5357048 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.222 CNC(=O)C1=CC=CN=C1Cl 9071187 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.222 COC(=O)C1=CN=CN=C1O 4044390 [0,1,0,0,0,0|3,0,0]=4 72 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,0,1,0,0|3,0,0]=4 73 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [0,0,0,1,0,0|3,0,0]=4 74 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,0,1,0,0|2,0,1]=4 75 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [0,0,0,1,0,0|1,0,0]=2 76 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [0,0,0,1,0,0|2,0,0]=3 77 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [0,0,0,1,0,0|1,0,1]=3 78 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [0,0,0,1,0,0|1,0,1]=3 79 B9R1.11 CCC(N)C1=CC=CS1 4089935 [0,0,0,0,1,0|2,0,1]=4 80 B9R1.11 CCC(N)C1=CC=CS1 4101664 [0,0,0,0,1,0|2,0,1]=4 81 B9R1.11 COC(=O)C1=NNC=C1 4027720 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,0,0,0,0,1|2,0,0]=3 83 B11R1.40 NNC(=O)CC1=CC=NC=C1 4036772 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.40 NNC(=O)CC1=NC=CC=C1 4036750 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,0,0,0,0,1|1,0,0]=2 86 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,0,0,0,0,1|1,0,0]=2 87 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [1,1,0,0,0,0|1,1,0]=4 97 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [1,1,0,0,0,0|1,1,0]=4 101 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.4 CCOC1=CC=CN=C1N 4027510 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.17 CCNCC1=NC=CC=C1 9070750 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.17 CNCCC1=CC=NC=C1 4004718 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.17 CNCCC1=CC=NC=C1 4087817 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.17 ICCOC1=CC=CC=C1 5101649 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.17 NCCCC1=CC=CN=C1 4003523 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.17 NCCCC1=CC=NC=C1 4003521 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.17 NCCCC1=NC=CC=C1 4004571 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.17 NCCNC1=CC=CN=C1 4019594 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.17 NCCSC1=CC=CC=C1 4087772 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.17 NCCSC1=NC=CC=C1 4004872 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,1,0,0,0,0|0,0,1]=3 131 B10R1.17 OCCNC1=CC=CC=N1 5107563 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.14 CCC(=O)C1=CC=C(Br)S1 4303054 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [0,1,0,0,1,0|1,0,0]=3 136 B10R1.14 CNC(=O)C1=CC=C(Br)O1 7344619 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.14 CNC(=O)C1=CC=C(Br)S1 9071495 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.23 CC(C)C(=O)C1=CC=CS1 4303051 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.149 CCC(=O)C1=CC=NN1C 4025891 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.149 CNC(=O)C1=C(N)C=CS1 4035467 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [0,1,0,0,0,1|0,0,0]=2 142 B12R1.32 O=C(CCCl)NC1=CN=CC=C1 4088168 [0,1,0,0,0,1|1,0,0]=3 143 B12R1.32 O=C(CCCl)NC1=CN=CC=C1 5522444 [0,1,0,0,0,1|1,0,0]=3 144 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 4023682 [0,1,0,0,0,1|1,0,0]=3 145 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4034385 [0,1,0,0,0,1|1,0,0]=3 146 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 3002604 [0,1,0,0,0,1|2,0,0]=4 147 B12R1.43 CC(Br)C(=O)NC1=CC=CC=N1 9070786 [0,1,0,0,0,1|1,0,0]=3 148 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 4028874 [0,1,0,0,0,1|0,0,0]=2 149 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,0,1|1,0,1]=4 150 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 4023670 [0,1,0,0,0,1|1,0,0]=3 151 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 3015627 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.49 CC1=CC=C(NC(=O)CCl)N=C1 7248980 [0,1,0,0,0,1|2,0,0]=4 153 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,1,0,0,0,1|1,0,1]=4 154 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,1,0,0,0,1|1,0,1]=4 155 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [0,1,0,0,0,1|1,0,0]=3 156 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 3014953 [0,1,0,0,0,1|2,0,0]=4 158 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 3014952 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 4023666 [0,1,0,0,0,1|1,0,0]=3 162 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=N1 9071591 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=N1 4090353 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=N1 6237587 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 4023662 [0,1,0,0,0,1|1,0,0]=3 166 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 3015628 [0,1,0,0,0,1|1,0,0]=3 167 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 4032584 [0,1,0,0,0,1|1,0,0]=3 168 B12R1.50 COC(=O)CC1=CC=CC(Br)=N1 4046328 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4033474 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4090278 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.50 COC(=O)NC1=CC=CC(N)=C1 4033700 [0,1,0,0,0,1|1,0,0]=3 172 B12R1.50 COC(=O)NC1=CC=CC(N)=C1 4091194 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.118 CCC(CN)CC1=CC=CC=C1 4033135 [0,1,0,0,0,1|1,0,1]=4 174 B12R1.118 CCC(CN)CC1=CC=CC=C1 4110768 [0,1,0,0,0,1|1,0,1]=4 175 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 3015629 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.371 CC1=CC=CC=C1NC(=O)CN 4090846 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.371 CC1=CC=CC=C1NC(=O)CN 5668895 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.371 CCC(=O)NC1=C(Br)C=CC=C1 5618445 [0,1,0,0,0,1|0,0,0]=2 179 B12R1.371 CCC(C)OC1=C(N)C=CC=C1 4028507 [0,1,0,0,0,1|1,0,1]=4 180 B12R1.371 CNC(=O)CC1=CC=CC=C1N 4032938 [0,1,0,0,0,1|1,0,0]=3 181 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4028930 [0,1,0,0,0,1|1,0,0]=3 182 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 4045134 [0,1,0,0,0,1|2,0,0]=4 183 B12R1.371 O=C(CCl)NC1=CC=CC=C1F 3005112 [0,1,0,0,0,1|1,0,0]=3 184 B12R1.10 CNS(=O)(=O)C1=CC(N)=CC=C1 4090630 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.10 CNS(=O)(=O)C1=CC(N)=CC=C1 5988570 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.195 CNS(=O)(=O)C1=C(N)C=CC=C1 4032767 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 4024352 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.16 CCCC(O)C1=CC=C(Br)C=C1 5101703 [0,2,0,0,0,0|0,0,2]=4 189 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 5353450 [0,2,0,0,0,0|0,0,0]=2 190 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 7114772 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.16 CCNC(=O)C1=CN=C(Cl)C=C1 4028359 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.17 CCNC(=O)C1=CC(Cl)=NC=C1 4026819 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.17 CCNC(=O)C1=CC=CC(Br)=C1 5664757 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.17 CCNC(=O)C1=CC=CC(N)=C1 4028364 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 3002136 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.30 CCCCC(=O)C1=CC=CN=C1 4026601 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.30 CCCNC(C)C1=CC=CC=C1 4088824 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.30 CCCNC(C)C1=CC=CC=C1 6594188 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.30 NCCNC(=O)C1=CC=CN=C1 6762334 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 4026598 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 5348641 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4027146 [0,2,0,0,0,0|0,0,0]=2 204 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.5 CCN(C)C1=CC=C(C=O)C=C1 4028755 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 4033046 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4034036 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.5 CNC(=O)C1=CC=C(CO)C=C1 4032667 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 4033286 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)N=C1 9071419 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.20 CN(C)C(=O)C1=CC=C(O)C=C1 5649432 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.367 CC1=CC=C(C(=O)CCl)C=C1C 4032725 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.367 CC1=CC=C(C(=O)NN)C=C1C 3014932 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4028100 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.367 CNC(=O)C1=CC(N)=C(C)C=C1 4027660 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.367 CNC(=O)C1=CC(N)=C(Cl)C=C1 4027253 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.367 CNC(=O)C1=CC(N)=C(F)C=C1 4034187 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4040035 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4090013 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C 4303057 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4019831 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4088582 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.1703 CC[C@@H](N)C1=CC=C(C)C=C1C 4103962 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.1703 CC[C@H](N)C1=CC=C(C)C=C1C 4092139 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 4028447 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4029362 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.24 CC1=C(C)C(C(=O)NN)=CC=C1 4034615 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.24 CC1=C(O)C(C(=O)NN)=CC=C1 3005337 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 4027902 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.24 CNC(=O)C1=C(N)C(C)=CC=C1 4034650 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.225 CN(C)C(=O)C1=CC(Br)=CN=C1 4045324 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.225 CN(C)C(=O)C1=CC=CC(Br)=C1 5663685 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.225 CN(C)C(=O)C1=CC=CC(N)=C1 5759313 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.225 CN(C)C(=O)C1=NC(Cl)=CC=C1 4038650 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.354 CC1=CC=C(C)C(C(=O)CCl)=C1 4033225 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C 4303056 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.354 CNC(=O)C1=C(Cl)C=CC(N)=C1 4028426 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 4041186 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.354 CNC(=O)C1=C(N)C=CC(Cl)=C1 4034247 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.354 CNC(=O)C1=CC(Br)=CC=C1Cl 7782157 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 9070975 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.354 NNC(=O)C1=CC(Br)=CC=C1O 3003425 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.354 NNC(=O)C1=CC(Cl)=CC=C1O 3015013 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O 3014992 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.358 CC1=CC(C)=CC(C(=O)NN)=C1 3014933 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 3005426 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 4087924 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.435 COC(=O)C1=CC=CC(C=O)=N1 4027144 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 4045138 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.435 N#CC1=CC(C(=O)NN)=CC=C1 4033720 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br 5346231 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N 5745660 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O 5218683 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl 9070951 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.2 CN1C=CC=C(C=O)C1=O 4003630 [0,0,1,1,0,0|2,0,0]=4 264 B10R1.27 CCC(=O)CC1=CC=CO1 4027298 [0,0,1,1,0,0|1,0,1]=4 265 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 3001658 [0,0,0,1,0,1|2,0,0]=4 266 B12R2.18 CN1C2=CC=CC=C2N=C1S 4009541 [0,0,0,1,0,1|1,1,0]=4 267 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,0,0,1,0,1|1,0,0]=3 268 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4028420 [0,0,0,1,0,1|1,0,1]=4 269 B12R2.32 CCC1=NC2=CC=CC=C2N1 3001661 [0,0,0,1,0,1|1,0,0]=3 270 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 4016924 [0,0,0,1,0,1|1,1,0]=4 271 B12R2.32 NCC1=CC2=CC=CC=C2N1 4085479 [0,0,0,1,0,1|2,0,0]=4 272 B12R2.32 NCC1=CC2=CC=CC=C2N1 4087983 [0,0,0,1,0,1|2,0,0]=4 273 B12R2.32 NCC1=CC2=CC=CC=C2N1 4110841 [0,0,0,1,0,1|2,0,0]=4 274 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [0,0,0,1,0,1|1,0,1]=4 275 B12R2.32 NCC1=CC2=CC=CC=C2S1 4100819 [0,0,0,1,0,1|1,1,0]=4 276 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4100108 [0,0,0,1,0,1|2,0,0]=4 277 B12R2.32 NCC1=NC2=CC=CC=C2O1 4101049 [0,0,0,1,0,1|1,0,1]=4 278 B12R2.32 NCC1=NC2=CC=CC=C2S1 4100807 [0,0,0,1,0,1|1,1,0]=4 279 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 4009529 [0,0,0,1,0,1|2,0,0]=4 280 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 4088317 [0,0,0,1,0,1|2,0,0]=4 281 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4033380 [0,0,0,1,0,1|1,0,1]=4 282 B12R2.48 NCC1(C2=CC=CC=C2)CC1 4108272 [0,1,0,1,0,0|1,0,1]=4 283 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [0,1,0,1,0,0|0,0,0]=2 284 B12R2.1081 OC1CNCC2=CC=CC=C21 4020540 [0,1,0,1,0,0|0,0,2]=4 285 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 4026950 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [0,1,0,1,0,0|2,0,0]=4 287 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 4026593 [0,1,0,1,0,0|1,0,0]=3 288 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 4032797 [0,1,0,1,0,0|1,0,1]=4 290 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 4019058 [0,1,0,1,0,0|1,0,1]=4 292 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 4045631 [0,1,0,1,0,0|1,0,0]=3 293 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 4046843 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.132 O=C1NCC2=CC=C(F)C=C12 4036568 [0,1,0,1,0,0|1,0,0]=3 295 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 4033020 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 4032388 [0,1,0,1,0,0|1,0,1]=4 297 B12R2.88 CC1=CC=CC=C1C2(N)CC2 4033102 [0,1,0,1,0,0|1,0,1]=4 298 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 4032951 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.7 CC(=O)C1=NC=CN1 4040695 [1,0,0,0,1,0|2,0,0]=4 300 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [0,0,0,0,0,2|2,0,0]=4 301 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [0,0,0,0,0,2|2,0,0]=4 302 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 4023673 [0,0,0,0,0,2|1,0,0]=3