0 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1=NC=NC=C1 4102726 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 NCCC1=NC=CN=C1 4003591 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCC1=NC=CN=C1 4091207 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.20 CN(C)CC1=CC=C(Cl)N=C1 5402629 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 4026591 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4026592 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4025879 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4088647 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.40 CNC(C)CC1=NC=CN=C1 4016114 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.40 NNC(=O)CC1=CC=NC=C1 4036772 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.40 NNC(=O)CC1=NC=CC=C1 4036750 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.86 CC(C)SC1=CC=CC=C1N 9071574 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4108227 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,0,0,0,0|1,0,1]=3 50 B11R2.10 CC1=NC2=CC=CN=C2N1 4031661 [0,0,0,1,0,0|2,0,1]=4 51 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,0,0,0,1,0|2,0,1]=4 56 B9R1.13 CC(C)CC1=NC=CN1 4039941 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.13 CC(N)CN1C=CC=N1 4004436 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.13 CC(N)CN1C=NC=N1 4001638 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.91 CC(C)NCC1=CC=CN=C1 4088009 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.91 CC(C)NCC1=CC=CN=C1 5402672 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,0,1|1,0,1]=3 62 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,0,0,0,0,1|1,0,1]=3 63 B11R1.91 N=C(N)NCC1=CC=CN=C1 4015988 [0,0,0,0,0,1|2,0,1]=4 64 B11R1.91 N=C(N)NCC1=CC=CN=C1 4088063 [0,0,0,0,0,1|2,0,1]=4 65 B11R1.91 N=C(N)NCC1=CC=NC=C1 4015990 [0,0,0,0,0,1|2,0,1]=4 66 B11R1.91 N=C(N)NCC1=CC=NC=C1 4089065 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NNC1=CC=CN=C1 4019584 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 NNC1=CC=NC=C1 4100548 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 CNCC1=CC=C(Cl)N=C1 4035407 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.1 CSCC1=CC=C(Cl)N=C1 4039957 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.4 CC1=CC=CN=C1CCO 4040975 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.4 CCOC1=CC=CN=C1N 4027510 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.4 CNCC1=C(C)C=NC=C1 4010336 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.4 CNCC1=C(C)C=NC=C1 4089764 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.4 CNCC1=CC=CN=C1Cl 4019511 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.4 CNCC1=CC=CN=C1Cl 4090749 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.4 CNCC1=NC=CC=C1C 4003220 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.10 NCCC1=CC(O)=NC=N1 4034682 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 CCNCC1=NC=CC=C1 9070750 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.17 CNCCC1=CC=NC=C1 4004718 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.17 CNCCC1=CC=NC=C1 4087817 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.17 ICCOC1=CC=CC=C1 5101649 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.17 N#CCCC1=NC=CC=C1 4027495 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.17 NCCCC1=CC=CN=C1 4003523 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.17 NCCCC1=CC=NC=C1 4003521 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.17 NCCCC1=NC=CC=C1 4004571 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.17 NCCNC1=CC=CN=C1 4019594 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.17 NCCSC1=CC=CC=C1 4087772 [1,1,0,0,0,0|0,0,0]=2 127 B10R1.17 NCCSC1=NC=CC=C1 4004872 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,1,0,0,0,0|0,0,1]=3 129 B10R1.17 OCCNC1=CC=CC=N1 5107563 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [0,1,0,0,1,0|0,0,0]=2 131 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [0,1,0,0,1,0|0,0,0]=2 132 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [0,1,0,0,1,0|1,0,0]=3 133 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [0,1,0,0,1,0|1,0,1]=4 134 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [0,1,0,0,1,0|1,0,1]=4 135 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [0,1,0,0,1,0|0,0,0]=2 136 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [0,1,0,0,1,0|0,0,0]=2 137 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,1,0,0,1,0|1,0,1]=4 138 B10R1.61 CC1=CC=CN=C1C(C)N 4027822 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [0,1,0,0,1,0|0,0,0]=2 141 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [0,1,0,0,1,0|0,0,0]=2 142 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [0,1,0,0,1,0|1,0,1]=4 143 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.113 CC(C)C1=CC=CC(Br)=N1 4037569 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.113 CC(O)C1=NC(Br)=CC=C1 4032641 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.113 CC1=CC(C(C)N)=NC=C1 4033261 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [0,1,0,0,1,0|1,0,0]=3 149 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [0,1,0,0,1,0|0,0,0]=2 150 B10R1.27 CCC(N)CN1C=CN=C1 4011409 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.27 CCC(N)CN1C=CN=C1 4088794 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4023586 [0,1,0,0,0,1|1,0,1]=4 153 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4089199 [0,1,0,0,0,1|1,0,1]=4 154 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4017585 [0,1,0,0,0,1|1,0,0]=3 155 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 4022320 [0,1,0,0,0,1|1,0,0]=3 156 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4022326 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4089158 [0,1,0,0,0,1|1,0,0]=3 158 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 4089696 [0,1,0,0,0,1|1,0,0]=3 159 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 5402692 [0,1,0,0,0,1|1,0,0]=3 160 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [0,1,0,0,0,1|1,0,0]=3 161 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 4027657 [0,1,0,0,0,1|0,0,0]=2 162 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4013688 [0,1,0,0,0,1|1,0,1]=4 163 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4090822 [0,1,0,0,0,1|1,0,1]=4 164 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,1,0,0,0,1|1,0,1]=4 165 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,1,0,0,0,1|1,0,1]=4 166 B12R1.27 CCC(C)NCC1=CC=CN=C1 4090038 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.27 CCC(C)NCC1=CC=CN=C1 9071485 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.27 CCC(C)NCC1=CC=NC=C1 4089267 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.27 CCC(C)NCC1=CC=NC=C1 9071023 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.27 CCC(C)NCC1=NC=CC=C1 4088188 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.27 CCC(C)NCC1=NC=CC=C1 9070682 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [0,1,0,0,0,1|1,0,1]=4 173 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [0,1,0,0,0,1|1,0,1]=4 174 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 4023673 [0,1,0,0,0,1|1,0,1]=4 175 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 4028874 [0,1,0,0,0,1|1,0,1]=4 176 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4015994 [0,1,0,0,0,1|1,0,1]=4 177 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4090580 [0,1,0,0,0,1|1,0,1]=4 178 B12R1.43 CN(CC1=CC=CC=C1)C(N)=S 4009975 [0,1,0,0,0,1|1,0,1]=4 179 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 4026598 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 4026599 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,1,0,0,0,1|1,0,1]=4 183 B12R1.125 C=C(C)COC1=CC=CC=C1N 4023577 [0,1,0,0,0,1|1,0,1]=4 184 B12R1.125 C=C(C)COC1=CC=CC=C1N 4089397 [0,1,0,0,0,1|1,0,1]=4 185 B12R1.125 CC(C)COC1=C(N)C=CC=C1 4017584 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.125 CC(C)COC1=CC=CC=C1O 7365290 [0,1,0,0,0,1|1,0,0]=3 187 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4024824 [0,1,0,0,0,1|1,0,0]=3 188 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4024825 [0,1,0,0,0,1|1,0,0]=3 189 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 4091077 [0,1,0,0,0,1|1,0,0]=3 190 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4017385 [0,1,0,0,0,1|1,0,0]=3 191 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 4090531 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.125 CC1=C(OCC(C)N)C=CC=C1 4026980 [0,1,0,0,0,1|0,0,0]=2 193 B12R1.125 CC1=CC=CN=C1CNC(C)C 4010342 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.125 NC(=O)COC1=C(O)C=CC=C1 5144033 [0,1,0,0,0,1|1,0,1]=4 195 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4023581 [0,1,0,0,0,1|1,0,1]=4 196 B12R1.226 CC(=O)NCC1=CC(Br)=CC=C1 9070602 [0,1,0,0,0,1|1,0,1]=4 197 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4017386 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 4088712 [0,1,0,0,0,1|1,0,0]=3 199 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 4014683 [0,1,0,0,0,1|1,0,1]=4 200 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4013689 [0,1,0,0,0,1|1,0,1]=4 201 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4089232 [0,1,0,0,0,1|1,0,1]=4 202 B12R1.226 NC(=O)COC1=CC=CC(Br)=C1 9071988 [0,1,0,0,0,1|1,0,1]=4 203 B12R1.891 CC(C)(C)NCC1=CC=CN=C1 5402675 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.891 CC(C)(C)NCC1=CC=NC=C1 4090542 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.891 CC(C)(C)NCC1=CC=NC=C1 9071212 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 4091190 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 9071969 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 4040454 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 3002150 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4014715 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 3014953 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 3014952 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 4035478 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 4026782 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 4027273 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4034385 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 3002604 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 4032584 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4033474 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4090278 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.118 CCC(CN)CC1=CC=CC=C1 4033135 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.118 CCC(CN)CC1=CC=CC=C1 4110768 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.371 CCC(C)OC1=C(N)C=CC=C1 4028507 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.371 CNC(=O)CC1=CC=CC=C1N 4032938 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 4045134 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.75 CC(C)OC1=CC=CC=C1C=O 3002726 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.75 CC(C)OC1=CC=CC=C1CO 9070892 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 4014713 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.75 COC1=CC=CC=C1CC(=N)N 4012625 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.75 COC1=CC=CC=C1CC(=N)N 4090071 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.1009 CC(C)OC1=C(N)C=CC=C1Cl 4027100 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 4027994 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 4302400 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.438 CN(C)CC1=CC(C=O)=CC=C1 4014711 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 4014714 [0,2,0,0,0,0|2,0,0]=4 243 B12R2.22 NC1CC(C2=CC=NC=C2)C1 4108210 [0,0,0,1,0,1|1,0,0]=3 244 B12R2.22 NC1CC(C2=CN=CC=C2)C1 4108204 [0,0,0,1,0,1|1,0,0]=3 245 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,1,0,1|1,0,1]=4 246 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,1,0,1|1,0,1]=4 247 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4028420 [0,0,0,1,0,1|0,0,0]=2 248 B12R2.24 NC1COC2=CC=CC=C2C1 4018509 [0,0,0,1,0,1|0,0,0]=2 249 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 4027137 [0,0,0,1,0,1|2,0,0]=4 250 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 4089122 [0,0,0,1,0,1|2,0,0]=4 251 B12R2.2057 C1=CC=C(CNC2CC2)N=C1 4027378 [0,0,0,1,0,1|2,0,0]=4 252 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 4027359 [0,0,0,1,0,1|2,0,0]=4 253 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 4002249 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 5940864 [0,1,0,1,0,0|1,0,1]=4 255 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4018330 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4021865 [0,1,0,1,0,0|1,0,1]=4 257 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 4004197 [0,1,0,1,0,0|1,0,1]=4 258 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 3001658 [0,1,0,1,0,0|1,0,1]=4 259 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,1,0,1,0,0|1,0,1]=4 260 B12R2.32 CCC1=NC2=CC=CC=C2N1 3001661 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.32 NCC1=CC2=CC=CC=C2N1 4085479 [0,1,0,1,0,0|0,0,2]=4 262 B12R2.32 NCC1=CC2=CC=CC=C2N1 4087983 [0,1,0,1,0,0|0,0,2]=4 263 B12R2.32 NCC1=CC2=CC=CC=C2N1 4110841 [0,1,0,1,0,0|0,0,2]=4 264 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4100108 [0,1,0,1,0,0|1,0,1]=4 265 B12R2.32 OCC1CC2=CC=CC=C2O1 4086574 [0,1,0,1,0,0|1,0,0]=3 266 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 4009529 [0,1,0,1,0,0|1,0,1]=4 267 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 4088317 [0,1,0,1,0,0|1,0,1]=4 268 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4033380 [0,1,0,1,0,0|0,0,0]=2 269 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4040319 [0,1,0,1,0,0|1,0,0]=3 270 B12R2.202 CC1=C2NC(=O)CC2=CC=C1 4041505 [0,1,0,1,0,0|1,0,1]=4 271 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 4041591 [0,1,0,1,0,0|1,0,1]=4 272 B12R2.202 CC1=NC2=C(C=CC=C2O)N1 4072824 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.8 CCCC1=CNN=C1 4044489 [1,0,0,0,1,0|2,0,0]=4 274 B8R1.8 CNCC1=CC=CO1 2102243 [1,0,0,0,1,0|2,0,0]=4 275 B8R1.8 CNCC1=CC=CS1 4100657 [1,0,0,0,1,0|2,0,0]=4 276 B8R1.8 CNCC1=CSC=C1 4100799 [1,0,0,0,1,0|2,0,0]=4 277 B8R1.8 NCCC1=CC=CO1 4100671 [1,0,0,0,1,0|1,0,0]=3 278 B8R1.8 NCCC1=CC=NN1 4003532 [1,0,0,0,1,0|2,0,0]=4 279 B8R1.8 NCCC1=CNN=C1 4101520 [1,0,0,0,1,0|2,0,0]=4 280 B8R1.8 NCCC1=CSC=N1 4004027 [1,0,0,0,1,0|2,0,0]=4 281 B8R1.8 NCCC1=NC=CN1 4013124 [1,0,0,0,1,0|2,0,0]=4 282 B8R1.8 NCCC1=NC=CS1 4100726 [1,0,0,0,1,0|2,0,0]=4 283 B8R1.8 NCCN1C=CC=C1 4028584 [1,0,0,0,1,0|1,0,0]=3 284 B8R1.8 NCCN1C=CC=N1 2102292 [1,0,0,0,1,0|2,0,0]=4 285 B8R1.8 NCCN1C=CC=N1 4087747 [1,0,0,0,1,0|2,0,0]=4 286 B8R1.8 NCCN1C=CN=C1 4100002 [1,0,0,0,1,0|2,0,0]=4 287 B8R1.8 NNCC1=CC=CS1 4044222 [1,0,0,0,1,0|2,0,0]=4 288 B8R1.7 CC(N)C1=CC=CS1 4100658 [0,0,0,0,2,0|1,0,0]=3 289 B8R1.7 CC(N)C1=CSC=C1 4100800 [0,0,0,0,2,0|1,0,0]=3 290 B8R1.7 CC(N)C1=NC=CN1 4040236 [0,0,0,0,2,0|2,0,0]=4 291 B8R1.7 CC(N)C1=NC=CS1 2102323 [0,0,0,0,2,0|2,0,0]=4 292 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [0,0,0,0,0,2|1,0,0]=3 293 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [0,0,0,0,0,2|1,0,0]=3 294 B12R1.252 CC(C)CNCC1=CC=CN=C1 4090219 [0,0,0,0,0,2|2,0,0]=4 295 B12R1.252 CC(C)CNCC1=CC=CN=C1 5402676 [0,0,0,0,0,2|2,0,0]=4 296 B12R1.252 CC(C)CNCC1=CC=NC=C1 4091094 [0,0,0,0,0,2|2,0,0]=4 297 B12R1.252 CC(C)CNCC1=CC=NC=C1 9070906 [0,0,0,0,0,2|2,0,0]=4 298 B12R1.252 CC(C)CNCC1=NC=CC=C1 4090205 [0,0,0,0,0,2|2,0,0]=4 299 B12R1.252 CC(C)CNCC1=NC=CC=C1 9071496 [0,0,0,0,0,2|2,0,0]=4 300 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [0,0,0,0,0,2|1,0,0]=3 301 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [0,0,0,0,0,2|1,0,0]=3 302 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,0,0,0,0,2|1,0,1]=4