0 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CNC(C)C1=NC=NC=C1 4102730 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 NCCC1=NC=CN=C1 4003591 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 NCCC1=NC=CN=C1 4091207 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 4031581 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.12 CCC(NC)C1=NC=CC=C1 4025878 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.16 CC(N=C=O)C1=CC=CC=C1 4040282 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.16 COCC(N)C1=NC=CC=C1 4025883 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.23 CCC(N)C1=NC(C)=CC=C1 4033878 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.23 CCC(N)C1=NC=CC(C)=C1 4032948 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.23 NCC(O)C1=CC=CC(=O)N1 4062727 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 3002796 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4026592 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4025879 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4088647 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.222 CCC(N)C1=NC=CC=C1C 4026905 [0,1,0,0,0,0|3,0,0]=4 64 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,0,1,0,0|1,0,1]=3 65 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [0,0,0,1,0,0|2,0,1]=4 66 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,0,1,0,0|2,0,0]=3 67 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [0,0,0,1,0,0|2,0,0]=3 69 B11R2.239 C1=CC(C2CNC2)=CC=N1 4038720 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.11 CC(CN)N1C=CC=N1 4028321 [0,0,0,0,1,0|2,0,0]=3 71 B9R1.11 CC(CO)N1C=CC=N1 4026993 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.11 CC(CO)N1C=CN=C1 4032984 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.11 CCC(N)C1=CC=CS1 4089935 [0,0,0,0,1,0|3,0,0]=4 74 B9R1.11 CCC(N)C1=CC=CS1 4101664 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.11 CNC(C)C1=CC=CS1 4088898 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.11 CNC(C)C1=CC=CS1 4100659 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,0,0,0,0,1|2,0,1]=4 79 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,0,0,0,0,1|2,0,1]=4 81 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 NNC1=CC=CN=C1 4019584 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.2 NNC1=CC=NC=C1 4100548 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 4043859 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 CC(C)C1=CNC(=O)N=C1 4044144 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.61 CC1=CC=CN=C1C(C)N 4027822 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.61 CN(C)C1=NC=CC=C1N 4036131 [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|0,0,0]=2 99 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.113 CC(C)C1=CC(N)=NC=N1 4038828 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 CC(C)C1=CC(O)=NC=N1 4039408 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|0,0,0]=2 104 B10R1.113 CC(C)C1=CC=CC(Br)=N1 4037569 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.113 CC(C)C1=CC=NC(N)=N1 4038131 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 CC(C)C1=CC=NC(O)=N1 4038178 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 CC(O)C1=NC(Br)=CC=C1 4032641 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 CC1=CC(C(C)N)=NC=C1 4033261 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,1,0,0,0,0|0,0,0]=2 112 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.4 CC1=CC=CN=C1CCO 4040975 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.10 NCCC1=CC(O)=NC=N1 4034682 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.17 CCNCC1=NC=CC=C1 9070750 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.17 CNCCC1=CC=NC=C1 4004718 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.17 CNCCC1=CC=NC=C1 4087817 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.17 ICCOC1=CC=CC=C1 5101649 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.17 N#CCCC1=NC=CC=C1 4027495 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.17 NCCCC1=CC=CN=C1 4003523 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.17 NCCCC1=CC=NC=C1 4003521 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.17 NCCCC1=NC=CC=C1 4004571 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.17 NCCNC1=CC=CN=C1 4019594 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.17 NCCSC1=CC=CC=C1 4087772 [1,1,0,0,0,0|0,0,0]=2 149 B10R1.17 NCCSC1=NC=CC=C1 4004872 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,1,0,0,0,0|0,0,1]=3 151 B10R1.17 OCCNC1=CC=CC=N1 5107563 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.11 CC(CCN)N1C=CN=C1 4035541 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.14 CC1=CSC(C(C)CN)=N1 4033584 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [0,1,0,0,0,1|1,0,1]=4 161 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 4027273 [0,1,0,0,0,1|0,0,0]=2 162 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,0,1|1,0,1]=4 163 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4015994 [0,1,0,0,0,1|1,0,1]=4 164 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4090580 [0,1,0,0,0,1|1,0,1]=4 165 B12R1.43 CN(CC1=CC=CC=C1)C(N)=S 4009975 [0,1,0,0,0,1|1,0,1]=4 166 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,1,0,0,0,1|1,0,0]=3 167 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,1,0,0,0,1|1,0,0]=3 168 B12R1.118 CCC(CN)CC1=CC=CC=C1 4033135 [0,1,0,0,0,1|0,0,0]=2 169 B12R1.118 CCC(CN)CC1=CC=CC=C1 4110768 [0,1,0,0,0,1|0,0,0]=2 170 B12R1.371 CC1=CC=CC=C1NC(=O)CN 4090846 [0,1,0,0,0,1|1,0,1]=4 171 B12R1.371 CC1=CC=CC=C1NC(=O)CN 5668895 [0,1,0,0,0,1|1,0,1]=4 172 B12R1.371 CCC(C)OC1=C(N)C=CC=C1 4028507 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4028930 [0,1,0,0,0,1|1,0,1]=4 174 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 4023843 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.3 CNC(COC)C1=NC=CC=C1 4025884 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 4024352 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.16 CCCC(O)C1=CC=C(Br)C=C1 5101703 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.30 CCCNC(C)C1=CC=CC=C1 4088824 [0,2,0,0,0,0|1,0,0]=3 180 B12R1.30 CCCNC(C)C1=CC=CC=C1 6594188 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,2,0,0,0,0|0,0,1]=3 182 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,2,0,0,0,0|0,0,1]=3 183 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.5 CCN(C)C1=CC=C(C=O)C=C1 4028755 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4019831 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4088582 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.1703 CC[C@@H](N)C1=CC=C(C)C=C1C 4103962 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.1703 CC[C@H](N)C1=CC=C(C)C=C1C 4092139 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.435 CNC(C)C1=CC(OC)=CC=C1 4004540 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.435 COC1=CC=CC(C(O)CN)=N1 4110619 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 4004539 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 4090346 [0,2,0,0,0,0|2,0,0]=4 203 B10R2.136 C1=CN(C2CNC2)N=C1 4026680 [0,0,0,1,1,0|2,0,0]=4 204 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,0,0,1,0,1|1,0,1]=4 205 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4028420 [0,0,0,1,0,1|2,0,0]=4 206 B12R2.24 NC1COC2=CC=CC=C2C1 4018509 [0,0,0,1,0,1|2,0,0]=4 207 B12R2.32 NCC1=CC2=CC=CC=C2N1 4085479 [0,0,0,1,0,1|0,0,2]=4 208 B12R2.32 NCC1=CC2=CC=CC=C2N1 4087983 [0,0,0,1,0,1|0,0,2]=4 209 B12R2.32 NCC1=CC2=CC=CC=C2N1 4110841 [0,0,0,1,0,1|0,0,2]=4 210 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [0,0,0,1,0,1|0,0,2]=4 211 B12R2.32 NCC1=CC2=CC=CC=C2S1 4100819 [0,0,0,1,0,1|0,0,2]=4 212 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4100108 [0,0,0,1,0,1|1,0,1]=4 213 B12R2.32 NCC1=NC2=CC=CC=C2O1 4101049 [0,0,0,1,0,1|1,0,1]=4 214 B12R2.32 NCC1=NC2=CC=CC=C2S1 4100807 [0,0,0,1,0,1|1,0,1]=4 215 B12R2.32 OCC1CC2=CC=CC=C2O1 4086574 [0,0,0,1,0,1|1,0,0]=3 216 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4033380 [0,0,0,1,0,1|2,0,0]=4 217 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4040319 [0,0,0,1,0,1|0,0,0]=2 218 B12R2.48 NCC1(C2=CC=CC=C2)CC1 4108272 [0,1,0,1,0,0|0,0,0]=2 219 B12R2.22 NC1CC(C2=CC=NC=C2)C1 4108210 [0,1,0,1,0,0|1,0,0]=3 220 B12R2.22 NC1CC(C2=CN=CC=C2)C1 4108204 [0,1,0,1,0,0|1,0,0]=3 221 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,1,0,1,0,0|1,0,0]=3 222 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.1081 OC1CNCC2=CC=CC=C21 4020540 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [0,1,0,1,0,0|1,0,1]=4 225 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,1,0,1,0,0|2,0,0]=4 226 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 4032797 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 4019058 [0,1,0,1,0,0|2,0,0]=4 228 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 4033020 [0,1,0,1,0,0|2,0,0]=4 229 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 4032388 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.88 CC1=CC=CC=C1C2(N)CC2 4033102 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 4032951 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.7 CC(C)C1=CNN=C1 4039228 [1,0,0,0,1,0|2,0,0]=4 233 B8R1.7 CC(N)C1=CC=CS1 4100658 [1,0,0,0,1,0|1,0,0]=3 234 B8R1.7 CC(N)C1=CSC=C1 4100800 [1,0,0,0,1,0|1,0,0]=3 235 B8R1.7 CC(N)C1=NC=CN1 4040236 [1,0,0,0,1,0|2,0,0]=4 236 B8R1.7 CC(N)C1=NC=CS1 2102323 [1,0,0,0,1,0|2,0,0]=4 237 B8R1.8 NCCC1=CC=CO1 4100671 [1,0,0,0,1,0|1,0,0]=3 238 B8R1.8 NCCC1=CC=NN1 4003532 [1,0,0,0,1,0|2,0,0]=4 239 B8R1.8 NCCC1=CNN=C1 4101520 [1,0,0,0,1,0|2,0,0]=4 240 B8R1.8 NCCC1=CSC=N1 4004027 [1,0,0,0,1,0|2,0,0]=4 241 B8R1.8 NCCC1=NC=CN1 4013124 [1,0,0,0,1,0|2,0,0]=4 242 B8R1.8 NCCC1=NC=CS1 4100726 [1,0,0,0,1,0|2,0,0]=4 243 B8R1.8 NCCN1C=CC=C1 4028584 [1,0,0,0,1,0|1,0,0]=3 244 B8R1.8 NCCN1C=CC=N1 2102292 [1,0,0,0,1,0|2,0,0]=4 245 B8R1.8 NCCN1C=CC=N1 4087747 [1,0,0,0,1,0|2,0,0]=4 246 B8R1.8 NCCN1C=CN=C1 4100002 [1,0,0,0,1,0|2,0,0]=4 247 B8R1.8 NNCC1=CC=CS1 4044222 [1,0,0,0,1,0|2,0,0]=4 248 B12R1.27 CCC(C)NCC1=CC=CN=C1 4090038 [0,0,0,0,0,2|2,0,0]=4 249 B12R1.27 CCC(C)NCC1=CC=CN=C1 9071485 [0,0,0,0,0,2|2,0,0]=4 250 B12R1.27 CCC(C)NCC1=CC=NC=C1 4089267 [0,0,0,0,0,2|2,0,0]=4 251 B12R1.27 CCC(C)NCC1=CC=NC=C1 9071023 [0,0,0,0,0,2|2,0,0]=4 252 B12R1.27 CCC(C)NCC1=NC=CC=C1 4088188 [0,0,0,0,0,2|2,0,0]=4 253 B12R1.27 CCC(C)NCC1=NC=CC=C1 9070682 [0,0,0,0,0,2|2,0,0]=4