0 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 CC1=NN=C(C(=N)N)C=C1 4045209 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.1 C#CC1=CC=C(C)N=C1 4035058 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 NC1=NC=C(C=O)C=N1 4006165 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 4025310 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 4025320 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.3 COC1=CC=C(B(O)O)C=C1 4200599 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.3 CSC1=CC=C(B(O)O)C=C1 4201812 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4019315 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 4016801 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 4043316 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.3 OCC1=CC=C(B(O)O)C=C1 4108321 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 4036589 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 4003301 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4030047 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 4035424 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 4033986 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.22 CC1=NC=C(C(=O)NN)C=N1 4042587 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 5348174 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 4031601 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.22 CNC(=O)C1=NN=C(Br)C=C1 4040855 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4033476 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4031175 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 4036059 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 4019260 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.166 CC1=NC(O)=C(C(=O)O)C=N1 4108285 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 4030825 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4028308 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4034820 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4090735 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4029249 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4030523 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4087916 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 4103619 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 4107521 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 4027619 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 4034754 [0,1,0,0,0,0|3,0,0]=4 103 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,0,0,0,1,0|1,0,0]=2 105 B9R1.35 CC(=O)C1=CN(C)N=C1 4034761 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [0,0,0,0,1,0|3,0,0]=4 114 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [0,0,0,0,1,0|3,0,0]=4 115 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,0,0,0,1,0|3,0,0]=4 116 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,0,0,0,1,0|3,0,0]=4 117 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,0,0,0,1,0|3,0,0]=4 120 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,0,0,0,1,0|3,0,0]=4 123 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [0,0,0,0,0,1|1,0,0]=2 125 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [0,0,0,0,0,1|2,0,1]=4 126 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [0,0,0,0,0,1|2,0,1]=4 127 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,0,0,0,0,1|2,0,0]=3 129 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 4032466 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|0,0,1]=3 135 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [1,1,0,0,0,0|0,0,1]=3 137 B10R1.3 CCC1=CN=C(CO)C=C1 4011741 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.3 CCC1=NC=C(C=O)C=N1 4014572 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.3 CSC1=NC=C(C=O)C=N1 4010269 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,1,0,0,0,0|0,0,0]=2 142 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,1,0,0,0,0|0,0,1]=3 143 B10R1.25 COC1=C(Br)C=C(C)N=C1 4056264 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.25 COC1=C(Br)N=C(C)C=C1 4030251 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [1,1,0,0,0,0|0,0,0]=2 146 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [1,1,0,0,0,0|1,1,0]=4 157 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [1,1,0,0,0,0|1,1,0]=4 161 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.14 CC1=CC=C(C(=O)NN)O1 4043578 [0,1,0,0,1,0|2,0,0]=4 171 B10R1.14 CCC(=O)C1=CC=C(Br)S1 4303054 [0,1,0,0,1,0|2,0,0]=4 172 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [0,1,0,0,1,0|1,0,0]=3 173 B10R1.14 CNC(=O)C1=CC=C(Br)O1 7344619 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.14 CNC(=O)C1=CC=C(Br)S1 9071495 [0,1,0,0,1,0|2,0,0]=4 175 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [0,1,0,0,1,0|1,0,0]=3 176 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [0,1,0,0,1,0|2,0,0]=4 177 B10R1.31 NCC1=CC=C(C(=O)O)O1 4141271 [0,1,0,0,1,0|2,0,0]=4 178 B10R1.31 NCC1=CC=C(C(=O)O)S1 4003254 [0,1,0,0,1,0|2,0,0]=4 179 B10R1.31 O=C(O)C1=CC=C(CO)O1 4004044 [0,1,0,0,1,0|2,0,0]=4 180 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [0,1,0,0,1,0|2,0,0]=4 181 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4028825 [0,1,0,0,1,0|2,0,0]=4 182 B10R1.59 CC(=O)C1=CN(C)N=C1C 4087767 [0,1,0,0,1,0|2,0,0]=4 183 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 3002948 [0,1,0,0,1,0|2,0,0]=4 184 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 4032427 [0,1,0,0,1,0|2,0,0]=4 185 B10R1.194 CC1=C(C(=O)O)C=CN1C 4045412 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 5301234 [0,1,0,0,0,1|1,0,0]=3 187 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4014715 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.19 CC(=O)NC1=CC(N)=C(F)C=C1 4029877 [0,1,0,0,0,1|1,0,0]=3 190 B12R1.19 CC(=O)NC1=CC=C(C)C(N)=C1 4027038 [0,1,0,0,0,1|0,0,0]=2 191 B12R1.19 CC(=O)NC1=CC=C(N)C(C)=C1 4028746 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 4030379 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 5304453 [0,1,0,0,0,1|1,0,0]=3 194 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 4023670 [0,1,0,0,0,1|0,0,0]=2 195 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 3015627 [0,1,0,0,0,1|0,0,0]=2 196 B12R1.49 CC1=CC=C(NC(=O)CCl)N=C1 7248980 [0,1,0,0,0,1|1,0,0]=3 197 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [0,1,0,0,0,1|1,0,0]=3 199 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 3014953 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 3014952 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 4023666 [0,1,0,0,0,1|1,0,0]=3 204 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=N1 9071591 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=N1 4090353 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=N1 6237587 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 4035478 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.106 CS(=O)(=O)NC1=CC=C(N)C=C1 4033052 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.233 CC(=O)NC1=C(Br)C=C(Cl)C=C1 4029939 [0,1,0,0,0,1|1,0,0]=3 210 B12R1.233 CC(=O)NC1=C(F)C=C(N)C=C1 4033744 [0,1,0,0,0,1|1,0,0]=3 211 B12R1.233 CC(=O)NC1=C(F)C=C(N)C=C1 4088229 [0,1,0,0,0,1|1,0,0]=3 212 B12R1.233 CC(=O)NC1=C(N)C=C(Cl)C=C1 4025073 [0,1,0,0,0,1|1,0,0]=3 213 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 4032446 [0,1,0,0,0,1|0,0,0]=2 214 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N 4028039 [0,1,0,0,0,1|0,0,0]=2 215 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 4033046 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4034036 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.5 CNC(=O)C1=CC=C(CO)C=C1 4032667 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 4033286 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O 4031419 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [0,2,0,0,0,0|0,0,0]=2 231 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4003840 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4090721 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.113 CCOC1=CC=C([C@@H](C)N)C=C1 4105790 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 4104871 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 4013893 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4043756 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 4027793 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.256 CC(C)C1=CC=C([C@@H](C)N)C=C1 4099628 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 4096619 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 4016049 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 4200597 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.23 CC1=C(N)C=C(S(C)(=O)=O)C=C1 4043521 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.23 CC1=CC=C(S(=O)(=O)Cl)C=C1C 3002405 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.23 CC1=CC=C(S(N)(=O)=O)C=C1N 4028971 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 4003369 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.232 CC1=C(C)N=C(Cl)C(C(N)=O)=C1 4044012 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=C1 4400285 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.232 CC1=CC(=O)C(C(=O)O)=CN1C 4050899 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 4023547 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.367 CC1=CC=C(C(=O)CCl)C=C1C 4032725 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.367 CC1=CC=C(C(=O)NN)C=C1C 3014932 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [0,2,0,0,0,0|0,0,0]=2 258 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4028100 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.367 CNC(=O)C1=CC(N)=C(C)C=C1 4027660 [0,2,0,0,0,0|0,0,0]=2 264 B12R1.367 CNC(=O)C1=CC(N)=C(Cl)C=C1 4027253 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.367 CNC(=O)C1=CC(N)=C(F)C=C1 4034187 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4040035 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4090013 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.893 CC1=CC=C(C(=O)O)C(=O)N1C 4026285 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 4045084 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.12 CC1=CC=C(C(C=O)C=O)C=C1 4034741 [0,2,0,0,0,0|0,0,2]=4 271 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 5353450 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 7114772 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.16 CCNC(=O)C1=CN=C(Cl)C=C1 4028359 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.16 O=C\C=C(\Cl)C1=CC=C(Br)C=C1 4300139 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C 4303057 [0,2,0,0,0,0|0,0,0]=2 277 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4019831 [0,2,0,0,0,0|1,0,1]=4 278 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4088582 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.1703 CC[C@@H](N)C1=CC=C(C)C=C1C 4103962 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.1703 CC[C@H](N)C1=CC=C(C)C=C1C 4092139 [0,2,0,0,0,0|1,0,1]=4 281 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 4028447 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4029362 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.1000 CC1=CC(=O)C(C(=O)O)=C(C)N1 4041457 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(=O)N1 4013458 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(Cl)=N1 4042108 [0,2,0,0,0,0|2,0,0]=4 286 B12R2.606 CC1=CC2=C(C=C1)NC(Cl)=N2 4043856 [0,0,0,1,0,1|2,0,0]=4 287 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 4007276 [0,0,0,1,0,1|2,0,0]=4 288 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4013733 [0,0,0,1,0,1|2,0,0]=4 289 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 4035547 [0,0,0,1,0,1|1,0,1]=4 290 B12R2.606 CC1=CC=C2NC(N)=NC2=C1 4036156 [0,0,0,1,0,1|2,0,0]=4 291 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 4035617 [0,0,0,1,0,1|1,0,0]=3 292 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 4002249 [0,0,0,1,0,1|2,0,0]=4 293 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 5195235 [0,0,0,1,0,1|1,0,1]=4 294 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 4034738 [0,0,0,1,0,1|2,0,0]=4 295 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 4003334 [0,0,0,1,0,1|2,0,0]=4 296 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 5940864 [0,0,0,1,0,1|2,0,0]=4 297 B12R2.606 CC1=NC2=CC=C(N)C=C2S1 4100391 [0,0,0,1,0,1|1,1,0]=4 298 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4021865 [0,0,0,1,0,1|2,0,0]=4 299 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 4031340 [0,0,0,1,0,1|2,0,0]=4 300 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 4004197 [0,0,0,1,0,1|1,0,0]=3 301 B12R2.606 O=C1NC2=CC=C(F)C=C2O1 4041178 [0,0,0,1,0,1|2,0,0]=4 302 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 4003733 [0,0,0,1,0,1|2,0,0]=4 303 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.612 CC1=CC2=C(C=C1)C(I)=NN2 4046881 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.612 CC1=NOC2=CC(O)=CC=C21 4043535 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.1 CC1=CC(C=O)=NN1 4002200 [1,0,0,0,1,0|2,0,0]=4 308 B8R1.1 CC1=CC=C(C=O)N1 4036670 [1,0,0,0,1,0|1,0,0]=3 309 B8R1.1 CC1=CNC(C=O)=N1 4301882 [1,0,0,0,1,0|2,0,0]=4 310 B8R1.1 CC1=NOC(C=O)=C1 4034847 [1,0,0,0,1,0|2,0,0]=4 311 B8R1.1 CN1C=CC(C=O)=C1 4300823 [1,0,0,0,1,0|1,0,0]=3 312 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [1,0,0,0,1,0|2,0,0]=4 313 B8R1.7 CC(=O)C1=NC=CN1 4040695 [1,0,0,0,1,0|2,0,0]=4 314 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [1,0,0,0,0,1|1,0,0]=3 315 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [1,0,0,0,0,1|1,0,0]=3 316 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [1,0,0,0,0,1|2,0,0]=4 317 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4023586 [0,0,0,0,0,2|2,0,0]=4 318 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4089199 [0,0,0,0,0,2|2,0,0]=4 319 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4035228 [0,0,0,0,0,2|2,0,0]=4 320 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [0,0,0,0,0,2|1,0,1]=4 321 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 4027657 [0,0,0,0,0,2|1,0,1]=4 322 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,0,0,0,0,2|1,0,0]=3 323 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,0,0,0,0,2|2,0,0]=4 324 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,0,0,0,0,2|2,0,0]=4 325 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [0,0,0,0,0,2|2,0,0]=4 326 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,0,0,0,0,2|2,0,0]=4 327 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [0,0,0,0,0,2|2,0,0]=4