0 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,0,0,0,0,0|1,0,3]=4 14 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,0,0,0,0,0|1,0,1]=2 19 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,0,0,0,0|1,0,2]=3 24 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,0,0|0,0,2]=2 25 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,0,0|0,0,2]=2 26 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 N=C(N)C1=NC=CC=N1 CS21214 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.6 NC(=S)C1=CC=CN=N1 CS16975 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,0,0|1,0,0]=1 51 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [0,0,0,0,0,0|2,0,1]=3 58 B9R1.6 OB(O)C1=NC=NC=C1 MC20899 [0,0,0,0,0,0|3,0,1]=4 59 B8R1.2 BrCC1=CC=CN=N1 CS15758 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 BrCC1=NC=CC=N1 MC110628 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 BrCC1=NC=CN=C1 MC115921 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 Br[Zn]c1ccccn1 MC121328 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 Br[Zn]c1ncccn1 MC116064 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 C#CC1=CC=CC=C1 CS19127 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.2 C#CC1=CC=CN=N1 MC102367 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.2 C#CC1=NC=CC=C1 CS21539 [1,0,0,0,0,0|0,0,2]=3 67 B8R1.2 C#CC1=NC=CC=N1 CS12611 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.2 C#CC1=NC=CN=C1 MC104763 [1,0,0,0,0,0|1,0,2]=4 69 B8R1.2 CCC1=CC=CC=C1 MC41556 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.2 CCC1=CC=CN=C1 CS22277 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 CCC1=NC=CN=C1 CS21534 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.2 CNC1=CC=CC=C1 CS11792 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 CNC1=CC=CN=C1 CS13856 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CNC1=CC=NC=C1 MC41620 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 COC1=CC=CC=C1 MC41309 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 COC1=CC=CN=C1 CS22348 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 COC1=CC=CN=N1 CS22347 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 COC1=CC=NC=C1 CS19206 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 COC1=NC=CC=C1 CS18780 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 COC1=NC=CN=C1 CS17887 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 CSC1=CC=CC=C1 MC439137 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 CSC1=NC=CC=C1 MC41628 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.2 ClCC1=CC=CN=N1 CS16004 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.2 ClCC1=CC=CN=N1 MC112985 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 ClCC1=NC=CC=C1 CS19289 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.2 ClCC1=NC=CC=N1 CS20902 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 ClCC1=NC=CN=C1 MC444156 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 ICC1=CC=CC=C1 CS11000 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.2 I[Zn]c1ccccc1 MC121332 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 N#CC1=CC=CC=C1 MC40623 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 N#CC1=CC=CN=N1 MC444570 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 N#CC1=NC=CC=C1 CS19642 [1,0,0,0,0,0|1,0,1]=3 93 B8R1.2 N#CC1=NC=CC=N1 CS17385 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.2 N#CC1=NC=CN=C1 CS17380 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 N#CC1=NC=NC=C1 CS12430 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 N#Cc1ccccc1 CS13696 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 NCC1=CC=CC=C1 MC40797 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.2 NCC1=CC=CN=N1 MC444234 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.2 NCC1=NC=CC=N1 CS21304 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.2 NCC1=NC=CC=N1 MC425460 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.2 NCC1=NC=CN=C1 CS19691 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.2 NCC1=NC=CN=C1 CS20245 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.2 NCC1=NC=NC=C1 MC444325 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.2 NNC1=CC=CC=C1 CS15210 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 NNC1=CC=CC=C1 MC427075 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 NNC1=NC=CC=C1 CS15589 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 NNC1=NC=CC=C1 CS21573 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.2 NNC1=NC=CC=N1 MC425172 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 NNC1=NC=CN=C1 MC444188 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 O=CC1=CC=CN=N1 MC121079 [1,0,0,0,0,0|1,0,0]=2 111 B8R1.2 O=CC1=CN=CC=C1 CS19090 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.2 O=CC1=CN=CN=C1 CS19643 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.2 O=CC1=CN=NC=C1 MC444362 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.2 O=CC1=NC=CC=C1 CS18610 [1,0,0,0,0,0|0,0,0]=1 115 B8R1.2 O=CC1=NC=CC=N1 MC444571 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.2 O=CC1=NC=CN=C1 CS18375 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.2 O=NC1=CC=CC=C1 MC33163 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 OCC1=CC=CC=C1 MC40684 [1,0,0,0,0,0|1,0,2]=4 119 B8R1.2 OCC1=CC=CN=N1 CS21870 [1,0,0,0,0,0|1,0,2]=4 120 B8R1.2 OCC1=NC=CC=C1 CS19164 [1,0,0,0,0,0|0,0,2]=3 121 B8R1.2 OCC1=NC=CC=N1 CS19924 [1,0,0,0,0,0|1,0,2]=4 122 B8R1.2 OCC1=NC=CN=C1 CS21749 [1,0,0,0,0,0|1,0,2]=4 123 B8R1.2 OCC1=NC=NC=C1 CS11915 [1,0,0,0,0,0|1,0,2]=4 124 B8R1.2 SCC1=NC=CN=C1 MC110936 [1,0,0,0,0,0|1,1,1]=4 125 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,0|0,0,0]=1 145 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,0,0|0,0,0]=1 147 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,0,0|0,0,0]=1 149 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 CS15951 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.13 CC(C)C1=NC=C(Br)C=N1 MC441127 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.13 CC(N)C1=NC=C(F)C=N1 MC104532 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [0,1,0,0,0,0|1,0,2]=4 169 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [0,1,0,0,0,0|1,0,2]=4 170 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 CC1=CN=C(C(=N)N)N=C1 MC104180 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.13 CN(C)C1=NC=C(Br)N=C1 CS17460 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.13 FC(F)C1=NC=C(Br)C=C1 MC429792 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 CS15436 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [0,1,0,0,0,0|2,1,0]=4 211 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.13 NC1=CC=C(C(F)F)N=C1 CS16709 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.13 NC1=CC=C([N+](=O)[O-])N=C1 CS10210 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.13 O=C1C=CC(C(=O)O)N=N1 CS17837 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 CS19719 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 MC105738 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 CS17285 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 CS17336 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 CS20058 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.13 OB(O)C1=NC=C(F)C=C1 MC100358 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.13 OC1=CC=C(C(F)F)N=C1 MC429310 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,1,0,0,0,0|1,0,2]=4 268 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,1,0,0,0,0|1,0,2]=4 269 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,1,0,0,0,0|1,0,0]=2 277 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,1,0,0,0,0|0,0,0]=1 282 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,1,0,0,0,0|1,0,0]=2 283 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [0,1,0,0,0,0|1,0,1]=3 290 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,1,0,0,0,0|0,0,0]=1 292 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [0,1,0,0,0,0|1,0,2]=4 293 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [0,1,0,0,0,0|1,0,2]=4 294 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [0,1,0,0,0,0|0,0,2]=3 295 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.15 NNC(=O)C1=NC=CN=C1 CS18472 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.15 NNC(=O)c1ccncc1 MC445177 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [0,1,0,0,0,0|1,0,2]=4 307 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 CS14803 [0,1,0,0,0,0|1,0,1]=3 309 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [0,1,0,0,0,0|1,0,1]=3 311 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [0,1,0,0,0,0|0,0,2]=3 312 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 MC33441 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 MC445195 [0,1,0,0,0,0|1,1,0]=3 316 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [0,1,0,0,0,0|2,1,0]=4 317 B10R1.28 FC(F)(F)C1=NC=CC=C1 CS19017 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 MC20369 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.28 O=S(=O)(F)C1=NC=CC=N1 MC429937 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CS19698 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.28 O[B-](O)(O)C1=CC=CC=N1 MC425358 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,0,0|1,0,0]=2 326 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,0,0|1,0,0]=2 327 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,0,0|1,0,0]=2 329 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,0,0|0,0,0]=1 337 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,0,0|0,0,0]=1 338 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,0,0|0,0,0]=1 339 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,0,0|0,0,0]=1 340 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,1,0,0,0,0|1,0,0]=2 341 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,1,0,0,0,0|1,0,0]=2 342 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [0,1,0,0,0,0|1,0,0]=2 343 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [0,1,0,0,0,0|1,0,1]=3 345 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [0,1,0,0,0,0|1,0,1]=3 346 B10R1.61 CC(N)C1=C(Br)C=CC=C1 CS20301 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.61 CC(N)C1=C(F)C=CC=C1 CS20318 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.61 CC(N)C1=C(F)C=CC=C1 MC429423 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [0,1,0,0,0,0|1,0,1]=3 350 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [0,1,0,0,0,0|1,0,2]=4 351 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [0,1,0,0,0,0|1,0,2]=4 352 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [0,1,0,0,0,0|1,0,2]=4 353 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,1,0,0,0,0|1,0,0]=2 361 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.61 CN(C)C1=NC=CN=C1N CS21223 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.61 Cc1ccccc1C(C)Br MC106119 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.61 FC(F)C1=NC=CC=C1Br MC430238 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.61 N=C(N)C1=NC=CC=C1F MC107335 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.61 NC(=O)C1=NC=CN=C1Cl CS15991 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.61 NC(=O)C1=NC=CN=C1N CS14571 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 MC40933 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,1,0,0,0,0|1,0,0]=2 392 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.61 NC1=CC=CN=C1[N+](=O)[O-] CS22747 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,1,0,0,0,0|1,0,0]=2 419 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,1,0,0,0,0|1,0,0]=2 420 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,1,0,0,0,0|1,0,0]=2 421 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,1,0,0,0,0|1,0,0]=2 422 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,1,0,0,0,0|2,0,0]=3 428 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 CS22913 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Br CS14952 [0,1,0,0,0,0|2,0,0]=3 432 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Cl MC427417 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.61 O=[N+]([O-])C1=NC=CC=C1F CS14954 [0,1,0,0,0,0|2,0,0]=3 434 B10R1.61 O=[N+]([O-])C1=NC=CC=C1I MC33501 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O CS21934 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl MC115890 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.61 O=[N+]([O-])c1ccccc1F MC41584 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.61 O=[N+]([O-])c1ccccc1F MC433531 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.61 O=[N+]([O-])c1ccccc1I MC41585 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.61 OB(O)C1=NC=CC=C1F MC431350 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,0,0|1,0,0]=2 444 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,0|2,0,0]=3 446 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,0,0|1,0,0]=2 450 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,0,0|1,0,0]=2 452 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,0,0|1,0,0]=2 454 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,0|1,0,0]=2 455 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,0,0|0,0,0]=1 456 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,0|0,0,0]=1 457 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,0,0|0,0,0]=1 458 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,0,0|0,0,0]=1 459 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,1,0,0,0,0|1,0,0]=2 460 B10R1.113 CC(C)C1=CC(N)=NC=N1 MC425906 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [0,1,0,0,0,0|1,0,1]=3 462 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [0,1,0,0,0,0|1,0,1]=3 463 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 MC431795 [0,1,0,0,0,0|1,0,1]=3 464 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19312 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19671 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS20262 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.113 CC(N)C1=CC(F)=CC=C1 MC429421 [0,1,0,0,0,0|2,0,1]=4 469 B10R1.113 CC(N)C1=CC=CC(N)=C1 MC116025 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [0,1,0,0,0,0|1,0,2]=4 472 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [0,1,0,0,0,0|1,0,2]=4 473 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [0,1,0,0,0,0|1,0,2]=4 474 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,1,0,0,0,0|0,0,2]=3 475 B10R1.113 CC1=CC(B(O)O)=NC=C1 MC106710 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,0,0|1,0,0]=2 478 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.113 CC1=CC=CC(B(O)O)=N1 MC106708 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,0,0|2,0,0]=3 484 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,0,0|1,0,0]=2 485 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.113 CC1=NC(C(=N)N)=NC=C1 MC444358 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.113 CN(C)C1=CC(Br)=CC=C1 MC40867 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 MC40885 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [0,1,0,0,0,0|2,0,0]=3 494 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS14905 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.113 CN(C)C1=NC=CC(Br)=N1 MC121215 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 MC33456 [0,1,0,0,0,0|2,0,0]=3 497 B10R1.113 CN(C)C1=NC=NC(Cl)=C1 CS14205 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.113 CN(C)C1=NC=NC(N)=C1 MC443403 [0,1,0,0,0,0|3,0,0]=4 499 B10R1.113 FC(F)C1=CC=CC(Br)=N1 MC432512 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.113 FC(F)C1=NC=CC(Br)=C1 CS17095 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 MC430833 [0,1,0,0,0,0|2,0,1]=4 502 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,0,0|2,0,0]=3 504 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,0,0|2,0,0]=3 506 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,0,0|1,0,0]=2 511 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,0,0|1,0,0]=2 512 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,0,0|1,0,0]=2 513 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 MC427506 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,0,0|1,0,0]=2 516 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.113 NC1=CC(C(F)F)=NC=C1 MC432405 [0,1,0,0,0,0|2,0,1]=4 518 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 CS22379 [0,1,0,0,0,0|3,0,0]=4 519 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 MC33357 [0,1,0,0,0,0|2,0,0]=3 520 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,0,0|2,0,0]=3 521 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,0,0|1,0,0]=2 522 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.113 NC1=NC([N+](=O)[O-])=CC=C1 CS18013 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,1,0,0,0,0|2,0,0]=3 526 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,0,0|1,0,0]=2 530 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,0,0|2,0,0]=3 537 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,0,0|2,0,0]=3 538 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,0,0|2,0,0]=3 539 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,0,0|1,0,0]=2 544 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,1,0,0,0,0|2,0,0]=3 545 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,0,0|1,0,0]=2 547 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,0,0|1,0,0]=2 550 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,0,0|1,0,0]=2 551 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,0,0|1,0,0]=2 552 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,0,0|1,0,0]=2 553 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,0,0|1,0,0]=2 554 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,0,0|1,0,0]=2 555 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,0,0|1,0,0]=2 556 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,1,0,0,0,0|2,0,0]=3 557 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,1,0,0,0,0|2,0,0]=3 558 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,0,0|2,0,0]=3 560 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,0,0|1,0,0]=2 561 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,1,0,0,0,0|2,0,1]=4 562 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,1,0,0,0,0|2,0,1]=4 563 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 CS20650 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=N1 CS13936 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 CS20664 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 CS21489 [0,1,0,0,0,0|2,0,0]=3 567 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 CS20684 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 CS19240 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 MC431103 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.113 O=[N+]([O-])C1=NC=CC(Cl)=C1 MC427461 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 MC105769 [0,1,0,0,0,0|2,0,0]=3 573 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 CS21711 [0,1,0,0,0,0|2,0,0]=3 574 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [0,0,0,1,0,0|1,0,2]=4 575 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [0,0,0,1,0,0|1,0,2]=4 576 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,1,0|1,0,0]=2 577 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,1,0|1,0,0]=2 578 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,1,0|2,0,0]=3 579 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [0,0,0,0,1,0|3,0,0]=4 580 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,1,0|1,0,0]=2 581 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,1,0|1,0,0]=2 582 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,1,0|1,0,0]=2 583 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,1,0|1,0,0]=2 584 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,1,0|1,0,0]=2 585 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,1,0|1,0,0]=2 586 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,1,0|1,0,0]=2 587 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,0,0,0,1,0|2,0,0]=3 588 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,1,0|2,0,1]=4 589 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,0,0,0,1,0|2,0,1]=4 590 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,0,0,0,1,0|2,0,1]=4 591 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [0,0,0,0,1,0|0,0,3]=4 592 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [0,0,0,0,1,0|0,0,3]=4 593 B8R1.7 N=C(N)C1=NC=CN1 MC102406 [0,0,0,0,1,0|3,0,0]=4 594 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [0,0,0,0,1,0|3,0,0]=4 595 B8R1.7 N=C(N)N1C=CC=N1 CS20721 [0,0,0,0,1,0|3,0,0]=4 596 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,0,0,0,1,0|2,0,0]=3 597 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,0,0,0,1,0|2,0,0]=3 598 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,0,0,0,1,0|2,0,0]=3 599 B8R1.7 NC(=S)C1=CNC=N1 MC111230 [0,0,0,0,1,0|2,1,0]=4 600 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,0,0,0,1,0|2,0,0]=3 601 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,1,0|1,0,1]=3 602 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,1,0|2,0,0]=3 603 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,1,0|2,0,0]=3 604 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,1,0|3,0,0]=4 605 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,0,1,0|3,0,0]=4 606 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,1,0|2,0,0]=3 607 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,0,1,0|2,0,0]=3 608 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,0,0,0,1,0|3,0,0]=4 609 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,0,0,0,1,0|3,0,0]=4 610 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,1,0|2,0,0]=3 611 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,0,1,0|2,0,0]=3 612 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,0,0,0,1,0|3,0,0]=4 613 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,1,0|2,0,0]=3 614 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,0,1,0|2,0,0]=3 615 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,0,0,0,1,0|3,0,0]=4 616 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,0,1,0|2,0,0]=3 617 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,1,0|2,0,0]=3 618 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,1,0|2,0,0]=3 619 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,0,1,0|2,0,0]=3 620 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,0,1,0|2,0,0]=3 621 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,0,0,0,1,0|3,0,0]=4 622 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,0,1,0|2,0,0]=3 623 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,0,0,0,1,0|2,0,1]=4 624 B8R1.7 O=[N+]([O-])C1=CNC=C1 CS22386 [0,0,0,0,1,0|3,0,0]=4 625 B8R1.7 O=[N+]([O-])C1=NC=CN1 CS14315 [0,0,0,0,1,0|3,0,0]=4 626 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [0,0,0,0,0,1|3,0,0]=4 627 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,1|2,0,0]=3 628 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,1|2,0,0]=3 629 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,1|0,0,0]=1 630 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,1|1,0,0]=2 631 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,1|1,0,0]=2 632 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,0,0,0,0,1|2,0,1]=4 633 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [0,0,0,0,0,1|2,0,1]=4 634 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,0,0,0,0,1|2,0,1]=4 635 B10R1.18 FC(F)OC1=NC=CC=C1 MC116213 [0,0,0,0,0,1|2,0,1]=4 636 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,1|2,0,0]=3 637 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,1|2,0,0]=3 638 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,1|2,0,0]=3 639 B10R1.18 NC(=S)NC1=NC=CC=C1 MC427166 [0,0,0,0,0,1|1,1,0]=3 640 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,1|2,0,0]=3 641 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,1|3,0,0]=4 642 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,1|2,0,0]=3 643 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,0,0,0,1|3,0,0]=4 644 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,0,0,0,1|3,0,0]=4 645 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,1|1,0,0]=2 646 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,1|2,0,0]=3 647 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,1|2,0,0]=3 648 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,1|2,0,0]=3 649 B10R1.18 O=[N+]([O-])NC1=NC=CC=C1 MC427288 [0,0,0,0,0,1|2,0,0]=3 650 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,1,0,0,0|1,0,1]=4 651 B7R1.3 BrC1=CC=CC=C1 MC41456 [2,0,0,0,0,0|2,0,0]=4 652 B7R1.3 BrC1=NC=CC=C1 CS17815 [2,0,0,0,0,0|1,0,0]=3 653 B7R1.3 BrC1=NC=CC=N1 CS13369 [2,0,0,0,0,0|2,0,0]=4 654 B7R1.3 BrC1=NC=CN=C1 CS15000 [2,0,0,0,0,0|2,0,0]=4 655 B7R1.3 BrC1=NC=NC=C1 MC106563 [2,0,0,0,0,0|2,0,0]=4 656 B7R1.3 CC1=CC=CN=C1 MC107850 [2,0,0,0,0,0|2,0,0]=4 657 B7R1.3 CC1=CC=CN=N1 CS22374 [2,0,0,0,0,0|1,0,0]=3 658 B7R1.3 CC1=CC=NC=C1 MC31239 [2,0,0,0,0,0|2,0,0]=4 659 B7R1.3 CC1=CC=NC=C1 MC41625 [2,0,0,0,0,0|2,0,0]=4 660 B7R1.3 CC1=NC=CC=C1 MC41623 [2,0,0,0,0,0|0,0,0]=2 661 B7R1.3 CC1=NC=NC=C1 CS19795 [2,0,0,0,0,0|1,0,0]=3 662 B7R1.3 C[N+]1=CC=CC=C1 CS17683 [2,0,0,0,0,0|2,0,0]=4 663 B7R1.3 ClC1=CC=CC=C1 MC41469 [2,0,0,0,0,0|2,0,0]=4 664 B7R1.3 ClC1=CC=CN=N1 MC444264 [2,0,0,0,0,0|2,0,0]=4 665 B7R1.3 ClC1=NC=CC=C1 MC20672 [2,0,0,0,0,0|1,0,0]=3 666 B7R1.3 ClC1=NC=CC=N1 MC10446 [2,0,0,0,0,0|2,0,0]=4 667 B7R1.3 ClC1=NC=CN=C1 CS15454 [2,0,0,0,0,0|2,0,0]=4 668 B7R1.3 ClC1=NC=NC=C1 MC444346 [2,0,0,0,0,0|2,0,0]=4 669 B7R1.3 FC1=CC=CC=C1 MC41489 [2,0,0,0,0,0|2,0,0]=4 670 B7R1.3 FC1=NC=CC=C1 MC20005 [2,0,0,0,0,0|1,0,0]=3 671 B7R1.3 FC1=NC=CC=N1 MC429402 [2,0,0,0,0,0|2,0,0]=4 672 B7R1.3 FC1=NC=CN=C1 MC33147 [2,0,0,0,0,0|2,0,0]=4 673 B7R1.3 IC1=CC=CC=C1 CS19958 [2,0,0,0,0,0|2,0,0]=4 674 B7R1.3 IC1=NC=CC=C1 CS14565 [2,0,0,0,0,0|1,0,0]=3 675 B7R1.3 IC1=NC=CC=N1 CS14968 [2,0,0,0,0,0|2,0,0]=4 676 B7R1.3 IC1=NC=CN=C1 MC425096 [2,0,0,0,0,0|2,0,0]=4 677 B7R1.3 IC1=NC=NC=C1 MC442584 [2,0,0,0,0,0|2,0,0]=4 678 B7R1.3 NC1=CC=CC=C1 MC40851 [2,0,0,0,0,0|2,0,0]=4 679 B7R1.3 NC1=CC=CN=N1 CS18539 [2,0,0,0,0,0|2,0,0]=4 680 B7R1.3 NC1=CC=CN=N1 CS19775 [2,0,0,0,0,0|2,0,0]=4 681 B7R1.3 NC1=NC=CC=C1 MC41600 [2,0,0,0,0,0|1,0,0]=3 682 B7R1.3 NC1=NC=CC=N1 CS13370 [2,0,0,0,0,0|2,0,0]=4 683 B7R1.3 NC1=NC=CN=C1 CS16102 [2,0,0,0,0,0|2,0,0]=4 684 B7R1.3 NC1=NC=NC=C1 CS19707 [2,0,0,0,0,0|2,0,0]=4 685 B7R1.3 O=C1C=CC=CN1 CS18724 [2,0,0,0,0,0|0,0,1]=3 686 B7R1.3 O=C1C=CC=NN1 CS19793 [2,0,0,0,0,0|1,0,1]=4 687 B7R1.3 O=C1C=CN=CN1 CS19105 [2,0,0,0,0,0|1,0,1]=4 688 B7R1.3 OC1=CC=CC=C1 MC41210 [2,0,0,0,0,0|1,0,1]=4 689 B7R1.3 OC1=NC=CC=C1 CS21602 [2,0,0,0,0,0|0,0,1]=3 690 B7R1.3 OC1=NC=CC=N1 CS14246 [2,0,0,0,0,0|1,0,1]=4 691 B7R1.3 OC1=NC=CC=N1 CS16090 [2,0,0,0,0,0|1,0,1]=4 692 B7R1.3 OC1=NC=CC=N1 MC41651 [2,0,0,0,0,0|1,0,1]=4 693 B7R1.3 OC1=NC=CN=C1 CS21601 [2,0,0,0,0,0|1,0,1]=4 694 B7R1.3 OC1=NC=NC=C1 CS15728 [2,0,0,0,0,0|1,0,1]=4 695 B7R1.3 PC1=CC=CC=C1 MC444841 [2,0,0,0,0,0|2,0,0]=4 696 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [2,0,0,0,0,0|1,1,0]=4 697 B9R1.1 C#CC1=NC=C(Br)C=C1 CS18607 [1,1,0,0,0,0|0,0,2]=4 698 B9R1.1 C#CC1=NC=C(F)C=C1 CS19540 [1,1,0,0,0,0|0,0,2]=4 699 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [1,1,0,0,0,0|0,0,1]=3 702 B9R1.1 C=CC1=NC=C(Br)C=N1 MC431909 [1,1,0,0,0,0|1,0,1]=4 703 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [1,1,0,0,0,0|0,0,0]=2 706 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,1,0,0,0,0|0,0,1]=3 718 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.1 CNC1=CC=C(Cl)N=N1 CS10696 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [1,1,0,0,0,0|1,0,0]=3 725 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,1,0,0,0,0|1,0,0]=3 726 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.1 COC1=CC=C(Br)N=N1 CS14617 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 COC1=CC=C(Cl)N=N1 CS17689 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,1,0,0,0,0|1,0,0]=3 734 B9R1.1 COC1=CC=C(N)N=N1 CS22091 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.1 COC1=CN=C(Br)C=N1 CS21377 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.1 COC1=CN=C(Cl)C=N1 CS14927 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.1 COC1=CN=C(N)C=N1 CS19706 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.1 COC1=NC=C(Br)C=N1 CS17652 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [1,1,0,0,0,0|1,0,0]=3 745 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [1,1,0,0,0,0|1,0,0]=3 746 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.1 COC1=NC=C(N)C=N1 CS21652 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.1 CSC1=NC=C(Br)C=N1 CS18002 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.1 CSC1=NC=C(O)C=N1 CS12580 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [1,1,0,0,0,0|1,0,1]=4 753 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [1,1,0,0,0,0|1,0,1]=4 755 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.1 N#CC1=CC=C(N)C=N1 CS19137 [1,1,0,0,0,0|1,0,1]=4 757 B9R1.1 N#CC1=NC=C(Br)C=C1 CS22025 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.1 N#CC1=NC=C(Cl)C=C1 CS22045 [1,1,0,0,0,0|1,0,1]=4 759 B9R1.1 N#CC1=NC=C(F)C=C1 CS12291 [1,1,0,0,0,0|1,0,1]=4 760 B9R1.1 N#CC1=NC=C(O)C=C1 MC429663 [1,1,0,0,0,0|1,0,1]=4 761 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [1,1,0,0,0,0|0,0,2]=4 763 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [1,1,0,0,0,0|1,0,1]=4 764 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [1,1,0,0,0,0|1,0,1]=4 765 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.1 NNC1=NC=C(Br)C=C1 CS19995 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.1 NNC1=NC=C(Cl)C=C1 CS20219 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.1 NNC1=NC=C(F)C=C1 CS17301 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.1 NNC1=NC=C(I)C=C1 MC432010 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.1 O=CC1=CC=C(Cl)N=N1 MC444424 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,1,0,0,0,0|1,0,0]=3 775 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,1,0,0,0,0|1,0,0]=3 776 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,1,0,0,0,0|1,0,0]=3 777 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [1,1,0,0,0,0|0,0,0]=2 782 B9R1.1 O=CC1=NC=C(Br)C=N1 MC113781 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [1,1,0,0,0,0|0,0,0]=2 784 B9R1.1 O=CC1=NC=C(Cl)C=N1 MC104699 [1,1,0,0,0,0|1,0,0]=3 785 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [1,1,0,0,0,0|0,0,0]=2 786 B9R1.1 O=CC1=NC=C(F)C=N1 MC103702 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [1,1,0,0,0,0|0,0,0]=2 788 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [1,1,0,0,0,0|0,0,2]=4 789 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [1,1,0,0,0,0|0,0,2]=4 790 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [1,1,0,0,0,0|0,0,2]=4 791 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [1,1,0,0,0,0|1,0,1]=4 792 B9R1.2 C#CC1=CC=CC(Cl)=N1 MC107226 [1,1,0,0,0,0|0,0,2]=4 793 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [1,1,0,0,0,0|0,0,2]=4 794 B9R1.2 CC1=CC(C#N)=NC=C1 CS20235 [1,1,0,0,0,0|1,0,1]=4 795 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [1,1,0,0,0,0|0,0,0]=2 797 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [1,1,0,0,0,0|1,0,1]=4 798 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [1,1,0,0,0,0|0,0,2]=4 799 B9R1.2 CC1=CC(NN)=NC=C1 CS13399 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,1,0,0,0,0|1,0,0]=3 802 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [1,1,0,0,0,0|0,0,0]=2 803 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [1,1,0,0,0,0|1,0,1]=4 804 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [1,1,0,0,0,0|0,0,2]=4 806 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [1,1,0,0,0,0|1,0,0]=3 808 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.2 CCC1=CC(Cl)=NC=N1 MC106509 [1,1,0,0,0,0|1,0,1]=4 811 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [1,1,0,0,0,0|1,0,1]=4 812 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [1,1,0,0,0,0|0,0,1]=3 813 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [1,1,0,0,0,0|1,0,1]=4 814 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [1,1,0,0,0,0|1,0,1]=4 815 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [1,1,0,0,0,0|0,0,1]=3 816 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.2 CNC1=NC(Cl)=CN=C1 CS10695 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [1,1,0,0,0,0|1,0,0]=3 823 B9R1.2 CNC1=NC=CC(Br)=N1 CS14470 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [1,1,0,0,0,0|1,0,0]=3 825 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.2 CNC1=NC=NC(Cl)=C1 CS19244 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.2 COC1=CC(Br)=NC=N1 MC441213 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.2 COC1=CC(Cl)=NC=N1 CS17690 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.2 COC1=CC(I)=NC=N1 CS17505 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.2 COC1=CC(N)=NC=N1 CS18114 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [1,1,0,0,0,0|1,0,0]=3 834 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [1,1,0,0,0,0|1,0,0]=3 836 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [1,1,0,0,0,0|1,0,0]=3 837 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [1,1,0,0,0,0|1,0,0]=3 839 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [1,1,0,0,0,0|1,0,0]=3 841 B9R1.2 COC1=CC=C[N+]([O-])=N1 MC427261 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.2 COC1=CN=CC(Br)=N1 MC431625 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.2 COC1=CN=CC(Cl)=N1 CS21483 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.2 COC1=CN=CC(N)=N1 CS12541 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.2 COC1=NC(Br)=NC=C1 CS12506 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [1,1,0,0,0,0|1,0,0]=3 847 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.2 COC1=NC(Cl)=NC=C1 CS21447 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.2 COC1=NC(I)=NC=C1 CS11917 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.2 COC1=NC(N)=NC=C1 MC441214 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.2 COC1=NC=CC(Br)=N1 MC442715 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [1,1,0,0,0,0|1,0,0]=3 854 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [1,1,0,0,0,0|1,0,0]=3 855 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [1,1,0,0,0,0|1,0,0]=3 856 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [1,1,0,0,0,0|1,0,0]=3 858 B9R1.2 COC1=NC=CC(N)=N1 CS10114 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [1,1,0,0,0,0|1,0,0]=3 860 B9R1.2 CSC1=CC(Cl)=NC=N1 CS12488 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [1,1,0,0,0,0|1,0,0]=3 863 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.2 CSC1=NC=CC(=O)N1 CS22771 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.2 CSC1=NC=CC(Br)=N1 MC425588 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [1,1,0,0,0,0|1,0,0]=3 867 B9R1.2 CSC1=NC=CC(Cl)=N1 CS18332 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.2 CSC1=NC=CC(N)=N1 CS20913 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [1,1,0,0,0,0|1,0,1]=4 871 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [1,1,0,0,0,0|1,0,1]=4 872 B9R1.2 N#CC1=NC(Cl)=CC=C1 CS14156 [1,1,0,0,0,0|1,0,1]=4 873 B9R1.2 N#CC1=NC(F)=CC=C1 CS21512 [1,1,0,0,0,0|1,0,1]=4 874 B9R1.2 N#CC1=NC(N)=CC=C1 MC425282 [1,1,0,0,0,0|1,0,1]=4 875 B9R1.2 N#CC1=NC=CC(Br)=C1 CS18399 [1,1,0,0,0,0|1,0,1]=4 876 B9R1.2 N#CC1=NC=CC(Cl)=C1 CS18109 [1,1,0,0,0,0|1,0,1]=4 877 B9R1.2 N#CC1=NC=CC(O)=C1 MC443349 [1,1,0,0,0,0|1,0,1]=4 878 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [1,1,0,0,0,0|0,0,2]=4 879 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [1,1,0,0,0,0|0,0,0]=2 880 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [1,1,0,0,0,0|0,0,2]=4 881 B9R1.2 NC1=NC=CC(C=O)=C1 CS18505 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.2 NC1=NC=CC(C=O)=C1 MC103369 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [1,1,0,0,0,0|1,0,1]=4 884 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [1,1,0,0,0,0|1,0,1]=4 885 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [1,1,0,0,0,0|1,0,1]=4 886 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [1,1,0,0,0,0|1,0,1]=4 887 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [1,1,0,0,0,0|1,0,1]=4 888 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [1,1,0,0,0,0|1,0,1]=4 889 B9R1.2 NNC1=CC=CC(Cl)=N1 CS21479 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.2 NNC1=NC=CC(F)=C1 MC115508 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [1,1,0,0,0,0|1,0,0]=3 892 B9R1.2 O=CC1=CC(Br)=NC=C1 CS18783 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.2 O=CC1=CC(F)=NC=C1 MC431324 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.2 O=CC1=CC=C[N+]([O-])=C1 CS17137 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [1,1,0,0,0,0|0,0,0]=2 903 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [1,1,0,0,0,0|0,0,0]=2 904 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [1,1,0,0,0,0|1,0,0]=3 905 B9R1.2 O=CC1=NC(Cl)=NC=C1 MC104746 [1,1,0,0,0,0|1,0,0]=3 906 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [1,1,0,0,0,0|0,0,0]=2 907 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [1,1,0,0,0,0|0,0,0]=2 908 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [1,1,0,0,0,0|0,0,0]=2 909 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [1,1,0,0,0,0|1,0,0]=3 910 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [1,1,0,0,0,0|0,0,2]=4 911 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [1,1,0,0,0,0|0,0,2]=4 912 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [1,1,0,0,0,0|0,0,2]=4 913 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [1,1,0,0,0,0|0,0,2]=4 914 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [1,1,0,0,0,0|0,0,2]=4 915 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [1,1,0,0,0,0|0,0,2]=4 916 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [1,1,0,0,0,0|0,0,2]=4 917 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,1,0,0,0,0|1,0,1]=4 918 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,1,0,0,0,0|1,0,1]=4 919 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,1,0,0,0,0|0,0,1]=3 920 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,1,0,0,0,0|1,0,1]=4 921 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,1,0,0,0,0|1,0,1]=4 922 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,1,0,0,0,0|1,0,1]=4 923 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,1,0,0,0,0|1,0,1]=4 924 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,1,0,0,0,0|0,0,1]=3 925 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,1,0,0,0,0|1,0,1]=4 926 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,1,0,0,0,0|1,0,1]=4 927 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,1,0,0,0,0|0,0,2]=4 928 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,1,0,0,0,0|1,0,1]=4 929 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,1,0,0,0,0|0,0,1]=3 930 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,1,0,0,0,0|1,0,1]=4 931 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,1,0,0,0,0|1,0,1]=4 932 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,1,0,0,0,0|1,0,1]=4 933 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,1,0,0,0,0|1,0,0]=3 936 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,1,0,0,0,0|1,0,0]=3 937 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,1,0,0,0,0|1,0,0]=3 938 B9R1.8 O=NNC1=NC=CN=C1 MC34139 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,1,0,0,0,0|1,0,1]=4 940 B9R1.15 C=CC1=C(Br)C=CC=C1 CS18853 [1,1,0,0,0,0|1,0,1]=4 941 B9R1.15 C=CC1=C(Cl)C=CC=C1 CS19873 [1,1,0,0,0,0|1,0,1]=4 942 B9R1.15 CC1=CC=CC=C1C=O CS19114 [1,1,0,0,0,0|1,0,0]=3 943 B9R1.15 CC1=CC=CN=C1C#N CS20234 [1,1,0,0,0,0|1,0,1]=4 944 B9R1.15 CC1=CC=CN=C1C=O CS14987 [1,1,0,0,0,0|0,0,0]=2 945 B9R1.15 CC1=CC=CN=C1CCl CS15725 [1,1,0,0,0,0|1,0,1]=4 946 B9R1.15 CC1=CC=CN=C1CO CS19225 [1,1,0,0,0,0|0,0,2]=4 947 B9R1.15 CC1=CC=NC=C1C=O MC442433 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [1,1,0,0,0,0|1,0,1]=4 949 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [1,1,0,0,0,0|1,0,1]=4 950 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [1,1,0,0,0,0|1,0,1]=4 951 B9R1.15 CCC1=NC=CC=C1Br MC105746 [1,1,0,0,0,0|0,0,1]=3 952 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [1,1,0,0,0,0|1,0,1]=4 953 B9R1.15 CCC1=NC=NC=C1F CS19573 [1,1,0,0,0,0|1,0,1]=4 954 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.15 CNC1=CC=CC=C1N CS22302 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.15 CNC1=NC=CC=C1Br CS17281 [1,1,0,0,0,0|1,0,0]=3 958 B9R1.15 CNC1=NC=CC=C1Cl MC33482 [1,1,0,0,0,0|1,0,0]=3 959 B9R1.15 CNC1=NC=CC=C1N MC427393 [1,1,0,0,0,0|1,0,0]=3 960 B9R1.15 CNC1=NC=NC=C1Br MC425769 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.15 COC1=C(Br)C=CC=C1 CS19150 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.15 COC1=C(F)C=CC=C1 CS19904 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.15 COC1=C(I)C=CC=C1 MC41341 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.15 COC1=C(N)C=CC=C1 CS11812 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.15 COC1=NC=CC=C1Br CS19258 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.15 COC1=NC=CC=C1C MC33438 [1,1,0,0,0,0|1,0,0]=3 968 B9R1.15 COC1=NC=CC=C1Cl CS18705 [1,1,0,0,0,0|1,0,0]=3 969 B9R1.15 COC1=NC=CC=C1F CS19564 [1,1,0,0,0,0|1,0,0]=3 970 B9R1.15 COC1=NC=CC=C1I CS13512 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.15 COC1=NC=CC=C1N CS19526 [1,1,0,0,0,0|1,0,0]=3 972 B9R1.15 COC1=NC=CN=C1Br CS12288 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.15 COC1=NC=CN=C1Cl CS14291 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.15 COC1=NC=CN=C1N MC441119 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.15 CSC1=C(I)C=CC=C1 MC433405 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.15 ClC1=CC=CN=C1CBr MC116292 [1,1,0,0,0,0|1,0,1]=4 977 B9R1.15 FC1=CC=CN=C1CBr MC430869 [1,1,0,0,0,0|1,0,1]=4 978 B9R1.15 FC1=CC=CN=C1CCl MC425766 [1,1,0,0,0,0|1,0,1]=4 979 B9R1.15 N#CC1=NC=CC=C1Br CS14847 [1,1,0,0,0,0|1,0,1]=4 980 B9R1.15 N#CC1=NC=CC=C1Cl CS18276 [1,1,0,0,0,0|1,0,1]=4 981 B9R1.15 N#CC1=NC=CC=C1F CS20013 [1,1,0,0,0,0|1,0,1]=4 982 B9R1.15 N#CC1=NC=CC=C1I CS12161 [1,1,0,0,0,0|1,0,1]=4 983 B9R1.15 N#CC1=NC=CC=C1O CS21861 [1,1,0,0,0,0|1,0,1]=4 984 B9R1.15 NC1=C(C=O)C=CC=C1 MC20756 [1,1,0,0,0,0|1,0,0]=3 985 B9R1.15 NC1=C(C=O)C=CC=N1 CS19340 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.15 NC1=C(C=O)C=CN=C1 CS14976 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.15 NC1=CC=NC=C1C=O CS19349 [1,1,0,0,0,0|2,0,0]=4 988 B9R1.15 NC1=NC=CN=C1C=O CS13122 [1,1,0,0,0,0|1,0,0]=3 989 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [1,1,0,0,0,0|1,0,1]=4 990 B9R1.15 NCC1=NC=CC=C1F MC104008 [1,1,0,0,0,0|1,0,1]=4 991 B9R1.15 NCC1=NC=CC=C1O MC443567 [1,1,0,0,0,0|1,0,1]=4 992 B9R1.15 NNC1=NC=CC=C1Cl CS20171 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.15 O=CC1=C(Br)C=CC=C1 CS19251 [1,1,0,0,0,0|1,0,0]=3 994 B9R1.15 O=CC1=C(Br)C=NC=C1 CS15669 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.15 O=CC1=C(Br)N=CC=C1 CS17915 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.15 O=CC1=C(Cl)C=CN=C1 MC425655 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.15 O=CC1=C(Cl)C=NC=C1 CS15780 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.15 O=CC1=C(Cl)N=CC=C1 CS14208 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.15 O=CC1=C(F)C=CC=C1 CS21560 [1,1,0,0,0,0|1,0,0]=3 1000 B9R1.15 O=CC1=C(F)N=CC=C1 CS18263 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.15 O=CC1=C(I)C=CC=C1 CS20131 [1,1,0,0,0,0|1,0,0]=3 1002 B9R1.15 O=CC1=C(O)C=CC=C1 MC41121 [1,1,0,0,0,0|1,0,0]=3 1003 B9R1.15 O=CC1=C(O)C=NC=C1 CS13859 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.15 O=CC1=C(O)N=CC=C1 CS19011 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.15 O=CC1=CN=CC=C1Br MC429512 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.15 O=CC1=CN=CC=C1O CS15926 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.15 O=CC1=CNC=CC1=O CS17898 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.15 O=CC1=NC=CC=C1Br MC442737 [1,1,0,0,0,0|0,0,0]=2 1009 B9R1.15 O=CC1=NC=CC=C1F CS14128 [1,1,0,0,0,0|0,0,0]=2 1010 B9R1.15 O=CC1=NC=CC=C1O MC443215 [1,1,0,0,0,0|0,0,0]=2 1011 B9R1.15 O=CC1=NC=CN=C1Cl MC103025 [1,1,0,0,0,0|1,0,0]=3 1012 B9R1.15 OCC1=NC=CC=C1Br MC431297 [1,1,0,0,0,0|0,0,2]=4 1013 B9R1.15 OCC1=NC=CC=C1Br MC431298 [1,1,0,0,0,0|0,0,2]=4 1014 B9R1.15 OCC1=NC=CC=C1Cl CS17318 [1,1,0,0,0,0|0,0,2]=4 1015 B9R1.15 OCC1=NC=CC=C1F MC430870 [1,1,0,0,0,0|0,0,2]=4 1016 B9R1.15 OCC1=NC=CC=C1O MC20200 [1,1,0,0,0,0|0,0,2]=4 1017 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,1,0,0,1,0|0,0,1]=3 1018 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,1,0,0,1,0|1,0,0]=3 1019 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,1,0,0,1,0|2,0,0]=4 1020 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,1,0,0,1,0|1,0,0]=3 1021 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,1,0,0,1,0|1,0,0]=3 1022 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [0,1,0,0,1,0|2,0,0]=4 1023 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [0,1,0,0,1,0|2,0,0]=4 1024 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,1,0,0,1,0|1,0,0]=3 1025 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,1,0,0,1,0|1,0,0]=3 1026 B9R1.11 COC(=O)C1=NNC=N1 CS16131 [0,1,0,0,1,0|2,0,0]=4 1027 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [0,1,0,0,1,0|2,0,0]=4 1028 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [0,1,0,0,1,0|1,0,0]=3 1029 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,1,0|1,0,0]=3 1030 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,1,0,0,1,0|2,0,0]=4 1031 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,1,0,0,1,0|2,0,0]=4 1032 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,1,0|2,0,0]=4 1033 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,1,0|1,0,0]=3 1034 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,1,0,0,1,0|1,0,1]=4 1035 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,1,0|1,0,0]=3 1036 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,1,0|1,0,0]=3 1037 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,1,0|1,0,0]=3 1038 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,1,0,0,1,0|2,0,0]=4 1039 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,1,0,0,1,0|1,0,0]=3 1040 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,1,0,0,1,0|1,0,0]=3 1041 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,1,0|1,0,0]=3 1042 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,1,0|1,0,0]=3 1043 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,1,0,0,1,0|1,0,0]=3 1044 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,0,1,0|2,0,0]=4 1045 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,1,0,0,1,0|2,0,0]=4 1046 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,1,0,0,1,0|2,0,0]=4 1047 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,1,0|2,0,0]=4 1048 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,1,0|2,0,0]=4 1049 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,1,0|2,0,0]=4 1050 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,1,0|2,0,0]=4 1051 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,1,0|2,0,0]=4 1052 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,0,1,0|2,0,0]=4 1053 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,0,1,0|2,0,0]=4 1054 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,1,0,0,1,0|2,0,0]=4 1055 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,1,0,0,1,0|2,0,0]=4 1056 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,1,0|2,0,0]=4 1057 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,0,1,0|1,0,1]=4 1058 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,1,0|2,0,0]=4 1059 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,1,0,0,1,0|2,0,0]=4 1060 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,1,0,0,1,0|2,0,0]=4 1061 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,1,0,0,1,0|2,0,0]=4 1062 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,1,0,0,1,0|2,0,0]=4 1063 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,1,0,0,1,0|2,0,0]=4 1064 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,1,0|2,0,0]=4 1065 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,0,1,0|2,0,0]=4 1066 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,0,1,0|1,0,1]=4 1067 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,0,1,0|2,0,0]=4 1068 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,0,1,0|2,0,0]=4 1069 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,1,0|1,0,1]=4 1070 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,1,0|2,0,0]=4 1071 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,1,0|2,0,0]=4 1072 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,1,0|2,0,0]=4 1073 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,1,0|2,0,0]=4 1074 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,1,0,0,1,0|2,0,0]=4 1075 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,1,0,0,1,0|2,0,0]=4 1076 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,1,0,0,1,0|2,0,0]=4 1077 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,1,0,0,1,0|2,0,0]=4 1078 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,1,0,0,1,0|2,0,0]=4 1079 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,1,0,0,1,0|2,0,0]=4 1080 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,0,1,0|2,0,0]=4 1081 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,1,0,0,1,0|2,0,0]=4 1082 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,1,0,0,1,0|2,0,0]=4 1083 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,1,0,0,1,0|2,0,0]=4 1084 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,0,1,0|2,0,0]=4 1085 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,1,0,0,1,0|2,0,0]=4 1086 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,1,0,0,1,0|2,0,0]=4 1087 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,1,0,0,1,0|1,0,0]=3 1088 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,1,0,0,1,0|1,0,0]=3 1089 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,1,0,0,1,0|2,0,0]=4 1090 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,1,0,0,1,0|2,0,0]=4 1091 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,1,0,0,1,0|2,0,0]=4 1092 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,1,0,0,1,0|2,0,0]=4 1093 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,0,1,0|1,0,1]=4 1094 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,0,1,0|2,0,0]=4 1095 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,1,0,0,1,0|2,0,0]=4 1096 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,1,0,0,1,0|2,0,0]=4 1097 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21952 [0,1,0,0,1,0|2,0,0]=4 1098 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21953 [0,1,0,0,1,0|2,0,0]=4 1099 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,1,0,0,1,0|2,0,0]=4 1100 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [0,1,0,0,1,0|2,0,0]=4 1101 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,1,0,0,1,0|1,0,1]=4 1102 B9R1.41 NC(=O)C1=NNC=C1Br CS14484 [0,1,0,0,1,0|2,0,0]=4 1103 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [0,1,0,0,1,0|2,0,0]=4 1104 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,1,0,0,1,0|2,0,0]=4 1105 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,1,0,0,1,0|2,0,0]=4 1106 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,1,0,0,1,0|2,0,0]=4 1107 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,1,0,0,1,0|2,0,0]=4 1108 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,1,0,0,1,0|2,0,0]=4 1109 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,1,0,0,1,0|2,0,0]=4 1110 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [0,1,0,0,1,0|2,0,0]=4 1111 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [0,1,0,0,1,0|2,0,0]=4 1112 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [0,1,0,0,1,0|2,0,0]=4 1113 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,1,0,0,1,0|2,0,0]=4 1114 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,1|1,0,0]=3 1115 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,1|1,0,0]=3 1116 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,0,0,0,1|1,0,0]=3 1117 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 MC443192 [0,1,0,0,0,1|1,0,0]=3 1118 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,0,0,0,1|1,0,0]=3 1119 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,1,0,0,0,1|0,0,0]=2 1120 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 MC443320 [0,1,0,0,0,1|1,0,0]=3 1121 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,0,0,0,1|1,0,0]=3 1122 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,0,0,0,1|1,0,0]=3 1123 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,0,0,0,1|1,0,0]=3 1124 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,1,0,0,0,1|1,0,0]=3 1126 B11R1.20 NC(=S)NC1=NC=C(I)C=C1 MC118294 [0,1,0,0,0,1|1,1,0]=4 1127 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,1,0,0,0,1|2,0,0]=4 1128 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 MC444153 [0,1,0,0,0,1|2,0,0]=4 1129 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [0,1,0,0,0,1|2,0,0]=4 1130 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [0,1,0,0,0,1|2,0,0]=4 1131 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,1,0,0,0,1|2,0,0]=4 1132 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,1,0,0,0,1|2,0,0]=4 1133 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,1,0,0,0,1|2,0,0]=4 1134 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,1,0,0,0,1|2,0,0]=4 1135 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,1,0,0,0,1|2,0,0]=4 1136 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,1,0,0,0,1|2,0,0]=4 1137 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,1,0,0,0,1|1,0,0]=3 1138 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 CS12143 [0,1,0,0,0,1|2,0,0]=4 1139 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,1,0,0,0,1|1,0,0]=3 1140 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 CS14652 [0,1,0,0,0,1|2,0,0]=4 1141 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,1,0,0,0,1|2,0,0]=4 1142 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,0,0,0,1|2,0,0]=4 1143 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,0,0,0,1|2,0,0]=4 1144 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,1,0,0,0,1|2,0,0]=4 1145 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,1,0,0,0,1|2,0,0]=4 1146 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,1,0,0,0,1|2,0,0]=4 1147 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,0,0,0,1|2,0,0]=4 1148 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,0,0,0,1|2,0,0]=4 1149 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,0,0,0,1|2,0,0]=4 1150 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,0,0,0,1|2,0,0]=4 1151 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,0,0,0,1|2,0,0]=4 1152 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,0,0,0,1|2,0,0]=4 1153 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,0,0,0,1|2,0,0]=4 1154 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,1|1,0,0]=3 1155 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,1,0,0,0,1|1,0,0]=3 1156 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,1,0,0,0,1|1,0,0]=3 1157 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,1|1,0,0]=3 1158 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,0,0,0,1|1,0,0]=3 1159 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,0,0,0,1|1,0,0]=3 1160 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,0,0,0,1|1,0,0]=3 1161 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,0,0,0,1|1,0,0]=3 1162 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,1,0,0,0,1|0,0,0]=2 1163 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,0,0,0,1|1,0,0]=3 1164 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [0,1,0,0,0,1|1,1,0]=4 1165 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [0,1,0,0,0,1|1,0,1]=4 1166 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,1,0,0,0,1|2,0,0]=4 1167 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,1,0,0,0,1|2,0,0]=4 1168 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,1,0,0,0,1|2,0,0]=4 1169 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,1,0,0,0,1|2,0,0]=4 1170 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,1,0,0,0,1|2,0,0]=4 1171 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,1,0,0,0,1|2,0,0]=4 1173 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [0,1,0,0,0,1|1,0,0]=3 1174 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [0,1,0,0,0,1|1,0,0]=3 1175 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [0,1,0,0,0,1|1,0,0]=3 1176 B11R1.86 O=C(O)CC1=NC=CN=C1Cl MC104770 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,0,0,0,1|1,0,0]=3 1178 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [0,1,0,0,0,1|2,0,0]=4 1179 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,0,0,0,1|1,0,0]=3 1180 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,0,0,0,1|1,0,0]=3 1181 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 MC20703 [0,1,0,0,0,1|1,0,0]=3 1182 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [0,1,0,0,0,1|0,0,0]=2 1183 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [0,1,0,0,0,1|0,0,0]=2 1184 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 MC115540 [0,1,0,0,0,1|1,0,0]=3 1185 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,0,0,0,1|1,0,0]=3 1186 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,0,0,1|1,0,0]=3 1187 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,0,0,0,1|1,0,0]=3 1188 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [0,1,0,0,0,1|1,0,1]=4 1189 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,1,0,0,0,1|1,0,0]=3 1190 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,1,0,0,0,1|1,0,0]=3 1191 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,1,0,0,0,1|2,0,0]=4 1192 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [0,1,0,0,0,1|2,0,0]=4 1193 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [0,1,0,0,0,1|2,0,0]=4 1194 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [0,1,0,0,0,1|2,0,0]=4 1195 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [0,1,0,0,0,1|2,0,0]=4 1196 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [0,1,0,0,0,1|2,0,0]=4 1197 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [0,1,0,0,0,1|2,0,0]=4 1198 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [0,1,0,0,0,1|1,0,0]=3 1199 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 CS12495 [0,1,0,0,0,1|2,0,0]=4 1200 B11R1.157 O=[N+]([O-])NC1=NC=CC(Cl)=C1 MC427276 [0,1,0,0,0,1|2,0,0]=4 1201 B11R1.3 C#Cc1ccc(C(=O)O)cc1 CS17809 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 MC425378 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,2,0,0,0,0|1,0,0]=3 1206 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 MC431722 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.3 CN(C)C1=NC=C(CN)C=C1 MC443720 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,2,0,0,0,0|1,0,0]=3 1213 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.3 COC1=CN=C(C(=O)Cl)C=N1 MC106028 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,2,0,0,0,0|1,0,0]=3 1216 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,2,0,0,0,0|0,0,0]=2 1218 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 MC33485 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 MC40462 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 CS21997 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 CS15778 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.3 NC(=O)C1=NC=C(C=O)C=C1 MC432013 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS10519 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 MC40458 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS20792 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.19 CC(C)(N)C1=NC=C(Br)C=C1 MC102695 [0,2,0,0,0,0|1,0,1]=4 1232 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 CS16019 [0,2,0,0,0,0|0,0,2]=4 1233 B11R1.19 CC1=CN=C(S(=O)(=O)Cl)C=C1 MC443568 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.19 CC1=CN=C(S(N)(=O)=O)C=C1 CS19599 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 CS10464 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 CS16414 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)N=N1 CS12831 [0,2,0,0,0,0|2,0,0]=4 1238 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 CS20302 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 CS20413 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=N1 CS14272 [0,2,0,0,0,0|1,0,0]=3 1241 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 CS20393 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=N1 CS17551 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.19 CS(=O)(=O)C1=NC=C(N)C=N1 MC442788 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,2,0,0,0,0|1,0,0]=3 1246 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,2,0,0,0,0|1,0,0]=3 1248 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,2,0,0,0,0|1,0,0]=3 1250 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,2,0,0,0,0|1,0,0]=3 1251 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,2,0,0,0,0|1,0,0]=3 1252 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,2,0,0,0,0|1,0,0]=3 1254 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,2,0,0,0,0|1,0,0]=3 1255 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,2,0,0,0,0|1,0,0]=3 1256 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,2,0,0,0,0|1,0,0]=3 1257 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,2,0,0,0,0|1,0,0]=3 1259 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,2,0,0,0,0|1,0,0]=3 1260 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,2,0,0,0,0|1,0,0]=3 1262 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,2,0,0,0,0|1,0,0]=3 1265 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,2,0,0,0,0|1,0,0]=3 1268 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,2,0,0,0,0|1,0,0]=3 1274 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,2,0,0,0,0|1,0,0]=3 1278 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.21 CC1=CC(N(C)C)=NC=C1Br MC425105 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.21 CC1=CC([N+](=O)[O-])=NC=C1Cl MC429898 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [0,2,0,0,0,0|1,0,1]=4 1288 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,2,0,0,0,0|1,0,0]=3 1290 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 CS14626 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.21 NC(=O)C1=NC(Br)=C(Cl)C=C1 MC108007 [0,2,0,0,0,0|1,0,0]=3 1292 B11R1.21 NC(=O)C1=NC(Cl)=C(Br)C=C1 MC108013 [0,2,0,0,0,0|1,0,0]=3 1293 B11R1.21 NC(=O)C1=NC(Cl)=C(Cl)C=C1 MC110050 [0,2,0,0,0,0|1,0,0]=3 1294 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 MC40225 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 MC33100 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 CS20206 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS20228 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS10439 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 MC31156 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.21 NC1=C(I)N=C(C(=O)O)C=N1 MC104768 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 CS20381 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 CS20332 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CS10491 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [0,2,0,0,0,0|1,0,0]=3 1306 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl MC20248 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br MC101922 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [0,2,0,0,0,0|1,0,0]=3 1309 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 MC21024 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.21 O=C(Cl)C1=CC(Cl)=C(F)C=C1 MC30275 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 MC40445 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 MC40454 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 MC30095 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.21 O=C(Cl)C1=NC(Br)=C(F)C=C1 MC106017 [0,2,0,0,0,0|1,0,0]=3 1315 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 CS13169 [0,2,0,0,0,0|1,0,1]=4 1316 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 MC433643 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS19835 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS21914 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS16354 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 MC40236 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS14672 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 CS19962 [0,2,0,0,0,0|2,0,0]=4 1323 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 CS20110 [0,2,0,0,0,0|2,0,0]=4 1324 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 CS21990 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS19967 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 CS20015 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 CS22285 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 MC40282 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 MC441218 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 MC434062 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS12746 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 MC441219 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 CS22662 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS20111 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 MC40283 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS18380 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 CS20259 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 CS16864 [0,2,0,0,0,0|1,0,1]=4 1339 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 CS17670 [0,2,0,0,0,0|1,0,1]=4 1340 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,2,0,0,0,0|1,0,0]=3 1341 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,2,0,0,0,0|1,0,0]=3 1342 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,2,0,0,0,0|1,0,0]=3 1344 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [0,2,0,0,0,0|2,0,0]=4 1346 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [0,2,0,0,0,0|1,0,0]=3 1347 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [0,2,0,0,0,0|1,0,0]=3 1348 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [0,2,0,0,0,0|1,0,0]=3 1349 B11R1.21 O=C([O-])C1=CC(Cl)=C(F)C=C1 MC40342 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.21 O=C([O-])C1=CC(F)=C(F)C=C1 MC40348 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,2,0,0,0,0|1,0,0]=3 1354 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,2,0,0,0,0|1,0,0]=3 1356 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,2,0,0,0,0|1,0,0]=3 1361 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,2,0,0,0,0|1,0,0]=3 1362 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,2,0,0,0,0|1,0,0]=3 1367 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,2,0,0,0,0|2,0,0]=4 1373 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,2,0,0,0,0|0,0,0]=2 1374 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [0,2,0,0,0,0|1,0,0]=3 1375 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,2,0,0,0,0|0,0,0]=2 1377 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,2,0,0,0,0|1,0,0]=3 1378 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,2,0,0,0,0|1,0,0]=3 1379 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,2,0,0,0,0|0,0,0]=2 1380 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,2,0,0,0,0|0,0,0]=2 1381 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [0,2,0,0,0,0|1,0,0]=3 1382 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,2,0,0,0,0|0,0,0]=2 1385 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,2,0,0,0,0|1,0,0]=3 1387 B11R1.22 NC(CO)C1=NC=C(F)C=C1 MC114776 [0,2,0,0,0,0|1,0,1]=4 1388 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,2,0,0,0,0|1,0,0]=3 1389 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,2,0,0,0,0|1,0,0]=3 1390 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.22 NNC(=O)C1=NC=C(Cl)N=C1 CS12382 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 CS16150 [0,2,0,0,0,0|1,0,0]=3 1397 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,2,0,0,0,0|1,0,0]=3 1398 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,2,0,0,0,0|1,0,0]=3 1399 B11R1.22 O=C(CBr)C1=CC=C(Cl)N=N1 MC431152 [0,2,0,0,0,0|1,0,0]=3 1400 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,2,0,0,0,0|1,0,0]=3 1401 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,2,0,0,0,0|1,0,0]=3 1402 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,2,0,0,0,0|1,0,0]=3 1403 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,2,0,0,0,0|1,0,0]=3 1404 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [0,2,0,0,0,0|1,0,1]=4 1405 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [0,2,0,0,0,0|1,0,1]=4 1406 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [0,2,0,0,0,0|1,0,1]=4 1407 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [0,2,0,0,0,0|1,0,1]=4 1408 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [0,2,0,0,0,0|1,0,0]=3 1409 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [0,2,0,0,0,0|1,0,0]=3 1411 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [0,2,0,0,0,0|1,0,0]=3 1413 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [0,2,0,0,0,0|1,0,0]=3 1414 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,2,0,0,0,0|1,0,0]=3 1415 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [0,2,0,0,0,0|1,0,0]=3 1416 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [0,2,0,0,0,0|1,0,0]=3 1417 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [0,2,0,0,0,0|1,0,0]=3 1419 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,2,0,0,0,0|1,0,0]=3 1421 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [0,2,0,0,0,0|1,0,0]=3 1422 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [0,2,0,0,0,0|1,0,0]=3 1423 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [0,2,0,0,0,0|1,0,0]=3 1424 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,2,0,0,0,0|1,0,0]=3 1425 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,2,0,0,0,0|1,0,0]=3 1427 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,2,0,0,0,0|1,0,0]=3 1428 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,2,0,0,0,0|1,0,0]=3 1429 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [0,2,0,0,0,0|2,0,0]=4 1430 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [0,2,0,0,0,0|2,0,0]=4 1431 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [0,2,0,0,0,0|0,0,0]=2 1432 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [0,2,0,0,0,0|0,0,0]=2 1433 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,2,0,0,0,0|0,0,0]=2 1434 B11R1.166 CC(O)C1=NC=C(Br)C=C1F MC431737 [0,2,0,0,0,0|0,0,2]=4 1435 B11R1.166 CC1=C(C(=O)Cl)C=CC(F)=C1 MC40480 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 CS15606 [0,2,0,0,0,0|2,0,0]=4 1437 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 CS22749 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 CS18188 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 CS12971 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [0,2,0,0,0,0|1,0,0]=3 1443 B11R1.166 CC1=CC(Br)=CN=C1[N+](=O)[O-] MC33337 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 MC40470 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,2,0,0,0,0|1,0,0]=3 1448 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [0,2,0,0,0,0|1,0,0]=3 1450 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 CS20440 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 CS15178 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [0,2,0,0,0,0|1,0,0]=3 1456 B11R1.166 N=C(N)C1=NC=C(F)C=C1F MC432582 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 MC433800 [0,2,0,0,0,0|2,0,0]=4 1458 B11R1.166 NC(=O)C1=C(Br)C=C(F)C=C1 MC430721 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 MC432630 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 MC111276 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 CS14625 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 CS15300 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 MC445681 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Br MC108014 [0,2,0,0,0,0|1,0,0]=3 1465 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Cl CS16870 [0,2,0,0,0,0|1,0,0]=3 1466 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 CS20180 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS20207 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS21809 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 CS21253 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 CS12851 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O CS14395 [0,2,0,0,0,0|1,0,0]=3 1472 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 CS10414 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O MC429964 [0,2,0,0,0,0|1,0,0]=3 1474 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 CS20227 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 CS22593 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 MC40444 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 MC40465 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS21072 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 CS19824 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 CS21353 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 CS15275 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 CS10220 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS14611 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 MC40252 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 CS20109 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 CS21987 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 MC40253 [0,2,0,0,0,0|2,0,0]=4 1488 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 MC40267 [0,2,0,0,0,0|2,0,0]=4 1489 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 CS21546 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 CS10370 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.166 O=C(O)C1=C(F)C=C(S)C=C1 MC106336 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS22743 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS14997 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 MC442268 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 MC30324 [0,2,0,0,0,0|2,0,0]=4 1496 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 CS14628 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS14175 [0,2,0,0,0,0|2,0,0]=4 1498 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 MC33215 [0,2,0,0,0,0|2,0,0]=4 1499 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br MC20838 [0,2,0,0,0,0|1,0,0]=3 1500 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl MC31031 [0,2,0,0,0,0|1,0,0]=3 1501 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F MC429610 [0,2,0,0,0,0|1,0,0]=3 1502 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl CS21897 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl MC442260 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br MC429650 [0,2,0,0,0,0|1,0,0]=3 1505 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl MC430828 [0,2,0,0,0,0|1,0,0]=3 1506 B11R1.166 O=C(O)C1=NC=C(F)C=C1F MC429507 [0,2,0,0,0,0|1,0,0]=3 1507 B11R1.166 O=C([O-])C1=C(F)C=C(F)C=C1 MC40347 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.166 O=[N+]([O-])C1=NC=C(Br)C=C1F MC21176 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.166 O=[N+]([O-])C1=NC=C(Cl)C=C1Br MC108001 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.166 O=[N+]([O-])C1=NC=C(Cl)C=C1Cl MC106513 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.166 O=[N+]([O-])C1=NC=C(Cl)C=C1F CS15920 [0,2,0,0,0,0|2,0,0]=4 1512 B11R1.166 O=[N+]([O-])C1=NC=C(Cl)C=C1O CS17702 [0,2,0,0,0,0|2,0,0]=4 1513 B11R1.166 O=[N+]([O-])C1=NC=C(F)C=C1O MC430642 [0,2,0,0,0,0|2,0,0]=4 1514 B11R1.7 NCC(F)(F)C1=NC=CC=C1 MC104009 [0,2,0,0,0,0|1,0,1]=4 1515 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,2,0,0,0,0|1,0,1]=4 1516 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,2,0,0,0,0|2,0,0]=4 1518 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,2,0,0,0,0|0,0,0]=2 1520 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,2,0,0,0,0|1,0,0]=3 1521 B11R1.16 N#CCC(=O)C1=CC=CN=C1 MC425586 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,2,0,0,0,0|1,0,0]=3 1523 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [0,2,0,0,0,0|1,0,1]=4 1524 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,2,0,0,0,0|1,0,0]=3 1525 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,2,0,0,0,0|1,0,0]=3 1526 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,2,0,0,0,0|1,0,0]=3 1527 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,2,0,0,0,0|1,0,0]=3 1528 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS18168 [0,2,0,0,0,0|0,0,0]=2 1529 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,2,0,0,0,0|1,0,0]=3 1531 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,2,0,0,0,0|1,0,0]=3 1532 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,2,0,0,0,0|1,0,0]=3 1533 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,2,0,0,0,0|1,0,0]=3 1535 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,2,0,0,0,0|1,0,0]=3 1536 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,2,0,0,0,0|1,0,0]=3 1537 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [0,2,0,0,0,0|2,0,0]=4 1538 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [0,2,0,0,0,0|2,0,0]=4 1539 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,2,0,0,0,0|1,0,0]=3 1540 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,2,0,0,0,0|1,0,0]=3 1541 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,2,0,0,0,0|0,0,1]=3 1543 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,2,0,0,0,0|2,0,0]=4 1544 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,2,0,0,0,0|0,0,0]=2 1548 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [0,2,0,0,0,0|1,0,0]=3 1549 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [0,2,0,0,0,0|1,0,0]=3 1550 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,2,0,0,0,0|0,0,0]=2 1551 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,2,0,0,0,0|1,0,0]=3 1552 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,2,0,0,0,0|1,0,0]=3 1553 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,2,0,0,0,0|0,0,0]=2 1554 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [0,2,0,0,0,0|1,0,0]=3 1555 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [0,2,0,0,0,0|1,0,0]=3 1556 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,2,0,0,0,0|0,0,0]=2 1557 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,2,0,0,0,0|0,0,0]=2 1559 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [0,2,0,0,0,0|1,0,0]=3 1560 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,2,0,0,0,0|0,0,0]=2 1561 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,2,0,0,0,0|1,0,0]=3 1562 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,2,0,0,0,0|0,0,0]=2 1563 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [0,2,0,0,0,0|1,0,0]=3 1564 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,2,0,0,0,0|0,0,0]=2 1565 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,2,0,0,0,0|1,0,0]=3 1567 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,2,0,0,0,0|1,0,0]=3 1568 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 MC431210 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,2,0,0,0,0|1,0,0]=3 1570 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,2,0,0,0,0|1,0,0]=3 1571 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,2,0,0,0,0|1,0,0]=3 1572 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 MC20584 [0,2,0,0,0,0|2,0,0]=4 1573 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,2,0,0,0,0|1,0,0]=3 1574 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,2,0,0,0,0|1,0,0]=3 1575 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,2,0,0,0,0|1,0,0]=3 1577 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,2,0,0,0,0|1,0,0]=3 1578 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,2,0,0,0,0|1,0,0]=3 1579 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 CS22176 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.222 COC(=O)C1=C(C)C=NC=C1 MC121213 [0,2,0,0,0,0|2,0,0]=4 1581 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [0,2,0,0,0,0|2,0,0]=4 1582 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [0,2,0,0,0,0|2,0,0]=4 1583 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,2,0,0,0,0|1,0,0]=3 1584 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [0,2,0,0,0,0|2,0,0]=4 1585 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,2,0,0,0,0|1,0,0]=3 1586 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS22331 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,2,0,0,0,0|1,0,0]=3 1588 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,2,0,0,0,0|1,0,0]=3 1590 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [0,2,0,0,0,0|2,0,0]=4 1595 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [0,2,0,0,0,0|0,0,0]=2 1596 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [0,2,0,0,0,0|0,0,0]=2 1597 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [0,2,0,0,0,0|0,0,0]=2 1598 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [0,2,0,0,0,0|0,0,0]=2 1599 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,2,0,0,0,0|0,0,0]=2 1600 B11R1.222 COC(=O)C1=NC=CN=C1Br CS12415 [0,2,0,0,0,0|1,0,0]=3 1601 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS18208 [0,2,0,0,0,0|1,0,0]=3 1602 B11R1.222 COC(=O)C1=NC=CN=C1I MC103283 [0,2,0,0,0,0|1,0,0]=3 1603 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [0,2,0,0,0,0|1,0,0]=3 1604 B11R1.222 COC(=O)C1=NC=CN=C1O CS11607 [0,2,0,0,0,0|1,0,0]=3 1605 B11R1.222 COC(=O)C1=NC=NC=C1Br CS12520 [0,2,0,0,0,0|1,0,0]=3 1606 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,2,0,0,0,0|1,0,0]=3 1607 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 MC429401 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.222 NNC(=O)C1=NC=CN=C1N MC425577 [0,2,0,0,0,0|2,0,0]=4 1609 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,2,0,0,0,0|1,0,0]=3 1610 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,2,0,0,0,0|1,0,0]=3 1611 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.87 CC(C)(C)C1=NC=CC=C1O MC431053 [0,2,0,0,0,0|1,0,1]=4 1613 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 MC114477 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 MC106553 [0,2,0,0,0,0|1,0,1]=4 1615 B11R1.155 CC(C)(C)C1=CC=CC(O)=N1 MC429684 [0,2,0,0,0,0|1,0,1]=4 1616 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 MC33358 [0,2,0,0,0,0|1,0,1]=4 1617 B11R1.155 CC(C)(N)C1=NC(Br)=CC=C1 MC111294 [0,2,0,0,0,0|1,0,1]=4 1618 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 CS16576 [0,2,0,0,0,0|0,0,2]=4 1619 B11R1.155 CS(=O)(=O)C1=CC(Cl)=NC=N1 MC105752 [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=C1 CS10461 [0,2,0,0,0,0|2,0,0]=4 1621 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=N1 MC442239 [0,2,0,0,0,0|1,0,0]=3 1622 B11R1.155 CS(=O)(=O)C1=CC=CC(F)=C1 CS16715 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.155 CS(=O)(=O)C1=CC=CC(N)=C1 MC40930 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.155 CS(=O)(=O)C1=NC(Cl)=NC=C1 CS12705 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.155 CS(=O)(=O)C1=NC=CC(Br)=N1 CS12355 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.155 CS(=O)(=O)C1=NC=CC(Cl)=N1 CS22746 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.155 NS(=O)(=O)C1=NC(Br)=CC=C1 CS15352 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 CS16516 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [0,2,0,0,0,0|1,0,0]=3 1630 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [0,2,0,0,0,0|1,0,0]=3 1634 B11R1.53 COC1=C(C(C)=O)C=CN=C1 MC105760 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [0,2,0,0,0,0|1,0,0]=3 1637 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [0,2,0,0,0,0|0,0,0]=2 1638 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] CS19391 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [0,2,0,0,0,0|2,0,0]=4 1640 B11R1.53 COC1=NC=CN=C1C(=O)O CS16473 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 MC40261 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.53 N#CC1=CC=CN=C1C(=O)O MC103589 [0,2,0,0,0,0|1,0,0]=3 1643 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 CS16759 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 CS13542 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F CS13264 [0,2,0,0,0,0|1,0,0]=3 1646 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O CS15783 [0,2,0,0,0,0|1,0,0]=3 1647 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl MC41246 [0,2,0,0,0,0|1,0,0]=3 1648 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F MC41237 [0,2,0,0,0,0|1,0,0]=3 1649 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl MC432251 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.156 CC(=O)C1=C(F)C=CC=C1F CS18713 [0,2,0,0,0,0|1,0,0]=3 1651 B11R1.156 CC(=O)C1=C(F)C=CC=C1O CS19423 [0,2,0,0,0,0|1,0,0]=3 1652 B11R1.156 CC(=O)C1=C(O)C=CC=C1O CS21180 [0,2,0,0,0,0|1,0,0]=3 1653 B11R1.156 CC1=CC=CC(Br)=C1C(=O)O CS21386 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.156 CC1=CC=CC(C)=C1C(=O)O CS10891 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O CS20825 [0,2,0,0,0,0|2,0,0]=4 1656 B11R1.156 CC1=CC=CC(Cl)=C1C(N)=O MC41017 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.156 CC1=CC=CC(F)=C1C(=O)Cl MC433688 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.156 CC1=CC=CC(F)=C1C(=O)O CS21875 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.156 CC1=CC=CC(N)=C1C(=O)O CS20994 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.156 CC1=CC=CC(O)=C1C(=O)O CS21594 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.156 NC(=O)C1=C(Br)C=CC=C1F MC41011 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.156 NC(=O)C1=C(Cl)C=CC=C1F MC41015 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.156 NC(=O)C1=C(Cl)C=CC=C1I MC433798 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.156 NC(=O)C1=C(F)C=CC=C1F CS10343 [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.156 NC1=C(C(=O)O)C(Br)=CC=C1 CS13923 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 CS10413 [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.156 NC1=C(C(=O)O)C(F)=CC=C1 CS14367 [0,2,0,0,0,0|2,0,0]=4 1668 B11R1.156 NC1=C(C(=O)O)C(O)=CC=C1 CS15536 [0,2,0,0,0,0|2,0,0]=4 1669 B11R1.156 O=C(Cl)C1=C(Br)C=CC=C1F MC40443 [0,2,0,0,0,0|2,0,0]=4 1670 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl MC40463 [0,2,0,0,0,0|2,0,0]=4 1671 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1F MC40451 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1I MC40456 [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1F MC40467 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1I MC40475 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br MC40265 [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl CS19832 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F CS21839 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O MC442376 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl CS19900 [0,2,0,0,0,0|2,0,0]=4 1680 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1F CS19955 [0,2,0,0,0,0|2,0,0]=4 1681 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1O MC442377 [0,2,0,0,0,0|2,0,0]=4 1682 B11R1.156 O=C(O)C1=C(F)C=CC=C1F CS21799 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.156 O=C(O)C1=C(F)C=CC=C1I CS21556 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.156 O=C(O)C1=C(F)C=CC=C1O MC433134 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.156 O=C(O)C1=C(O)C=CC=C1O CS14109 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.156 O=C([O-])C1=C(Cl)C=CC=C1Cl MC40345 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.156 O=C([O-])C1=C(Cl)C=CC=C1F MC40341 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.156 O=C([O-])C1=C(F)C=CC=C1F MC40346 [0,2,0,0,0,0|2,0,0]=4 1689 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,2,0,0,0,0|1,0,0]=3 1690 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 CS21018 [0,2,0,0,0,0|1,0,0]=3 1691 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 MC41235 [0,2,0,0,0,0|1,0,0]=3 1692 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 MC20204 [0,2,0,0,0,0|1,0,0]=3 1693 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 MC31073 [0,2,0,0,0,0|1,0,0]=3 1694 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 MC442382 [0,2,0,0,0,0|1,0,0]=3 1695 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 MC443630 [0,2,0,0,0,0|1,0,0]=3 1696 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 CS20991 [0,2,0,0,0,0|1,0,0]=3 1697 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 CS20407 [0,2,0,0,0,0|1,0,0]=3 1698 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,2,0,0,0,0|1,0,0]=3 1699 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 CS10781 [0,2,0,0,0,0|1,0,0]=3 1700 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 CS15701 [0,2,0,0,0,0|1,0,0]=3 1701 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 CS20939 [0,2,0,0,0,0|1,0,0]=3 1702 B11R1.159 CC(=O)c1cccc(Br)c1N MC433201 [0,2,0,0,0,0|1,0,0]=3 1703 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O CS17097 [0,2,0,0,0,0|1,0,0]=3 1704 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Br MC40446 [0,2,0,0,0,0|2,0,0]=4 1705 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br CS10774 [0,2,0,0,0,0|2,0,0]=4 1706 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl CS22209 [0,2,0,0,0,0|2,0,0]=4 1707 B11R1.159 CC1=C(C(=O)O)C=CC=C1F CS20846 [0,2,0,0,0,0|2,0,0]=4 1708 B11R1.159 CC1=C(C(=O)O)C=CC=C1I MC20967 [0,2,0,0,0,0|2,0,0]=4 1709 B11R1.159 CC1=C(C(=O)O)C=CC=C1N CS20997 [0,2,0,0,0,0|2,0,0]=4 1710 B11R1.159 CC1=C(C(=O)O)C=CC=C1O CS20942 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.159 CC1=C(C(N)=O)C=CC=C1F MC41022 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O MC442698 [0,2,0,0,0,0|1,0,0]=3 1713 B11R1.159 CC1=C(O)C([N+](=O)[O-])=NC=C1 CS14394 [0,2,0,0,0,0|2,0,0]=4 1714 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C MC433669 [0,2,0,0,0,0|2,0,0]=4 1715 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br CS10769 [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CS21867 [0,2,0,0,0,0|2,0,0]=4 1718 B11R1.159 CC1=CC=CC(C(=O)O)=C1I CS21611 [0,2,0,0,0,0|2,0,0]=4 1719 B11R1.159 CC1=CC=CC(C(=O)O)=C1N CS21804 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.159 CC1=CC=CC(C(=O)O)=C1O CS16085 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 CS15497 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.159 NC(=O)C1=C(N)C(F)=CC=C1 MC433796 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 CS10963 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.159 NC1=C(Br)C=CN=C1[N+](=O)[O-] MC431802 [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br CS20178 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl CS20200 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.159 NC1=C(C(=O)O)C=CC=C1F CS10428 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.159 NC1=C(C(=O)O)C=CC=C1I CS14916 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.159 NC1=C(C(=O)O)C=CC=C1O CS20329 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.159 NC1=C(Cl)C(C(=O)O)=NC=C1 MC429875 [0,2,0,0,0,0|1,0,0]=3 1731 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl CS18598 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.159 NC1=CC=CC(C(=O)O)=C1F CS20007 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.159 NC1=CC=CC(C(=O)O)=C1N CS13398 [0,2,0,0,0,0|2,0,0]=4 1734 B11R1.159 NC1=CC=CC(C(=O)O)=C1O CS20331 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.159 O=C(Cl)C1=C(F)C(Br)=CC=C1 MC433605 [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.159 O=C(Cl)C1=C(F)C(Cl)=CC=C1 MC40452 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 CS14427 [0,2,0,0,0,0|2,0,0]=4 1738 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 MC429659 [0,2,0,0,0,0|2,0,0]=4 1739 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 MC433592 [0,2,0,0,0,0|2,0,0]=4 1740 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 CS21833 [0,2,0,0,0,0|2,0,0]=4 1741 B11R1.159 O=C(O)C1=C(Br)C(O)=CC=C1 MC442312 [0,2,0,0,0,0|2,0,0]=4 1742 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 CS14400 [0,2,0,0,0,0|2,0,0]=4 1743 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 MC433645 [0,2,0,0,0,0|2,0,0]=4 1744 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 CS19950 [0,2,0,0,0,0|2,0,0]=4 1745 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 CS14808 [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CS21913 [0,2,0,0,0,0|2,0,0]=4 1747 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 CS19960 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 MC30136 [0,2,0,0,0,0|2,0,0]=4 1749 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 CS12733 [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 MC20266 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.159 O=C(O)C1=C(I)C(Cl)=CC=C1 CS15350 [0,2,0,0,0,0|2,0,0]=4 1752 B11R1.159 O=C(O)C1=C(I)C(F)=CC=C1 CS14251 [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.159 O=C(O)C1=C(I)C(O)=CC=C1 MC442215 [0,2,0,0,0,0|2,0,0]=4 1754 B11R1.159 O=C(O)C1=C(O)C(=O)C=CO1 MC111676 [0,2,0,0,0,0|2,0,0]=4 1755 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 CS19729 [0,2,0,0,0,0|2,0,0]=4 1756 B11R1.159 O=C(O)C1=C(O)C(Cl)=CC=C1 CS22246 [0,2,0,0,0,0|2,0,0]=4 1757 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 CS10372 [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 MC20146 [0,2,0,0,0,0|2,0,0]=4 1759 B11R1.159 O=C(O)C1=NC=CC(Br)=C1F MC432492 [0,2,0,0,0,0|1,0,0]=3 1760 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl MC442436 [0,2,0,0,0,0|1,0,0]=3 1761 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F MC431600 [0,2,0,0,0,0|1,0,0]=3 1762 B11R1.159 O=C([O-])C1=C(Cl)C(F)=CC=C1 MC40340 [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.167 C=C(C)C1=C(Cl)C=CC(Br)=C1 MC111656 [0,2,0,0,0,0|2,0,0]=4 1764 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 CS14948 [0,2,0,0,0,0|1,0,0]=3 1765 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 MC10476 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [0,2,0,0,0,0|1,0,0]=3 1767 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 MC33032 [0,2,0,0,0,0|1,0,0]=3 1768 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS21139 [0,2,0,0,0,0|1,0,0]=3 1769 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 CS10721 [0,2,0,0,0,0|1,0,0]=3 1770 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS12150 [0,2,0,0,0,0|1,0,0]=3 1771 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,2,0,0,0,0|1,0,0]=3 1772 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 CS18839 [0,2,0,0,0,0|1,0,0]=3 1773 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 MC41223 [0,2,0,0,0,0|1,0,0]=3 1774 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 MC442384 [0,2,0,0,0,0|1,0,0]=3 1775 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 MC10366 [0,2,0,0,0,0|1,0,0]=3 1776 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 CS12985 [0,2,0,0,0,0|1,0,0]=3 1777 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 CS12192 [0,2,0,0,0,0|1,0,0]=3 1778 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS15935 [0,2,0,0,0,0|1,0,0]=3 1779 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 MC10135 [0,2,0,0,0,0|1,0,0]=3 1780 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS13715 [0,2,0,0,0,0|1,0,0]=3 1781 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS20840 [0,2,0,0,0,0|1,0,0]=3 1782 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 MC33295 [0,2,0,0,0,0|1,0,0]=3 1783 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 CS19932 [0,2,0,0,0,0|1,0,0]=3 1784 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F MC425594 [0,2,0,0,0,0|2,0,0]=4 1785 B11R1.167 CC(=O)C1=NC(C)=CC=C1C MC111076 [0,2,0,0,0,0|0,0,0]=2 1786 B11R1.167 CC(=O)C1=NC(Cl)=CC=C1Cl MC106299 [0,2,0,0,0,0|0,0,0]=2 1787 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C CS15957 [0,2,0,0,0,0|1,0,0]=3 1788 B11R1.167 CC1=C(C(=O)Cl)C=C(F)C=C1 MC428342 [0,2,0,0,0,0|2,0,0]=4 1789 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 CS20805 [0,2,0,0,0,0|2,0,0]=4 1790 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 CS10331 [0,2,0,0,0,0|2,0,0]=4 1791 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 CS22055 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 CS14966 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 CS21678 [0,2,0,0,0,0|2,0,0]=4 1794 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CS10400 [0,2,0,0,0,0|2,0,0]=4 1795 B11R1.167 CC1=C(C(=O)[O-])C=C(F)C=C1 MC30018 [0,2,0,0,0,0|2,0,0]=4 1796 B11R1.167 CC1=CC(C(=O)Cl)=C(F)C=C1 MC40479 [0,2,0,0,0,0|2,0,0]=4 1797 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS10772 [0,2,0,0,0,0|2,0,0]=4 1798 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS21075 [0,2,0,0,0,0|2,0,0]=4 1799 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS19779 [0,2,0,0,0,0|2,0,0]=4 1800 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 MC40284 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 CS21612 [0,2,0,0,0,0|2,0,0]=4 1802 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS20992 [0,2,0,0,0,0|2,0,0]=4 1803 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 CS14304 [0,2,0,0,0,0|2,0,0]=4 1804 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 MC111079 [0,2,0,0,0,0|1,0,0]=3 1805 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [0,2,0,0,0,0|1,0,0]=3 1806 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 MC431567 [0,2,0,0,0,0|1,0,0]=3 1807 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 MC443687 [0,2,0,0,0,0|1,0,0]=3 1808 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=N1 MC33347 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.167 CC1=CC=C(O)N=C1C(=O)O MC427108 [0,2,0,0,0,0|1,0,0]=3 1810 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [0,2,0,0,0,0|2,0,0]=4 1811 B11R1.167 CC1=CN=C(Cl)N=C1C(=O)O MC115904 [0,2,0,0,0,0|2,0,0]=4 1812 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 CS19714 [0,2,0,0,0,0|2,0,0]=4 1813 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 MC444393 [0,2,0,0,0,0|2,0,0]=4 1814 B11R1.167 NC(=O)C1=C(Br)C=CC(F)=C1 MC430722 [0,2,0,0,0,0|2,0,0]=4 1815 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=C1 CS21271 [0,2,0,0,0,0|2,0,0]=4 1816 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=C1 MC20679 [0,2,0,0,0,0|2,0,0]=4 1817 B11R1.167 NC(=O)C1=C(N)C=CC(F)=C1 MC41008 [0,2,0,0,0,0|2,0,0]=4 1818 B11R1.167 NC(=O)C1=C(O)C=CC(F)=C1 MC106125 [0,2,0,0,0,0|2,0,0]=4 1819 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1O CS15710 [0,2,0,0,0,0|2,0,0]=4 1820 B11R1.167 NC(=O)C1=NC(Br)=CC=C1F MC431838 [0,2,0,0,0,0|1,0,0]=3 1821 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O MC106772 [0,2,0,0,0,0|2,0,0]=4 1822 B11R1.167 NC(=O)C1=NC(Cl)=CC=C1N MC10412 [0,2,0,0,0,0|1,0,0]=3 1823 B11R1.167 NC(=O)C1=NC(I)=CN=C1N MC114709 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 CS20261 [0,2,0,0,0,0|2,0,0]=4 1825 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 CS20202 [0,2,0,0,0,0|2,0,0]=4 1826 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 CS21817 [0,2,0,0,0,0|2,0,0]=4 1827 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 CS20231 [0,2,0,0,0,0|2,0,0]=4 1828 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 CS18210 [0,2,0,0,0,0|2,0,0]=4 1829 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 CS20208 [0,2,0,0,0,0|2,0,0]=4 1830 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 MC30241 [0,2,0,0,0,0|2,0,0]=4 1831 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 CS16234 [0,2,0,0,0,0|2,0,0]=4 1832 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O MC427091 [0,2,0,0,0,0|1,0,0]=3 1833 B11R1.167 NC1=CC=C(Br)N=C1[N+](=O)[O-] CS17780 [0,2,0,0,0,0|2,0,0]=4 1834 B11R1.167 NC1=NC=C(Br)N=C1C(=O)O CS22088 [0,2,0,0,0,0|2,0,0]=4 1835 B11R1.167 NC1=NC=C(Cl)C(C(=O)O)=N1 CS17503 [0,2,0,0,0,0|2,0,0]=4 1836 B11R1.167 NC1=NC=C(Cl)N=C1C(=O)O CS12627 [0,2,0,0,0,0|2,0,0]=4 1837 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(Br)=C1 MC40442 [0,2,0,0,0,0|2,0,0]=4 1838 B11R1.167 O=C(Cl)C1=C(F)C=CC(Cl)=C1 MC40455 [0,2,0,0,0,0|2,0,0]=4 1839 B11R1.167 O=C(Cl)C1=C(F)C=CC(F)=C1 MC40466 [0,2,0,0,0,0|2,0,0]=4 1840 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 CS19808 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 CS19830 [0,2,0,0,0,0|2,0,0]=4 1842 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 CS19846 [0,2,0,0,0,0|2,0,0]=4 1843 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 MC433609 [0,2,0,0,0,0|2,0,0]=4 1844 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 CS10221 [0,2,0,0,0,0|2,0,0]=4 1845 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 CS19898 [0,2,0,0,0,0|2,0,0]=4 1846 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 MC429399 [0,2,0,0,0,0|2,0,0]=4 1847 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 MC433624 [0,2,0,0,0,0|2,0,0]=4 1848 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 CS21466 [0,2,0,0,0,0|2,0,0]=4 1849 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 CS22027 [0,2,0,0,0,0|2,0,0]=4 1850 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 MC40254 [0,2,0,0,0,0|2,0,0]=4 1851 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 MC31113 [0,2,0,0,0,0|2,0,0]=4 1852 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 CS20031 [0,2,0,0,0,0|2,0,0]=4 1853 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 CS10371 [0,2,0,0,0,0|2,0,0]=4 1854 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 CS10237 [0,2,0,0,0,0|2,0,0]=4 1855 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 MC40257 [0,2,0,0,0,0|2,0,0]=4 1856 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 CS14765 [0,2,0,0,0,0|2,0,0]=4 1857 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 MC433663 [0,2,0,0,0,0|2,0,0]=4 1858 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 CS16232 [0,2,0,0,0,0|2,0,0]=4 1859 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 CS14141 [0,2,0,0,0,0|2,0,0]=4 1860 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 CS10374 [0,2,0,0,0,0|2,0,0]=4 1861 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 MC115165 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br MC442809 [0,2,0,0,0,0|1,0,0]=3 1863 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Cl MC33514 [0,2,0,0,0,0|1,0,0]=3 1864 B11R1.167 O=C(O)C1=NC(Br)=CC=C1F MC429615 [0,2,0,0,0,0|1,0,0]=3 1865 B11R1.167 O=C(O)C1=NC(Br)=CC=C1O CS12800 [0,2,0,0,0,0|1,0,0]=3 1866 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br MC441246 [0,2,0,0,0,0|2,0,0]=4 1867 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br CS13146 [0,2,0,0,0,0|1,0,0]=3 1868 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl CS18671 [0,2,0,0,0,0|1,0,0]=3 1869 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F MC20813 [0,2,0,0,0,0|1,0,0]=3 1870 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br CS16934 [0,2,0,0,0,0|2,0,0]=4 1871 B11R1.167 O=C(O)C1=NC(Cl)=NC=C1Cl MC430455 [0,2,0,0,0,0|2,0,0]=4 1872 B11R1.167 O=C(O)C1=NC(F)=NC=C1Cl MC430454 [0,2,0,0,0,0|2,0,0]=4 1873 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl CS16420 [0,2,0,0,0,0|1,0,0]=3 1874 B11R1.167 O=C([O-])C1=C(Cl)C=CC(Cl)=C1 MC40344 [0,2,0,0,0,0|2,0,0]=4 1875 B11R1.167 O=C([O-])C1=C(F)C=CC(F)=C1 MC30171 [0,2,0,0,0,0|2,0,0]=4 1876 B11R1.167 O=[N+]([O-])C1=NC(Br)=CC=C1Cl MC108002 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.167 O=[N+]([O-])C1=NC(Br)=CC=C1O CS14428 [0,2,0,0,0,0|2,0,0]=4 1878 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 MC111196 [0,2,0,0,0,0|1,0,0]=3 1879 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,2,0,0,0,0|1,0,0]=3 1880 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,2,0,0,0,0|1,0,0]=3 1881 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,2,0,0,0,0|1,0,0]=3 1882 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 MC30105 [0,2,0,0,0,0|1,0,0]=3 1883 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,2,0,0,0,0|0,0,0]=2 1884 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 MC427325 [0,2,0,0,0,0|0,0,0]=2 1885 B11R1.74 CC(=O)c1cc(Br)cc(Br)c1 MC433229 [0,2,0,0,0,0|1,0,0]=3 1886 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,2,0,0,0,0|2,0,0]=4 1887 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,2,0,0,0,0|2,0,0]=4 1888 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,2,0,0,0,0|2,0,0]=4 1889 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,2,0,0,0,0|2,0,0]=4 1890 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,2,0,0,0,0|1,0,0]=3 1891 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,2,0,0,0,0|1,0,0]=3 1892 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 MC20749 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,2,0,0,0,0|2,0,0]=4 1894 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,2,0,0,0,0|2,0,0]=4 1895 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,2,0,0,0,0|1,0,0]=3 1896 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,2,0,0,0,0|2,0,0]=4 1897 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 MC432042 [0,2,0,0,0,0|2,0,0]=4 1898 B11R1.74 NC(=O)C1=CC(Cl)=CC(F)=C1 MC41016 [0,2,0,0,0,0|2,0,0]=4 1899 B11R1.74 NC(=O)C1=NC(Cl)=CC(Cl)=C1 MC106128 [0,2,0,0,0,0|1,0,0]=3 1900 B11R1.74 NC(=O)C1=NC(Cl)=NC(N)=C1 MC425277 [0,2,0,0,0,0|2,0,0]=4 1901 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 CS22075 [0,2,0,0,0,0|2,0,0]=4 1902 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 MC33509 [0,2,0,0,0,0|1,0,0]=3 1903 B11R1.74 NC1=CC(C(=O)O)=NC(Cl)=C1 MC33512 [0,2,0,0,0,0|1,0,0]=3 1904 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 CS10981 [0,2,0,0,0,0|2,0,0]=4 1905 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 MC433642 [0,2,0,0,0,0|2,0,0]=4 1906 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 CS22078 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 MC40441 [0,2,0,0,0,0|2,0,0]=4 1908 B11R1.74 O=C(Cl)C1=CC(Cl)=CC(F)=C1 MC40453 [0,2,0,0,0,0|2,0,0]=4 1909 B11R1.74 O=C(Cl)C1=CC(F)=CC(F)=C1 MC40468 [0,2,0,0,0,0|2,0,0]=4 1910 B11R1.74 O=C(Cl)C1=NC(Cl)=CC(Cl)=C1 MC106018 [0,2,0,0,0,0|1,0,0]=3 1911 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CS19812 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 CS12668 [0,2,0,0,0,0|2,0,0]=4 1913 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 CS21917 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 MC20185 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 MC40243 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 CS14664 [0,2,0,0,0,0|2,0,0]=4 1917 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 MC33092 [0,2,0,0,0,0|2,0,0]=4 1918 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 CS22224 [0,2,0,0,0,0|2,0,0]=4 1919 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 MC30103 [0,2,0,0,0,0|2,0,0]=4 1920 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 MC433681 [0,2,0,0,0,0|2,0,0]=4 1921 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 CS14447 [0,2,0,0,0,0|2,0,0]=4 1922 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 MC433664 [0,2,0,0,0,0|2,0,0]=4 1923 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 MC442504 [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 MC20481 [0,2,0,0,0,0|2,0,0]=4 1925 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 MC442155 [0,2,0,0,0,0|1,0,0]=3 1926 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 MC431198 [0,2,0,0,0,0|1,0,0]=3 1927 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 CS17530 [0,2,0,0,0,0|1,0,0]=3 1928 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 CS22506 [0,2,0,0,0,0|1,0,0]=3 1929 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 MC430246 [0,2,0,0,0,0|2,0,0]=4 1930 B11R1.74 O=C(O)C1=NC(Cl)=CC(F)=C1 MC431621 [0,2,0,0,0,0|1,0,0]=3 1931 B11R1.74 O=C(O)C1=NC(F)=CC(Br)=C1 MC431181 [0,2,0,0,0,0|1,0,0]=3 1932 B11R1.74 O=C([O-])C1=CC(F)=CC(F)=C1 MC30104 [0,2,0,0,0,0|2,0,0]=4 1933 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(Cl)=N1 CS14374 [0,2,0,0,0,0|2,0,0]=4 1934 B11R1.266 CC(=O)C1=CC(C#N)=CN=C1 MC430333 [0,2,0,0,0,0|2,0,0]=4 1935 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,2,0,0,0,0|1,0,0]=3 1936 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,2,0,0,0,0|1,0,0]=3 1937 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 MC103606 [0,2,0,0,0,0|1,0,1]=4 1938 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 MC104284 [0,2,0,0,0,0|2,0,0]=4 1939 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [0,2,0,0,0,0|1,0,0]=3 1940 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [0,2,0,0,0,0|1,0,0]=3 1941 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [0,2,0,0,0,0|1,0,0]=3 1942 B11R1.266 COC1=CC(C(=O)O)=NC=N1 MC441129 [0,2,0,0,0,0|2,0,0]=4 1943 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,2,0,0,0,0|0,0,0]=2 1944 B11R1.266 COC1=CC(C(C)N)=NC=C1 MC112203 [0,2,0,0,0,0|1,0,1]=4 1945 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [0,2,0,0,0,0|2,0,0]=4 1946 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,2,0,0,0,0|2,0,0]=4 1947 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,2,0,0,0,0|1,0,0]=3 1948 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,2,0,0,0,0|2,0,0]=4 1949 B11R1.266 COC1=CN=NC(C(=O)O)=C1 MC116095 [0,2,0,0,0,0|2,0,0]=4 1950 B11R1.266 COC1=NC=CC(C(=O)O)=N1 MC441255 [0,2,0,0,0,0|2,0,0]=4 1951 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 CS19819 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 CS14547 [0,2,0,0,0,0|1,0,0]=3 1953 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 MC20560 [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 MC433634 [0,2,0,0,0,0|2,0,0]=4 1955 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 CS14616 [0,2,0,0,0,0|1,0,0]=3 1956 B11R1.266 NC(=O)C1=CC(CBr)=CC=C1 CS16760 [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 MC434007 [0,2,0,0,0,0|1,0,0]=3 1958 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [0,2,0,0,0,0|2,0,0]=4 1959 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 MC40457 [0,2,0,0,0,0|2,0,0]=4 1960 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [0,2,0,0,0,0|2,0,0]=4 1961 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [0,2,0,0,0,0|2,0,0]=4 1962 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [0,2,0,0,0,0|1,0,0]=3 1963 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 CS21920 [0,2,0,0,0,0|2,0,0]=4 1964 B9R1.5 O=C1C=CC=CC=C1O MC20359 [0,0,1,1,0,0|1,0,1]=4 1965 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [1,0,0,1,0,0|1,0,1]=4 1966 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [0,0,0,1,0,1|2,0,0]=4 1967 B11R2.10 CC1=CC2=C(N=CN=C2)N1 MC444432 [0,0,0,1,0,1|2,0,0]=4 1968 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,1,0,1|2,0,0]=4 1969 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [0,0,0,1,0,1|2,0,0]=4 1970 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [0,0,0,1,0,1|1,0,0]=3 1971 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [0,0,0,1,0,1|1,0,0]=3 1972 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [0,0,0,1,0,1|1,0,1]=4 1973 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [0,0,0,1,0,1|2,0,0]=4 1974 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [0,0,0,1,0,1|1,0,1]=4 1975 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [0,0,0,1,0,1|1,1,0]=4 1976 B11R2.10 CC1=NC2=NC=CC=C2N1 CS21659 [0,0,0,1,0,1|1,0,0]=3 1977 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [0,0,0,1,0,1|0,0,1]=3 1978 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [0,0,0,1,0,1|2,0,0]=4 1979 B11R2.10 ClC1=NC2=CC=CN=C2S1 CS16822 [0,0,0,1,0,1|2,0,0]=4 1980 B11R2.10 ClC1=NC2=NC=CC=C2N1 CS15218 [0,0,0,1,0,1|2,0,0]=4 1981 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [0,0,0,1,0,1|1,0,1]=4 1982 B11R2.10 ClC1=NC2=NC=CC=C2S1 CS13069 [0,0,0,1,0,1|1,1,0]=4 1983 B11R2.10 IC1=CC2=CC=CN=C2N1 CS15616 [0,0,0,1,0,1|1,0,1]=4 1984 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [0,0,0,1,0,1|2,0,0]=4 1985 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [0,0,0,1,0,1|2,0,0]=4 1986 B11R2.10 NC1=NC2=NC=CC=C2N1 MC442531 [0,0,0,1,0,1|2,0,0]=4 1987 B11R2.10 NC1=NC2=NC=CC=C2S1 CS15266 [0,0,0,1,0,1|1,1,0]=4 1988 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,1,0,1|1,0,0]=3 1989 B11R2.10 O=C1CC2=C(N=CN=C2)N1 MC101998 [0,0,0,1,0,1|1,0,0]=3 1990 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,1,0,1|1,0,0]=3 1991 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,1,0,1|1,0,0]=3 1992 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,1,0,1|2,0,0]=4 1993 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,1,0,1|1,0,0]=3 1994 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,1,0,1|0,0,1]=3 1995 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [0,0,0,1,0,1|2,0,0]=4 1996 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [0,0,0,1,0,1|1,0,0]=3 1997 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [0,0,0,1,0,1|1,0,0]=3 1998 B11R2.10 O=C1NC2=NC=CN=C2N1 MC116441 [0,0,0,1,0,1|2,0,0]=4 1999 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [0,0,0,1,0,1|2,0,0]=4 2000 B11R2.1 BrC1=CNC2=CC=CN=C12 CS13195 [0,1,0,1,0,0|1,0,1]=4 2001 B11R2.1 BrC1=CSC2=CC=CN=C12 MC103962 [0,1,0,1,0,0|1,0,1]=4 2002 B11R2.1 BrC1=NNC2=CC=CN=C21 CS12243 [0,1,0,1,0,0|2,0,0]=4 2003 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,1,0,1,0,0|2,0,0]=4 2004 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,1,0,1,0,0|2,0,0]=4 2005 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,1,0,1,0,0|1,0,1]=4 2006 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,1,0,1,0,0|2,0,0]=4 2007 B11R2.1 CC1=NNC2=CC=CN=C21 MC442333 [0,1,0,1,0,0|1,0,0]=3 2008 B11R2.1 CC1=NNC2=NC=CN=C12 MC442345 [0,1,0,1,0,0|2,0,0]=4 2009 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,1,0,1,0,0|1,0,1]=4 2010 B11R2.1 CN1C=CC2=CC=CN=C21 CS20755 [0,1,0,1,0,0|2,0,0]=4 2011 B11R2.1 IC1=CNC2=CC=CN=C12 CS15332 [0,1,0,1,0,0|1,0,1]=4 2012 B11R2.1 IC1=NNC2=CC=CN=C21 MC442332 [0,1,0,1,0,0|2,0,0]=4 2013 B11R2.1 NC1=CNC2=CC=CN=C12 MC102979 [0,1,0,1,0,0|1,0,1]=4 2014 B11R2.1 NC1=NOC2=CC=CN=C21 CS12630 [0,1,0,1,0,0|1,0,1]=4 2015 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,1,0,1,0,0|1,0,0]=3 2016 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,1,0,1,0,0|0,0,0]=2 2017 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,1,0,1,0,0|2,0,0]=4 2018 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,1,0,1,0,0|1,0,0]=3 2019 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,1,0,1,0,0|0,0,0]=2 2020 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,1,0,1,0,0|2,0,0]=4 2021 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,1,0,1,0,0|1,0,0]=3 2022 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,1,0,1,0,0|1,0,0]=3 2023 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [0,1,0,1,0,0|2,0,0]=4 2024 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [0,1,0,1,0,0|1,0,0]=3 2025 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [0,1,0,1,0,0|2,0,0]=4 2026 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,1,0,1,0,0|1,0,0]=3 2027 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,1,0,1,0,0|2,0,0]=4 2028 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [0,1,0,1,0,0|2,0,0]=4 2029 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,1,0,1,0,0|0,0,2]=4 2030 B11R2.40 BrC1(C2=NC=CC=C2)CC1 MC431657 [0,1,0,1,0,0|1,0,1]=4 2031 B11R2.40 NC1(C2=NC=CC=C2)CC1 MC115574 [0,1,0,1,0,0|1,0,1]=4 2032 B11R2.35 BrC1=NC(C2CC2)=CC=C1 MC442245 [0,1,0,1,0,0|1,0,1]=4 2033 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,1,0|1,0,1]=4 2034 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,1,0|1,0,1]=4 2035 B7R1.1 CNC1=NC=CS1 CS12598 [1,0,0,0,1,0|2,0,0]=4 2036 B7R1.1 COC1=CSC=C1 CS22351 [1,0,0,0,1,0|2,0,0]=4 2037 B7R1.1 COC1=NC=CS1 CS22597 [1,0,0,0,1,0|2,0,0]=4 2038 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,1,0|2,0,0]=4 2039 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,1,0|0,0,1]=3 2040 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,1,0|0,0,1]=3 2041 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,1,0|1,0,0]=3 2042 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,1,0|1,0,0]=3 2043 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,1,0|2,0,0]=4 2044 B7R1.1 O=CC1=CN=CS1 CS15582 [1,0,0,0,1,0|2,0,0]=4 2045 B7R1.1 O=CC1=CNC=C1 CS20728 [1,0,0,0,1,0|1,0,0]=3 2046 B7R1.1 O=CC1=CNC=N1 CS14113 [1,0,0,0,1,0|1,0,0]=3 2047 B7R1.1 O=CC1=CNN=C1 CS17644 [1,0,0,0,1,0|2,0,0]=4 2048 B7R1.1 O=CC1=CNN=C1 CS18258 [1,0,0,0,1,0|2,0,0]=4 2049 B7R1.1 O=CC1=CNN=N1 MC114304 [1,0,0,0,1,0|2,0,0]=4 2050 B7R1.1 O=CC1=CSC=C1 CS14553 [1,0,0,0,1,0|1,0,0]=3 2051 B7R1.1 O=CC1=CSC=N1 MC33021 [1,0,0,0,1,0|1,0,0]=3 2052 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,0,1,0|1,0,0]=3 2053 B7R1.1 O=CC1=NNC=C1 CS18284 [1,0,0,0,1,0|1,0,0]=3 2054 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,2|1,0,0]=3 2055 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,2|2,0,0]=4 2056 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,0,2|2,0,0]=4 2057 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,0,0,0,2|2,0,0]=4 2058 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,0,2|2,0,0]=4 2059 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,0,0,0,0,2|2,0,0]=4 2060 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,0,2|2,0,0]=4 2061 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,0,0,0,2|2,0,0]=4