0 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,0,0|1,0,2]=3 29 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.6 CN(C)C1=CN=CN=C1 MC442270 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 FC(F)C1=CC=CN=C1 MC429164 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 N=C(N)C1=NC=CC=N1 CS21214 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.6 NC(=S)C1=CC=CN=N1 CS16975 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,0,0,0,0|1,0,0]=1 55 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [0,0,0,0,0,0|3,0,1]=4 60 B8R1.2 BrCC1=NC=CN=C1 MC115921 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.2 Br[Mg]c1cccnc1 MC121318 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 Br[Zn]c1ccccn1 MC121328 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 Br[Zn]c1cccnc1 MC121329 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 C#CC1=NC=CC=C1 CS21539 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.2 C#CC1=NC=CN=C1 MC104763 [1,0,0,0,0,0|0,0,2]=3 66 B8R1.2 CCC1=CC=CC=C1 MC41556 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 CCC1=CC=CN=C1 CS22277 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.2 CCC1=NC=CN=C1 CS21534 [1,0,0,0,0,0|0,0,1]=2 69 B8R1.2 CNC1=CC=CC=C1 CS11792 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 CNC1=CC=CN=C1 CS13856 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 COC1=CC=CC=C1 MC41309 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 COC1=CC=CN=C1 CS22348 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 COC1=CC=CN=N1 CS22347 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 COC1=CN=CN=C1 MC428182 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 COC1=CN=NC=C1 MC427243 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 COC1=NC=CC=C1 CS18780 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 COC1=NC=CN=C1 CS17887 [1,0,0,0,0,0|1,0,0]=2 78 B8R1.2 CSC1=CC=CC=C1 MC439137 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 CSC1=NC=CC=C1 MC41628 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 ClCC1=CC=CN=C1 CS19291 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.2 ClCC1=NC=CC=C1 CS19289 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.2 ClCC1=NC=CN=C1 MC444156 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.2 ICC1=CC=CN=C1 MC430640 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.2 N#CC1=CN=CC=C1 CS22263 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 N#CC1=NC=CC=C1 CS19642 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 N#CC1=NC=CN=C1 CS17380 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.2 NCC1=CC=CN=C1 CS14226 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 NCC1=NC=CN=C1 CS19691 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 NCC1=NC=CN=C1 CS20245 [1,0,0,0,0,0|1,0,1]=3 90 B8R1.2 NNC1=CC=CN=C1 CS15491 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 NNC1=CC=CN=C1 CS22308 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 NNC1=NC=CC=C1 CS15589 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 NNC1=NC=CC=C1 CS21573 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NNC1=NC=CN=C1 MC444188 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 O=CC1=CC=CN=N1 MC121079 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.2 O=CC1=CN=CC=C1 CS19090 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.2 O=CC1=CN=CN=C1 CS19643 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.2 O=CC1=CN=NC=C1 MC444362 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.2 O=CC1=NC=CC=C1 CS18610 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.2 O=CC1=NC=CC=N1 MC444571 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.2 O=CC1=NC=CN=C1 CS18375 [1,0,0,0,0,0|0,0,0]=1 102 B8R1.2 O=NC1=CC=CC=C1 MC33163 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 OCC1=CC=CN=C1 CS22409 [1,0,0,0,0,0|1,0,2]=4 104 B8R1.2 OCC1=NC=CC=C1 CS19164 [1,0,0,0,0,0|1,0,2]=4 105 B8R1.2 OCC1=NC=CN=C1 CS21749 [1,0,0,0,0,0|0,0,2]=3 106 B8R1.2 SCC1=NC=CN=C1 MC110936 [1,0,0,0,0,0|0,1,1]=3 107 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,0,0|0,0,0]=1 128 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 CN(C)C1=CC=C(Br)N=C1 CS17769 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.13 CN(C)C1=NC=C(Br)N=C1 CS17460 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 CS14439 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 CS15436 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 NC1=CC=C([N+](=O)[O-])N=C1 CS10210 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 CS17743 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS18270 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.13 O=[N+]([O-])C1=CC=C(F)N=C1 CS14463 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 CS19719 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 MC20011 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 MC105738 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 CS17320 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 CS22717 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 CS17285 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 CS17336 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 CS20058 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [0,1,0,0,0,0|1,0,2]=4 234 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.15 NNC(=O)C1=NC=CN=C1 CS18472 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [0,1,0,0,0,0|1,0,2]=4 246 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 CS14803 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [0,1,0,0,0,0|1,0,2]=4 250 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 MC445195 [0,1,0,0,0,0|2,1,0]=4 252 B10R1.28 NS(=O)(=O)C1=CC=CN=C1 CS22410 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.28 O=S(=O)(Cl)C1=CC=CN=C1 CS14837 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.28 O=S(=O)(Cl)C1=CC=CN=C1 MC426024 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.28 O=S(=O)(Cl)C1=CC=CN=C1 MC427377 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 CS15426 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,0,0|1,0,0]=2 267 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,1,0,0,0,0|0,0,0]=1 275 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,1,0,0,0,0|0,0,0]=1 276 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 CC1=C(C(=O)O)C=CN=N1 MC104787 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 CS19156 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.61 CC1=CN=NC=C1C(=O)O MC101944 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] MC10428 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.61 CN(C)C1=NC=CN=C1N CS21223 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.61 N=C(N)C1=NC=CC=C1F MC107335 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.61 NC(=O)C1=NC=CN=C1Cl CS15991 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.61 NC(=O)C1=NC=CN=C1N CS14571 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.61 NC1=C(C(=O)O)C=CN=N1 CS18162 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 CS22750 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.61 NC1=CC=CN=C1[N+](=O)[O-] CS22747 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.61 NC1=NC=CC=C1[N+](=O)[O-] CS22745 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.61 O=C(O)C1=CN=CN=C1O CS12936 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [0,1,0,0,0,0|1,0,0]=2 340 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [0,1,0,0,0,0|1,0,0]=2 341 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [0,1,0,0,0,0|1,0,0]=2 342 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,1,0,0,0,0|1,0,0]=2 343 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.61 O=[N+]([O-])C1=C(Br)C=CN=C1 MC430593 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 CS17329 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 CS22718 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br CS22674 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl CS21845 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.61 O=[N+]([O-])C1=CC=CN=C1F CS13731 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.61 O=[N+]([O-])C1=CC=CN=C1I MC427246 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O CS21876 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Br CS14952 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Cl MC427417 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.61 O=[N+]([O-])C1=NC=CC=C1F CS14954 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.61 O=[N+]([O-])C1=NC=CC=C1I MC33501 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O CS21934 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl MC115890 [0,1,0,0,0,0|2,0,0]=3 360 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,0,0|1,0,0]=2 370 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,0,0|1,0,0]=2 375 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,0|1,0,0]=2 376 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,0,0|1,0,0]=2 377 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,0,0|1,0,0]=2 378 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 MC431795 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.113 CC(N)C1=CC(F)=CN=C1 MC106300 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,1,0,0,0,0|1,0,2]=4 384 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS14905 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 MC33456 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 MC427506 [0,1,0,0,0,0|1,0,1]=3 405 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 MC33357 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.113 NC1=NC([N+](=O)[O-])=CC=C1 CS18013 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,0,0|2,0,0]=3 428 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,1,0,0,0,0|1,0,0]=2 431 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.113 O=C1C=C(C(=O)O)C=NN1 CS22119 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,1,0,0,0,0|1,0,1]=3 449 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=N1 CS13936 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 CS21489 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.113 O=[N+]([O-])C1=CN=CC(Cl)=C1 CS22229 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.113 O=[N+]([O-])C1=CN=CC(F)=C1 CS16840 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.113 O=[N+]([O-])C1=CN=CC(O)=C1 CS22322 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 MC431103 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.113 O=[N+]([O-])C1=NC=CC(Cl)=C1 MC427461 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 MC105769 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 CS21711 [0,1,0,0,0,0|3,0,0]=4 458 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,1,0|1,0,0]=2 459 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,1,0|1,0,0]=2 460 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,1,0|1,0,0]=2 461 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [0,0,0,0,1,0|2,0,0]=3 462 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,1,0|0,0,1]=2 463 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,1,0|1,0,0]=2 464 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,1,0|1,0,0]=2 465 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,1,0|1,0,0]=2 466 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,1,0|1,0,0]=2 467 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,1,0|1,0,0]=2 468 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,1,0|1,0,0]=2 469 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,0,0,0,1,0|1,0,0]=2 470 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,1,0|2,0,1]=4 471 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,0,0,0,1,0|1,0,2]=4 472 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,0,0,0,1,0|2,0,1]=4 473 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,0,0,0,1,0|1,0,2]=4 474 B8R1.7 N=C(N)C1=NC=CN1 MC102406 [0,0,0,0,1,0|2,0,1]=4 475 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [0,0,0,0,1,0|3,0,0]=4 476 B8R1.7 N=C(N)N1C=CC=N1 CS20721 [0,0,0,0,1,0|3,0,0]=4 477 B8R1.7 N=C(N)N1C=NC=N1 CS20697 [0,0,0,0,1,0|3,0,0]=4 478 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,0,0,0,1,0|2,0,0]=3 479 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,0,0,0,1,0|1,0,1]=3 480 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,0,0,0,1,0|2,0,0]=3 481 B8R1.7 NC(=S)C1=CN=CS1 MC113938 [0,0,0,0,1,0|2,1,0]=4 482 B8R1.7 NC(=S)C1=CNC=N1 MC111230 [0,0,0,0,1,0|1,1,1]=4 483 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,0,0,0,1,0|2,0,0]=3 484 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,1,0|1,0,1]=3 485 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,1,0|2,0,0]=3 486 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,1,0|2,0,0]=3 487 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,1,0|2,0,0]=3 488 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,0,1,0|2,0,0]=3 489 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,1,0|1,0,1]=3 490 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,0,1,0|1,0,1]=3 491 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,0,0,0,1,0|2,0,0]=3 492 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,0,0,0,1,0|2,0,1]=4 493 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,1,0|2,0,0]=3 494 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,0,1,0|2,0,0]=3 495 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,0,0,0,1,0|2,0,0]=3 496 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,1,0|2,0,0]=3 497 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,0,1,0|2,0,0]=3 498 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,0,0,0,1,0|2,0,0]=3 499 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,0,1,0|1,0,1]=3 500 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,1,0|2,0,0]=3 501 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,1,0|2,0,0]=3 502 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,0,1,0|2,0,0]=3 503 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,0,1,0|2,0,0]=3 504 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,0,0,0,1,0|2,0,0]=3 505 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,0,1,0|2,0,0]=3 506 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,0,0,0,1,0|2,0,1]=4 507 B8R1.7 O=[N+]([O-])C1=CC=NN1 CS19890 [0,0,0,0,1,0|3,0,0]=4 508 B8R1.7 O=[N+]([O-])C1=CN=CN1 CS22016 [0,0,0,0,1,0|2,0,1]=4 509 B8R1.7 O=[N+]([O-])C1=CNC=C1 CS22386 [0,0,0,0,1,0|2,0,1]=4 510 B8R1.7 O=[N+]([O-])C1=CNN=C1 CS18156 [0,0,0,0,1,0|3,0,0]=4 511 B8R1.7 O=[N+]([O-])C1=NC=CN1 CS14315 [0,0,0,0,1,0|2,0,1]=4 512 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,1|1,0,0]=2 513 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,1|3,0,0]=4 514 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,1|1,0,0]=2 515 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,1|2,0,0]=3 516 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,1|2,0,0]=3 517 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,1|3,0,0]=4 518 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,1|3,0,0]=4 519 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,1|3,0,0]=4 520 B10R1.18 NC(=S)NC1=NC=CC=C1 MC427166 [0,0,0,0,0,1|2,1,0]=4 521 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,1|3,0,0]=4 522 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,1|2,0,0]=3 523 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,1|3,0,0]=4 524 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [0,0,0,0,0,1|3,0,0]=4 525 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [0,0,0,0,0,1|3,0,0]=4 526 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,1|2,0,0]=3 527 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,1|3,0,0]=4 528 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,1|3,0,0]=4 529 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,1|3,0,0]=4 530 B10R1.18 O=C([O-])CC1=CN=NC=C1 MC103839 [0,0,0,0,0,1|3,0,0]=4 531 B10R1.18 O=[N+]([O-])NC1=NC=CC=C1 MC427288 [0,0,0,0,0,1|3,0,0]=4 532 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,1,0,0,0|2,0,0]=4 533 B7R1.3 BrC1=CC=CN=C1 CS19218 [2,0,0,0,0,0|2,0,0]=4 534 B7R1.3 BrC1=NC=CC=C1 CS17815 [2,0,0,0,0,0|2,0,0]=4 535 B7R1.3 BrC1=NC=CN=C1 CS15000 [2,0,0,0,0,0|1,0,0]=3 536 B7R1.3 CC1=CC=CN=C1 MC107850 [2,0,0,0,0,0|1,0,0]=3 537 B7R1.3 CC1=CC=CN=N1 CS22374 [2,0,0,0,0,0|2,0,0]=4 538 B7R1.3 CC1=CN=CN=C1 CS18851 [2,0,0,0,0,0|2,0,0]=4 539 B7R1.3 CC1=CN=NC=C1 CS22983 [2,0,0,0,0,0|2,0,0]=4 540 B7R1.3 CC1=NC=CC=C1 MC41623 [2,0,0,0,0,0|1,0,0]=3 541 B7R1.3 CC1=NC=NC=C1 CS19795 [2,0,0,0,0,0|2,0,0]=4 542 B7R1.3 ClC1=NC=CC=C1 MC20672 [2,0,0,0,0,0|2,0,0]=4 543 B7R1.3 ClC1=NC=CN=C1 CS15454 [2,0,0,0,0,0|1,0,0]=3 544 B7R1.3 FC1=CC=CN=C1 MC20006 [2,0,0,0,0,0|2,0,0]=4 545 B7R1.3 FC1=NC=CC=C1 MC20005 [2,0,0,0,0,0|2,0,0]=4 546 B7R1.3 FC1=NC=CN=C1 MC33147 [2,0,0,0,0,0|1,0,0]=3 547 B7R1.3 IC1=NC=CC=C1 CS14565 [2,0,0,0,0,0|2,0,0]=4 548 B7R1.3 IC1=NC=CN=C1 MC425096 [2,0,0,0,0,0|1,0,0]=3 549 B7R1.3 NC1=CC=CN=C1 CS19073 [2,0,0,0,0,0|2,0,0]=4 550 B7R1.3 NC1=NC=CC=C1 MC41600 [2,0,0,0,0,0|2,0,0]=4 551 B7R1.3 NC1=NC=CN=C1 CS16102 [2,0,0,0,0,0|1,0,0]=3 552 B7R1.3 O=C1C=CC=CN1 CS18724 [2,0,0,0,0,0|1,0,1]=4 553 B7R1.3 O=C1C=CC=NN1 CS19793 [2,0,0,0,0,0|2,0,0]=4 554 B7R1.3 O=C1C=CNN=C1 MC427203 [2,0,0,0,0,0|2,0,0]=4 555 B7R1.3 OC1=CC=CN=C1 CS17813 [2,0,0,0,0,0|1,0,1]=4 556 B7R1.3 OC1=NC=CC=C1 CS21602 [2,0,0,0,0,0|1,0,1]=4 557 B7R1.3 OC1=NC=CN=C1 CS21601 [2,0,0,0,0,0|0,0,1]=3 558 B9R1.1 C=CC1=CN=C(Br)C=C1 MC442257 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [1,1,0,0,0,0|0,0,0]=2 563 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 CC1=CN=C(CCl)C=N1 MC103599 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.1 CC1=CN=C(CO)C=N1 CS12383 [1,1,0,0,0,0|0,0,2]=4 566 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [1,1,0,0,0,0|0,0,1]=3 570 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.1 COC1=CN=C(Br)C=N1 CS21377 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.1 COC1=CN=C(Cl)C=N1 CS14927 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.1 COC1=CN=C(N)C=N1 CS19706 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.1 N#CC1=CN=C(N)C=N1 CS17828 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.1 N#CC1=NC=C(Cl)N=C1 CS12402 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.1 NC1=NC=C(C=O)C=N1 CS16976 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.1 NC1=NC=C(C=O)C=N1 CS19828 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.1 O=CC1=CC=C(Cl)N=N1 MC444424 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.1 O=CC1=CN=C(Cl)N=C1 CS12216 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.1 O=CC1=NC=C(Br)C=N1 MC113781 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.1 O=CC1=NC=C(Cl)C=N1 MC104699 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.1 O=CC1=NC=C(F)C=N1 MC103702 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.1 OCC1=NC=C(Cl)N=C1 CS14569 [1,1,0,0,0,0|0,0,2]=4 613 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [1,1,0,0,0,0|0,0,2]=4 620 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [1,1,0,0,0,0|1,0,1]=4 624 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.2 CNC1=CC(Br)=CN=C1 MC443556 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.2 CNC1=NC(Cl)=CN=C1 CS10695 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 COC1=CN=CC(Br)=C1 MC427397 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 COC1=CN=CC(Br)=N1 MC431625 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.2 COC1=CN=CC(Cl)=N1 CS21483 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.2 COC1=CN=CC(N)=C1 CS19973 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.2 COC1=CN=CC(N)=N1 CS12541 [1,1,0,0,0,0|1,0,0]=3 641 B9R1.2 COC1=CN=CC(O)=C1 CS17819 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.2 N#CC1=NC(Br)=CN=C1 CS12208 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.2 N#CC1=NC(Cl)=CN=C1 CS19986 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.2 N#CC1=NC(F)=CN=C1 MC430096 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.2 N#CC1=NC(N)=CN=C1 CS12200 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.2 NCC1=NC(Cl)=CN=C1 MC106438 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.2 NCC1=NC(Cl)=CN=C1 MC111184 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.2 O=CC1=CC=C[N+]([O-])=C1 CS17137 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [1,1,0,0,0,0|0,0,0]=2 671 B9R1.2 O=CC1=NC(Cl)=NC=C1 MC104746 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [1,1,0,0,0,0|1,0,0]=3 673 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 OCC1=NC(Cl)=CN=C1 CS16124 [1,1,0,0,0,0|0,0,2]=4 677 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,1,0,0,0,0|0,0,1]=3 680 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.8 NNCC1=NC=CN=C1 MC105289 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.8 O=NNC1=NC=CN=C1 MC34139 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.15 C#CC1=NC=CN=C1N MC113209 [1,1,0,0,0,0|0,0,2]=4 691 B9R1.15 C=CC1=CC=CN=C1N MC103094 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.15 CC1=CC=CC=C1C=O CS19114 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 CC1=CC=CN=C1C=O CS14987 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.15 CC1=CC=NC=C1C=O MC442433 [1,1,0,0,0,0|1,0,0]=3 695 B9R1.15 CC1=NC=CN=C1CCl MC104771 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.15 CC1=NC=CN=C1CN MC103464 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.15 CC1=NC=CN=C1NN MC111198 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.15 CCC1=NC=CC=C1Br MC105746 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [1,1,0,0,0,0|0,0,1]=3 701 B9R1.15 CNC1=NC=CC=C1Br CS17281 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.15 CNC1=NC=CC=C1Cl MC33482 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.15 CNC1=NC=CC=C1N MC427393 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.15 COC1=CC=CN=C1Br CS19255 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.15 COC1=CC=CN=C1Cl CS19305 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.15 COC1=CC=CN=C1F CS13044 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.15 COC1=CC=CN=C1N CS17216 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.15 COC1=NC=CC=C1Br CS19258 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.15 COC1=NC=CC=C1C MC33438 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.15 COC1=NC=CC=C1Cl CS18705 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.15 COC1=NC=CC=C1F CS19564 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.15 COC1=NC=CC=C1I CS13512 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.15 COC1=NC=CC=C1N CS19526 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.15 COC1=NC=CN=C1Br CS12288 [1,1,0,0,0,0|1,0,0]=3 721 B9R1.15 COC1=NC=CN=C1Cl CS14291 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.15 COC1=NC=CN=C1N MC441119 [1,1,0,0,0,0|1,0,0]=3 723 B9R1.15 CSC1=C(Br)C=CN=C1 MC430535 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.15 N#CC1=NC=CN=C1Br MC443142 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.15 N#CC1=NC=CN=C1Cl CS22668 [1,1,0,0,0,0|1,0,1]=4 727 B9R1.15 N#CC1=NC=CN=C1N CS22107 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.15 NC1=C(C=O)C=CC=C1 MC20756 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.15 NC1=C(C=O)C=CC=N1 CS19340 [1,1,0,0,0,0|1,0,0]=3 730 B9R1.15 NC1=CC=NC=C1C=O CS19349 [1,1,0,0,0,0|1,0,0]=3 731 B9R1.15 NC1=NC=CN=C1C=O CS13122 [1,1,0,0,0,0|0,0,0]=2 732 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [1,1,0,0,0,0|1,0,1]=4 734 B9R1.15 O=CC1=C(Br)C=CC=C1 CS19251 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.15 O=CC1=C(Br)N=CC=C1 CS17915 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.15 O=CC1=C(Cl)C=CN=C1 MC425655 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.15 O=CC1=C(Cl)N=CC=C1 CS14208 [1,1,0,0,0,0|1,0,0]=3 738 B9R1.15 O=CC1=C(F)C=CC=C1 CS21560 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.15 O=CC1=C(F)N=CC=C1 CS18263 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.15 O=CC1=C(I)C=CC=C1 CS20131 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.15 O=CC1=C(O)C=CC=C1 MC41121 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.15 O=CC1=C(O)N=CC=C1 CS19011 [1,1,0,0,0,0|1,0,0]=3 743 B9R1.15 O=CC1=CN=CC=C1Br MC429512 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.15 O=CC1=CN=CC=C1O CS15926 [1,1,0,0,0,0|1,0,0]=3 745 B9R1.15 O=CC1=CNC=CC1=O CS17898 [1,1,0,0,0,0|1,0,1]=4 746 B9R1.15 O=CC1=NC=CC=C1Br MC442737 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.15 O=CC1=NC=CC=C1F CS14128 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.15 O=CC1=NC=CC=C1O MC443215 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.15 O=CC1=NC=CN=C1Cl MC103025 [1,1,0,0,0,0|0,0,0]=2 750 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [1,1,0,0,0,0|0,0,2]=4 751 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,1,0,0,1,0|0,0,1]=3 752 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,1,0,0,1,0|1,0,0]=3 753 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,1,0,0,1,0|1,0,0]=3 754 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,1,0,0,1,0|0,0,1]=3 755 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,1,0,0,1,0|0,0,1]=3 756 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [0,1,0,0,1,0|1,0,0]=3 757 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [0,1,0,0,1,0|1,0,1]=4 758 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,1,0,0,1,0|0,0,1]=3 759 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,1,0,0,1,0|1,0,0]=3 760 B9R1.11 COC(=O)C1=NNC=N1 CS16131 [0,1,0,0,1,0|1,0,0]=3 761 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [0,1,0,0,1,0|1,0,0]=3 762 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [0,1,0,0,1,0|1,0,0]=3 763 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,1,0|1,0,0]=3 764 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,1,0,0,1,0|1,0,0]=3 765 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,1,0,0,1,0|1,0,0]=3 766 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,1,0|1,0,0]=3 767 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,1,0|1,0,0]=3 768 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,1,0,0,1,0|1,0,0]=3 769 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,1,0|1,0,0]=3 770 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,1,0|1,0,0]=3 771 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,1,0|1,0,0]=3 772 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,1,0,0,1,0|1,0,0]=3 773 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,1,0,0,1,0|1,0,0]=3 774 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,1,0,0,1,0|1,0,0]=3 775 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,1,0|1,0,0]=3 776 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,1,0|1,0,0]=3 777 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,1,0,0,1,0|1,0,0]=3 778 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,0,1,0|1,0,1]=4 779 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,1,0,0,1,0|2,0,0]=4 780 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,1,0,0,1,0|2,0,0]=4 781 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,1,0|2,0,0]=4 782 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,1,0|2,0,0]=4 783 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,1,0|2,0,0]=4 784 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,1,0|2,0,0]=4 785 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,1,0|2,0,0]=4 786 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,1,0,0,1,0|2,0,0]=4 787 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,0,1,0|2,0,0]=4 788 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,0,1,0|2,0,0]=4 789 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,1,0,0,1,0|2,0,0]=4 790 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,1,0,0,1,0|2,0,0]=4 791 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,1,0,0,1,0|2,0,0]=4 792 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,1,0,0,1,0|2,0,0]=4 793 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,1,0,0,1,0|2,0,0]=4 794 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,0,1,0|1,0,1]=4 795 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,0,1,0|2,0,0]=4 796 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,1,0,0,1,0|1,0,1]=4 797 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,1,0,0,1,0|1,0,1]=4 798 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,1,0|2,0,0]=4 799 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,0,1,0|1,0,1]=4 800 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,1,0|2,0,0]=4 801 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,1,0,0,1,0|2,0,0]=4 802 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,1,0,0,1,0|2,0,0]=4 803 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,1,0,0,1,0|2,0,0]=4 804 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,1,0,0,1,0|2,0,0]=4 805 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,1,0,0,1,0|1,0,1]=4 806 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,1,0,0,1,0|2,0,0]=4 807 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,1,0,0,1,0|2,0,0]=4 808 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,1,0|2,0,0]=4 809 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,0,1,0|2,0,0]=4 810 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,0,1,0|1,0,1]=4 811 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,0,1,0|2,0,0]=4 812 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,0,1,0|2,0,0]=4 813 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,1,0,0,1,0|2,0,0]=4 814 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,1,0,0,1,0|2,0,0]=4 815 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,1,0|1,0,1]=4 816 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,1,0|2,0,0]=4 817 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,1,0|2,0,0]=4 818 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,1,0|2,0,0]=4 819 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,1,0|2,0,0]=4 820 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,1,0,0,1,0|2,0,0]=4 821 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,1,0,0,1,0|2,0,0]=4 822 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,1,0,0,1,0|2,0,0]=4 823 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,1,0,0,1,0|2,0,0]=4 824 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,1,0,0,1,0|2,0,0]=4 825 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,1,0,0,1,0|2,0,0]=4 826 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,1,0,0,1,0|2,0,0]=4 827 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,0,1,0|2,0,0]=4 828 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,1,0,0,1,0|2,0,0]=4 829 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,1,0,0,1,0|2,0,0]=4 830 B9R1.35 O=C(O)C1=NNC(Br)=N1 CS12373 [0,1,0,0,1,0|2,0,0]=4 831 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,1,0,0,1,0|2,0,0]=4 832 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,0,1,0|2,0,0]=4 833 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,1,0,0,1,0|1,0,0]=3 834 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,1,0,0,1,0|1,0,0]=3 835 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,1,0,0,1,0|1,0,0]=3 836 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,1,0,0,1,0|0,0,1]=3 837 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,1,0,0,1,0|2,0,0]=4 838 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,1,0,0,1,0|2,0,0]=4 839 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [0,1,0,0,1,0|2,0,0]=4 840 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,1,0,0,1,0|2,0,0]=4 841 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,1,0,0,1,0|2,0,0]=4 842 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,0,1,0|1,0,1]=4 843 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,1,0,0,1,0|2,0,0]=4 844 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,0,1,0|2,0,0]=4 845 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,1,0,0,1,0|2,0,0]=4 846 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [0,1,0,0,1,0|2,0,0]=4 847 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,1,0,0,1,0|2,0,0]=4 848 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [0,1,0,0,1,0|2,0,0]=4 849 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [0,1,0,0,1,0|2,0,0]=4 850 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,1,0,0,1,0|1,0,1]=4 851 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [0,1,0,0,1,0|1,0,1]=4 852 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,1,0,0,1,0|2,0,0]=4 853 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21952 [0,1,0,0,1,0|1,0,1]=4 854 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21953 [0,1,0,0,1,0|1,0,1]=4 855 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,1,0,0,1,0|2,0,0]=4 856 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [0,1,0,0,1,0|2,0,0]=4 857 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,1,0,0,1,0|1,0,1]=4 858 B9R1.41 NC(=O)C1=CNN=C1N CS11046 [0,1,0,0,1,0|2,0,0]=4 859 B9R1.41 NC(=O)C1=CNN=C1N CS22109 [0,1,0,0,1,0|2,0,0]=4 860 B9R1.41 NC(=O)C1=NNC=C1Br CS14484 [0,1,0,0,1,0|2,0,0]=4 861 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [0,1,0,0,1,0|2,0,0]=4 862 B9R1.41 NC1=NSN=C1C(=O)O CS12587 [0,1,0,0,1,0|2,0,0]=4 863 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,1,0,0,1,0|2,0,0]=4 864 B9R1.41 O=C(O)C1=C(Br)C=NN1 CS13587 [0,1,0,0,1,0|2,0,0]=4 865 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,1,0,0,1,0|2,0,0]=4 866 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,1,0,0,1,0|2,0,0]=4 867 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,1,0,0,1,0|2,0,0]=4 868 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,1,0,0,1,0|2,0,0]=4 869 B9R1.41 O=C(O)C1=C(I)C=NN1 CS13410 [0,1,0,0,1,0|2,0,0]=4 870 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,1,0,0,1,0|2,0,0]=4 871 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [0,1,0,0,1,0|2,0,0]=4 872 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [0,1,0,0,1,0|2,0,0]=4 873 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [0,1,0,0,1,0|2,0,0]=4 874 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,1,0,0,1,0|2,0,0]=4 875 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 MC443192 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,1,0,0,0,1|1,0,0]=3 881 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 MC443320 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.20 CC(C)OC1=CN=C(Cl)C=N1 CS17390 [0,1,0,0,0,1|1,0,1]=4 886 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,1,0,0,0,1|1,0,0]=3 901 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.86 O=C(O)CC1=CC=CN=C1F MC429275 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.86 O=C(O)CC1=NC=CN=C1Cl MC104770 [0,1,0,0,0,1|1,0,0]=3 908 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 MC20703 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [0,1,0,0,0,1|1,0,0]=3 913 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [0,1,0,0,0,1|1,0,0]=3 914 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 MC115540 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 CS12495 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,2,0,0,0,0|1,0,0]=3 928 B11R1.3 COC1=CN=C(C(=O)Cl)C=N1 MC106028 [0,2,0,0,0,0|1,0,0]=3 929 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,2,0,0,0,0|1,0,0]=3 931 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,2,0,0,0,0|1,0,0]=3 932 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.3 NC(=O)C1=NC=C(C=O)C=C1 MC432013 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 CS18466 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.3 NCc1ccc(C(N)=O)cn1 MC431292 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=N1 CS14272 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 MC430210 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 MC429982 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 CS14626 [0,2,0,0,0,0|1,0,1]=4 967 B11R1.21 NC(=O)C1=NC(Br)=C(Cl)C=C1 MC108007 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.21 NC(=O)C1=NC(Cl)=C(Br)C=C1 MC108013 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.21 NC(=O)C1=NC(Cl)=C(Cl)C=C1 MC110050 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.21 NC1=C(I)N=C(C(=O)O)C=N1 MC104768 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br CS12387 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br MC101922 [0,2,0,0,0,0|1,0,0]=3 974 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.21 O=C(Cl)C1=NC(Br)=C(F)C=C1 MC106017 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 MC20828 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 MC431134 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 CS14093 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 CS22861 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 MC432210 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 CS13277 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 MC103666 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [0,2,0,0,0,0|1,0,0]=3 989 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [0,2,0,0,0,0|1,0,0]=3 993 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,2,0,0,0,0|1,0,0]=3 996 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,2,0,0,0,0|1,0,0]=3 1009 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,2,0,0,0,0|1,0,0]=3 1011 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,2,0,0,0,0|1,0,0]=3 1013 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,2,0,0,0,0|1,0,0]=3 1014 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,2,0,0,0,0|0,0,0]=2 1021 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,2,0,0,0,0|0,0,0]=2 1024 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,2,0,0,0,0|1,0,0]=3 1025 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,2,0,0,0,0|0,0,0]=2 1029 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,2,0,0,0,0|0,0,0]=2 1031 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,2,0,0,0,0|2,0,0]=4 1034 B11R1.22 NNC(=O)C1=NC=C(Cl)N=C1 CS12382 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 CS16150 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.22 O=C(CBr)C1=CC=C(Cl)N=N1 MC431152 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.166 CC(=O)C1=CN=C(Cl)N=C1Cl MC103668 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [0,2,0,0,0,0|1,0,0]=3 1069 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS14724 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 CS19398 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.166 CC1=C(C(N)=O)C=CC(Cl)=N1 MC106129 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O MC431042 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O MC425056 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.166 CC1=CC(F)=NC=C1C(=O)O MC432072 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.166 CC1=CC(N)=NC=C1C(=O)O MC427212 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 CS15178 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 CS20205 [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)Cl MC106019 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS15914 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.166 CC1=NC=C(C(=O)O)C(F)=C1 MC432353 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 CS12116 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.166 NC(=O)C1=C(Br)N=C(Cl)C=C1 MC108010 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.166 NC(=O)C1=C(Cl)N=C(Br)C=C1 MC108015 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 MC33289 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1Cl CS22508 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Br MC108014 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Cl CS16870 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 MC432153 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 CS14921 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O CS14395 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O MC429964 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.166 NC1=CC(F)=NC=C1C(=O)O MC103397 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.166 NC1=CC(O)=NC=C1C(=O)O CS22578 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.166 O=C(Cl)C1=CN=C(Cl)C=C1Cl MC427096 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.166 O=C(O)C1=C(Br)N=C(F)C=C1 MC431766 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 MC432617 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 CS21796 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.166 O=C(O)C1=C(Cl)N=C(F)C=C1 MC431623 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS19029 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 CS17032 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 CS15315 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br CS13280 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl MC103222 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br MC445336 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl CS15782 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl CS15170 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br MC20838 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl MC31031 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F MC429610 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl CS21897 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl MC442260 [0,2,0,0,0,0|1,0,0]=3 1120 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br MC429650 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl MC430828 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.166 O=C(O)C1=NC=C(F)C=C1F MC429507 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,2,0,0,0,0|1,0,0]=3 1124 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.16 N#CCC(=O)C1=CC=CN=C1 MC425586 [0,2,0,0,0,0|1,0,0]=3 1128 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,2,0,0,0,0|2,0,0]=4 1133 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS18168 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,2,0,0,0,0|1,0,1]=4 1143 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,2,0,0,0,0|1,0,0]=3 1146 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,2,0,0,0,0|1,0,0]=3 1149 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [0,2,0,0,0,0|0,0,0]=2 1150 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,2,0,0,0,0|0,0,0]=2 1153 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,2,0,0,0,0|1,0,0]=3 1155 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [0,2,0,0,0,0|0,0,0]=2 1156 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,2,0,0,0,0|1,0,0]=3 1158 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,2,0,0,0,0|1,0,0]=3 1162 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [0,2,0,0,0,0|1,0,0]=3 1174 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [0,2,0,0,0,0|1,0,0]=3 1178 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [0,2,0,0,0,0|1,0,0]=3 1181 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [0,2,0,0,0,0|1,0,0]=3 1185 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [0,2,0,0,0,0|1,0,0]=3 1186 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [0,2,0,0,0,0|1,0,0]=3 1187 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.222 COC(=O)C1=CN=CN=C1N CS12825 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.222 COC(=O)C1=CN=CNC1=O CS19080 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.222 COC(=O)C1=CN=NC=C1C MC102128 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [0,2,0,0,0,0|1,0,0]=3 1194 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [0,2,0,0,0,0|1,0,0]=3 1195 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [0,2,0,0,0,0|1,0,0]=3 1196 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,2,0,0,0,0|1,0,0]=3 1197 B11R1.222 COC(=O)C1=NC=CN=C1Br CS12415 [0,2,0,0,0,0|0,0,0]=2 1198 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS18208 [0,2,0,0,0,0|0,0,0]=2 1199 B11R1.222 COC(=O)C1=NC=CN=C1I MC103283 [0,2,0,0,0,0|0,0,0]=2 1200 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [0,2,0,0,0,0|0,0,0]=2 1201 B11R1.222 COC(=O)C1=NC=CN=C1O CS11607 [0,2,0,0,0,0|0,0,0]=2 1202 B11R1.222 COC(=O)C1=NC=NC=C1Br CS12520 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.222 NNC(=O)C1=NC=CN=C1N MC425577 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=N1 MC442239 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.155 CS(=O)(=O)C1=CN=CC(Br)=C1 MC431216 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 CS12568 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS20330 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [0,2,0,0,0,0|1,0,0]=3 1216 B11R1.53 COC1=CC=NC=C1C(=O)O CS13273 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [0,2,0,0,0,0|1,0,0]=3 1218 B11R1.53 COC1=NC=CN=C1C(=O)O CS16473 [0,2,0,0,0,0|1,0,0]=3 1219 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 CS21516 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.53 N#CC1=CC=CN=C1C(=O)O MC103589 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 CS17869 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F CS13264 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O CS15783 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl MC41246 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F MC41237 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.156 CC(=O)C1=C(F)C=CC=C1F CS18713 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.156 CC(=O)C1=C(F)C=CC=C1O CS19423 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.156 CC(=O)C1=C(O)C=CC=C1O CS21180 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=N1 MC33523 [0,2,0,0,0,0|2,0,0]=4 1230 B11R1.156 CC1=CC=NC(C)=C1C(=O)O MC33430 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.156 NC(=O)C1=C(Cl)N=CC=C1Cl MC425535 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.156 NC(=O)C1=[N+]([O-])C=CN=C1N MC110837 [0,2,0,0,0,0|1,0,1]=4 1233 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=N1 CS15167 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.156 NC1=CC=NC(Cl)=C1C(=O)O MC104535 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F MC430589 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1Cl CS18918 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1F MC33301 [0,2,0,0,0,0|2,0,0]=4 1238 B11R1.156 O=C(O)C1=C(F)N=CC=C1F MC33521 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.156 O=C(O)C1=C(F)N=CC=C1I CS19541 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 CS21018 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 MC41235 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 MC20204 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 MC31073 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 MC442382 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 MC443630 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 CS20991 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 CS20407 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 CS10781 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 CS15701 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 CS20939 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.159 CC(=O)c1cccc(Br)c1N MC433201 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O CS17097 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O MC442698 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O CS22569 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.159 NC1=C(Cl)C(C(=O)O)=NC=C1 MC429875 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O CS15968 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.159 O=C(O)C1=NC=CC(Br)=C1F MC432492 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl MC442436 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F MC431600 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 CS14948 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 MC10476 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 MC33032 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS21139 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 CS10721 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS12150 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 CS18839 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 MC41223 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 MC442384 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 MC10366 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 CS12985 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 CS12192 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS15935 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 MC10135 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS13715 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS20840 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 MC33295 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 CS19932 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F MC425594 [0,2,0,0,0,0|1,0,0]=3 1283 B11R1.167 CC(=O)C1=NC(C)=CC=C1C MC111076 [0,2,0,0,0,0|1,0,0]=3 1284 B11R1.167 CC(=O)C1=NC(Cl)=CC=C1Cl MC106299 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C CS15957 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 CS15972 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.167 CC1=CC(C(=O)O)=C(Cl)N=C1 CS17254 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.167 CC1=CC(C(=O)O)=C(I)N=C1 MC429858 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 MC112964 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 MC111079 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 MC431567 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 MC443687 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.167 CC1=CC=C(O)N=C1C(=O)O MC427108 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [0,2,0,0,0,0|1,0,0]=3 1296 B11R1.167 CN(C)C1=NC(Br)=CN=C1N CS21261 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.167 NC(=O)C1=C(Br)N=CC(Cl)=C1 MC108008 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.167 NC(=O)C1=C(Cl)N=CC(Br)=C1 CS16208 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=C1 MC106803 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.167 NC(=O)C1=CC(Br)=CN=C1F MC431921 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.167 NC(=O)C1=NC(Br)=CC=C1F MC431838 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O MC106772 [0,2,0,0,0,0|1,0,0]=3 1303 B11R1.167 NC(=O)C1=NC(Cl)=CC=C1N MC10412 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.167 NC(=O)C1=NC(I)=CN=C1N MC114709 [0,2,0,0,0,0|1,0,0]=3 1305 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 CS22956 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=N1 CS21275 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.167 NC1=C(C(=O)O)C=C(I)C=N1 MC427420 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 MC443227 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O MC427091 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.167 NC1=NC=C(Br)N=C1C(=O)O CS22088 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.167 NC1=NC=C(Cl)N=C1C(=O)O CS12627 [0,2,0,0,0,0|1,0,0]=3 1312 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 CS21135 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 CS15518 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.167 O=C(O)C1=C(Br)N=CC(F)=C1 MC111567 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.167 O=C(O)C1=C(Cl)N=CC(Br)=C1 CS18656 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.167 O=C(O)C1=C(Cl)N=CC(Cl)=C1 CS15201 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 CS14241 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 MC441067 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 MC432036 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 CS18796 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F MC433044 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br MC442809 [0,2,0,0,0,0|2,0,0]=4 1323 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Cl MC33514 [0,2,0,0,0,0|2,0,0]=4 1324 B11R1.167 O=C(O)C1=NC(Br)=CC=C1F MC429615 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.167 O=C(O)C1=NC(Br)=CC=C1O CS12800 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br MC441246 [0,2,0,0,0,0|1,0,0]=3 1327 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br CS13146 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl CS18671 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F MC20813 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br CS16934 [0,2,0,0,0,0|1,0,0]=3 1331 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl CS16420 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.167 O=[N+]([O-])C1=NC(Br)=CN=C1Br MC33528 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 MC111196 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 MC30105 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,2,0,0,0,0|1,0,0]=3 1339 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 MC427325 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.74 CC(=O)c1cc(Br)cc(Br)c1 MC433229 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,2,0,0,0,0|2,0,0]=4 1344 B11R1.74 NC(=O)C1=NC(Cl)=CC(Cl)=C1 MC106128 [0,2,0,0,0,0|2,0,0]=4 1345 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 MC33509 [0,2,0,0,0,0|2,0,0]=4 1346 B11R1.74 NC1=CC(C(=O)O)=NC(Cl)=C1 MC33512 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.74 O=C(Cl)C1=NC(Cl)=CC(Cl)=C1 MC106018 [0,2,0,0,0,0|2,0,0]=4 1348 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 MC442155 [0,2,0,0,0,0|2,0,0]=4 1349 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 MC431198 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 CS17530 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 CS22506 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.74 O=C(O)C1=NC(Cl)=CC(F)=C1 MC431621 [0,2,0,0,0,0|2,0,0]=4 1353 B11R1.74 O=C(O)C1=NC(F)=CC(Br)=C1 MC431181 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.266 CC(=O)C1=CC(C#N)=CN=C1 MC430333 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 MC33524 [0,2,0,0,0,0|2,0,0]=4 1359 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 CS14547 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 CS14616 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 MC434007 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [0,2,0,0,0,0|2,0,0]=4 1369 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [0,0,0,1,0,1|2,0,0]=4 1370 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [0,0,0,1,0,1|2,0,0]=4 1371 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [0,0,0,1,0,1|2,0,0]=4 1372 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [0,0,0,1,0,1|2,0,0]=4 1373 B11R2.10 CC1=NC2=NC=CC=C2N1 CS21659 [0,0,0,1,0,1|2,0,0]=4 1374 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [0,0,0,1,0,1|1,0,1]=4 1375 B11R2.10 NC1=NC2=NC=CN=C2S1 CS17613 [0,0,0,1,0,1|1,1,0]=4 1376 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,1,0,1|2,0,0]=4 1377 B11R2.10 O=C1CC2=C(N=CN=C2)N1 MC101998 [0,0,0,1,0,1|2,0,0]=4 1378 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,1,0,1|2,0,0]=4 1379 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,1,0,1|2,0,0]=4 1380 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,1,0,1|1,0,0]=3 1381 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,1,0,1|1,0,0]=3 1382 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,1,0,1|1,0,1]=4 1383 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [0,0,0,1,0,1|2,0,0]=4 1384 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [0,0,0,1,0,1|2,0,0]=4 1385 B11R2.10 O=C1NC2=NC=CN=C2N1 MC116441 [0,0,0,1,0,1|1,0,0]=3 1386 B11R2.1 BrC1=CNC2=NC=CN=C12 CS22145 [0,1,0,1,0,0|1,0,1]=4 1387 B11R2.1 BrC1=CSC2=NC=CN=C12 MC113247 [0,1,0,1,0,0|1,0,1]=4 1388 B11R2.1 BrC1=NNC2=NC=CN=C12 CS22127 [0,1,0,1,0,0|2,0,0]=4 1389 B11R2.1 BrC1=NSC2=NC=CN=C12 MC113246 [0,1,0,1,0,0|1,1,0]=4 1390 B11R2.1 CC1=CNC2=C1C=NC=C2 MC443768 [0,1,0,1,0,0|2,0,0]=4 1391 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [0,1,0,1,0,0|2,0,0]=4 1392 B11R2.1 CC1=NNC2=C1C=NC=C2 MC441394 [0,1,0,1,0,0|2,0,0]=4 1393 B11R2.1 CC1=NNC2=CC=CN=C21 MC442333 [0,1,0,1,0,0|2,0,0]=4 1394 B11R2.1 CC1=NNC2=NC=CC=C12 CS20725 [0,1,0,1,0,0|2,0,0]=4 1395 B11R2.1 CC1=NNC2=NC=CN=C12 MC442345 [0,1,0,1,0,0|1,0,0]=3 1396 B11R2.1 NC1=NNC2=NC=CN=C12 MC442344 [0,1,0,1,0,0|2,0,0]=4 1397 B11R2.1 NC1=NOC2=NC=CN=C12 MC113217 [0,1,0,1,0,0|1,0,1]=4 1398 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,1,0,1,0,0|2,0,0]=4 1399 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,1,0,1,0,0|1,0,0]=3 1400 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,1,0,1,0,0|1,0,0]=3 1401 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,1,0,1,0,0|2,0,0]=4 1402 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,1,0,1,0,0|1,0,0]=3 1403 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,1,0,1,0,0|1,0,0]=3 1404 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,1,0,1,0,0|2,0,0]=4 1405 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,1,0,1,0,0|2,0,0]=4 1406 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [0,1,0,1,0,0|2,0,0]=4 1407 B11R2.1 O=C1NNC2=NC=CC=C12 CS13662 [0,1,0,1,0,0|2,0,0]=4 1408 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,1,0,1,0,0|2,0,0]=4 1409 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,1,0,1,0,0|1,0,0]=3 1410 B11R2.40 NC1(C2=NC=CN=C2)CC1 MC104760 [0,1,0,1,0,0|1,0,1]=4 1411 B7R1.1 C=CN1C=CN=C1 MC20497 [1,0,0,0,1,0|1,0,1]=4 1412 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,1,0|0,0,2]=4 1413 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,1,0|1,0,1]=4 1414 B7R1.1 CNC1=NC=CS1 CS12598 [1,0,0,0,1,0|2,0,0]=4 1415 B7R1.1 COC1=CSC=C1 CS22351 [1,0,0,0,1,0|2,0,0]=4 1416 B7R1.1 COC1=NC=CS1 CS22597 [1,0,0,0,1,0|2,0,0]=4 1417 B7R1.1 CSC1=CNN=C1 MC445675 [1,0,0,0,1,0|2,0,0]=4 1418 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,1,0|2,0,0]=4 1419 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,1,0|0,0,1]=3 1420 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,1,0|0,0,1]=3 1421 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,1,0|1,0,0]=3 1422 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,1,0|1,0,0]=3 1423 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,1,0|1,0,0]=3 1424 B7R1.1 O=CC1=CN=CS1 CS15582 [1,0,0,0,1,0|1,0,0]=3 1425 B7R1.1 O=CC1=CNC=C1 CS20728 [1,0,0,0,1,0|0,0,1]=3 1426 B7R1.1 O=CC1=CNC=N1 CS14113 [1,0,0,0,1,0|0,0,1]=3 1427 B7R1.1 O=CC1=CNN=C1 CS17644 [1,0,0,0,1,0|1,0,0]=3 1428 B7R1.1 O=CC1=CNN=C1 CS18258 [1,0,0,0,1,0|1,0,0]=3 1429 B7R1.1 O=CC1=CNN=N1 MC114304 [1,0,0,0,1,0|1,0,1]=4 1430 B7R1.1 O=CC1=CSC=C1 CS14553 [1,0,0,0,1,0|1,0,0]=3 1431 B7R1.1 O=CC1=CSC=N1 MC33021 [1,0,0,0,1,0|1,0,0]=3 1432 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,0,1,0|0,0,1]=3 1433 B7R1.1 O=CC1=NNC=C1 CS18284 [1,0,0,0,1,0|1,0,0]=3 1434 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,2|2,0,0]=4 1435 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,0,0,0,0,2|2,0,0]=4 1436 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,2|1,0,0]=3 1437 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,0,0,0,2|2,0,0]=4 1438 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,0,0,0,2|2,0,0]=4