0 B10R1.113 CC1=CC=CC(C(C)N)=C1 094296 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.113 CC1=CC=CC(S(C)=O)=C1 064559 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 064493 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.113 CS(=O)C1=CC(F)=CC=C1 064508 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.113 CS(=O)C1=CC=CC(Br)=C1 064477 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.2 CC1=CC=CC(CS)=C1 105403 [1,0,0,0,0,0|1,1,1]=4 6 B9R1.2 CSC1=CC=CC(S)=C1 037948 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.6 CC(N)C1=CC=CC=N1 300972 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.21 CC(=O)C1=CC(O)=C(I)C=C1 105437 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.21 CC(C)C1=CC(Br)=C(Br)C=C1 035647 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.21 CC(C)C1=CC(Br)=C(F)C=C1 037569 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.21 CC(C)C1=CC=C(S)C(Br)=C1 037913 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.21 CC1=C(C)C=C(S(C)=O)C=C1 064526 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 062746 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 038130 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.74 CC1=CC(C(=O)Cl)=CC(Br)=C1 062789 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.74 CS(=O)C1=CC(Cl)=CC(Cl)=C1 064536 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 237912 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.159 O=C(Cl)C1=C(Cl)C(Br)=CC=C1 062764 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.159 O=[N+]([O-])C1=C(Br)C(Cl)=CC=C1 222660 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.159 O=[N+]([O-])C1=CC=CC(F)=C1I 237369 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F 093146 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.167 CC(C)C1=CC(Br)=CC=C1O 244071 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.167 CC1=CC(S(C)=O)=C(C)C=C1 064521 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.167 NC(=O)C1=CC(N)=CC=C1Cl 314021 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.167 O=C(Cl)C1=C(Br)C=CC(Cl)=C1 038135 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.266 COC1=CC=CC(S(C)=O)=C1 064516 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.266 COC1=NC=CC(C(N)=S)=C1 068410 [0,1,0,0,0,0|2,1,0]=4 28 B9R1.35 CC(=O)C1=CC(Cl)=CS1 033141 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.35 CC1=CNC(C(=O)O)=C1 040049 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.35 O=C(O)C1=CC(Cl)=CN1 237313 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 CC1=C(C(N)=O)C=CS1 512236 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.157 CC(C)SC1=CC=CC(Cl)=C1 094944 [0,0,0,0,0,1|2,0,1]=4 33 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.2 [15NH2]CC1=CC=CC=C1 105185 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 094705 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.2 CSC1=CC=CC(Br)=C1Cl 105294 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.8 C=CC1=CC(Cl)=CC(Cl)=C1 098371 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.8 CNC1=CC(Br)=CC(F)=C1 104894 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.8 COC1=CC(F)=CC(N)=C1 230690 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 C=CCC1=CC=CC(C)=C1 022306 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.10 CCOC1=CC(F)=CC=C1 013375 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.30 C=CC1=C(F)C=CC(F)=C1 474850 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.30 CCC1=C(F)C=CC(Br)=C1 037701 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.30 COC1=C(Cl)C=CC(I)=C1 075709 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=C(Cl)C=CC(S)=C1 075710 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.30 COC1=CC(C)=CC=C1Cl 038664 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.30 COC1=CC(C)=CC=C1O 216346 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.30 CSC1=C(F)C=CC(Br)=C1 098206 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.30 O=CC1=C(Cl)C=NC(Cl)=C1 236521 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.172 CCC1=CC(C=O)=CC=C1 216622 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.176 CCC1=CC=C(S)C(Br)=C1 061618 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.176 COC1=CC=C(Br)C(S)=C1 062585 [1,1,0,0,0,0|1,1,0]=4 54 B10R1.176 COC1=CC=C(I)C(N)=C1 062579 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.176 COC1=CC=C(S)C(C)=C1 023081 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.176 CSC1=CC=C(Br)C(S)=C1 070273 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.176 CSC1=CC=C(C)C(S)=C1 070026 [1,1,0,0,0,0|1,1,0]=4 58 B10R1.176 CSC1=CC=C(Cl)C(S)=C1 070092 [1,1,0,0,0,0|1,1,0]=4 59 B10R1.13 CN(C)C1=CC=C(N)C=C1 106160 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 064474 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 064485 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 097856 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.15 C=C(CC)C1=CC=CC=C1 319906 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.61 CC(F)C1=C(Br)C=CC=C1 035830 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.61 CS(=O)C1=C(Cl)C=CC=C1 064490 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.61 CS(=O)C1=C(F)C=CC=C1 064511 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.61 NC(=O)C1=NC=CC=C1F 094552 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.14 COC(=O)C1=CC=C(Br)N1 092635 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.58 CC(=O)C1=CC(C)=C(Cl)S1 038280 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.149 CN1C=CC=C1C(=O)CBr 094097 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.192 CC(=O)C1=C(C)NC=C1C 093005 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.19 NC1=CC=C(CC(=O)O)C=C1Br 038726 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.19 O=C(O)CC1=CC=C(I)C(Br)=C1 038727 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.50 CC1=CC(NC(=O)CBr)=NC=C1 042916 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.50 CC1=CC=CC(NC(=O)CBr)=N1 042914 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.50 O=C(CCl)NC1=CC(Br)=CC=C1 033307 [0,1,0,0,0,1|1,0,0]=3 77 B12R1.101 O=C(Cl)CC1=CC(F)=CC(F)=C1 038316 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.119 CS(=O)(=O)CC1=CC(F)=CC=C1 024344 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.119 CS(=O)(=O)NC1=CC(Br)=CC=C1 062657 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl 314916 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.224 CC(=O)NC1=C(C)C(Cl)=CC=C1 095839 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.48 COC1=C(I)C=C(C(=O)Cl)C=C1 038117 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.56 O=C(O)C1=CC=C(Br)C(CO)=C1 211450 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.232 CC1=C(C(=O)O)C=C(Cl)C(Br)=C1 069444 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.232 CC1=CC(C(=O)Cl)=C(F)C=C1F 062727 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1F 075720 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O 214354 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.232 CC1=CC(F)=C(C(=O)Cl)C=C1F 062726 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)Cl 062725 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.232 NC1=CC(C(=O)O)=C(Br)C=C1Cl 038736 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1Br 104985 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1Cl 069689 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1C 069412 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.893 CC1=C(F)C(Br)=CC=C1C(=O)O 069441 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.893 O=C(Cl)C1=CC=C(Br)C(F)=C1F 070348 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 069695 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 093798 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Cl)C=C1 069713 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1 104853 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.1005 CC1=C(Br)C(Cl)=CC(C(=O)O)=C1 214350 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 069416 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 070594 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(F)=C1 097814 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 092536 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.17 CC1=CC=CC(C(=O)CC#N)=N1 324133 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.17 CCNC(=O)C1=CC=CC(N)=C1 310925 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.24 COC(=O)C1=CC=CC(Br)=C1Cl 363369 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.24 COC(=O)C1=CC=CC(N)=C1F 232768 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.358 COC(=O)C1=CC(N)=NC(Cl)=C1 105309 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.358 COC(=O)C1=CC(O)=CC(F)=C1 318132 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.11 CCC1=CC(C(=O)O)=CC(C)=C1 038647 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.11 CCC1=CC(C)=CC(C(=O)Cl)=C1 069399 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.11 COC1=CC(N(C)C)=CC(F)=C1 043470 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.102 CC1=CC(C)=CC(S(C)(=O)=O)=C1 019362 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.511 CC1=C(C(=O)O)C=C(Cl)C=C1Br 098519 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.511 CC1=C(C(=O)O)C=C(Cl)C=C1F 075734 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.511 CC1=CC(Br)=CC(C(=O)Cl)=C1Cl 062776 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1Br 062774 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1Cl 062775 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1I 062773 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.511 CC1=CC(C(=O)O)=C(F)C(Br)=C1 098564 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.511 O=C(O)C1=C(Cl)C(Br)=CC(Cl)=C1 098343 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.511 O=C(O)C1=C(Cl)C(Br)=CC(F)=C1 098340 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.511 O=C(O)C1=C(Cl)C(F)=CC(F)=C1 093801 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.511 O=C(O)C1=CC(Cl)=CC(Br)=C1F 302730 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.511 O=C(O)C1=CC(Cl)=CC(F)=C1Cl 232127 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.511 O=C(O)C1=CC(F)=CC(Br)=C1F 362949 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.440 O=[N+]([O-])C1=C(F)C(CO)=CC=C1 076853 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.894 CC1=C(C(=O)O)C(F)=CC=C1F 094991 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.894 NC(=O)C1=C(Cl)C(F)=CC=C1F 005588 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.894 O=C(Cl)C1=C(Br)C(F)=CC=C1F 062757 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.894 O=C(Cl)C1=C(F)C(Br)=CC=C1F 062754 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.894 O=C(Cl)C1=C(F)C(F)=CC=C1Br 062756 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.894 O=C(Cl)C1=C(F)C(F)=CC=C1Cl 043111 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.894 O=C(O)C1=C(I)C(F)=CC=C1F 043161 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.46 CC1=CC(C(=O)O)=C(C#N)C=C1 214343 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.46 O=CC1=CC=C(I)C=C1C(=O)O 031124 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.453 COC1=CC(C(=O)O)=C(F)C=N1 224662 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.258 O=C(O)C1=CC(C(F)F)=CC=C1 433933 [0,2,0,0,0,0|2,0,0]=4 140 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 033240 [0,0,0,1,0,1|2,0,0]=4 141 B10R1.18 CC(=O)NC1=CC=CC=N1 433646 [1,0,0,0,0,1|1,0,0]=3 142 B12R1.226 O=C(O)CSC1=CC=CC(Br)=C1 033383 [0,0,0,0,0,2|2,0,0]=4 143 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 033386 [0,0,0,0,0,2|2,0,0]=4