0 B11R1.166 NC(=O)C1=C(F)C=C(N)C=C1 432306 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1N 068377 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 064474 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 064485 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 097856 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.25 CC1=CC(C)=C(CO)C=C1 049893 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.25 COC1=C(O)C=C(C)C=C1 009947 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.25 O=CC1=CC=C(Cl)N=C1F 075267 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.25 OCC1=CC=C(Br)C=C1Br 222555 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.25 OCC1=CC=C(Br)C=C1O 217533 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.61 CS(=O)C1=C(Cl)C=CC=C1 064490 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 CS(=O)C1=C(F)C=CC=C1 064511 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 NC(=O)C1=NC=CC=C1F 094552 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.232 CC1=C(C(=O)O)C=C(Cl)C(Br)=C1 069444 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.232 CC1=CC(C(=O)Cl)=C(F)C=C1F 062727 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1F 075720 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O 214354 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.232 CC1=CC(F)=C(C(=O)Cl)C=C1F 062726 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)Cl 062725 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.232 NC1=CC(C(=O)O)=C(Br)C=C1Cl 038736 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1Br 104985 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 396494 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.452 COC1=CC=C(C(C)=O)C(Br)=C1 335944 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1Cl 069689 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1C 069412 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.893 CC1=C(F)C(Br)=CC=C1C(=O)O 069441 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.893 O=C(Cl)C1=CC=C(Br)C(F)=C1F 070348 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 069695 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 093798 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Cl)C=C1 069713 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 214347 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O 070694 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.1000 CC1=CC(Br)=CC(Cl)=C1C(=O)O 069693 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F 062753 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.1703 COC(=O)C1=CC=C(I)C=C1C 234140 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.1703 O=C(CBr)C1=C(F)C=C(Cl)C=C1 095249 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 235337 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 093789 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.59 O=C(O)C1=C(I)C=C(Br)S1 093792 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.59 O=C(O)C1=C(I)C=C(I)S1 093793 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.15 CC1=CC=NC=C1C=O 065210 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.3 COC1=CC=C(S(=O)[O-])C=C1 097673 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.3 COC1=CC=C(S(C)=O)C=C1 094784 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 075220 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.21 CC(=O)C1=CC(O)=C(I)C=C1 105437 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 062746 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Br)C=C1 038130 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 075241 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.37 COC1=CC(C)=CC=C1C=O 038667 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.277 CC1=CC(Cl)=C(Cl)C=C1C=O 214355 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.277 O=CC1=C(F)C=C(Cl)C(Cl)=C1 463973 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.278 CC1=C(Br)C=CC(C=O)=C1C 069410 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.278 CC1=C(Br)C=CC(C=O)=C1Cl 099911 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.278 CC1=C(C=O)C=CC(Br)=C1Cl 069690 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.278 CC1=C(Cl)C=CC(C=O)=C1C 069413 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.278 O=CC1=C(Cl)C(Cl)=C(Cl)C=C1 097792 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.278 O=CC1=C(Cl)C(F)=C(F)C=C1 093797 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.278 O=CC1=C(F)C(Cl)=C(Cl)C=C1 069712 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.278 O=CC1=CC=C(I)C(F)=C1F 037602 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.464 CC1=C(C=O)C(Cl)=CC(Cl)=C1 214348 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.464 CC1=CC(Br)=CC(C)=C1C=O 231102 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.464 CC1=CC(Cl)=C(C=O)C(Cl)=C1 097674 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.53 COC1=C(S(C)=O)C=CC=C1 064503 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.156 CC1=CC=CC(Br)=C1C(=O)Cl 062788 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.156 NC(=O)C1=C(N)C=CC=C1Cl 094028 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 237912 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.159 O=C(Cl)C1=C(Cl)C(Br)=CC=C1 062764 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.167 NC(=O)C1=CC(N)=CC=C1Cl 314021 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.167 O=C(Cl)C1=C(Br)C=CC(Cl)=C1 038135 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.315 CCC1=CC(Br)=CC(C)=C1C(=O)O 069376 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.2065 COC(=O)C1=CC=C(Cl)C=C1C#N 230862 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.2398 COC1=C(C(=O)O)C=C(F)C(F)=C1 342521 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.2398 COC1=CC(C)=C(I)C=C1C(=O)O 212967 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.1807 COC(=O)C1=C(Br)C=C(Cl)C(I)=C1 038740 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.1807 COC(=O)C1=C(Br)C=C(Cl)C(N)=C1 038737 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.1807 COC(=O)C1=C(C)C=C(Br)C(Cl)=C1 097661 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.1807 COC(=O)C1=C(C)C=C(F)C(Br)=C1 097662 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.1807 COC(=O)C1=C(F)C=C(O)C(Br)=C1 094851 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.2812 NC1=C(Br)C(C(=O)O)=C(Br)C=C1Cl 038742 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.2812 NC1=C(Br)C(C(=O)O)=C(Cl)C=C1Br 038729 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.2812 NC1=C(Br)C(C(=O)O)=C(F)C=C1Br 038728 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.2812 O=C(O)C1=C(Br)C=C(Br)C(I)=C1F 037620 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.2812 O=C(O)C1=C(Br)C=C(F)C(Br)=C1F 037623 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.2812 O=C(O)C1=C(Cl)C=C(Br)C(Br)=C1F 037646 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.2812 O=C(O)C1=C(Cl)C=C(Br)C(I)=C1F 037648 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.2812 O=C(O)C1=C(F)C(Br)=C(F)C=C1F 037589 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.2812 O=C(O)C1=C(F)C(Cl)=C(Br)C=C1Cl 037644 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.2812 O=C(O)C1=C(F)C(Cl)=C(F)C=C1F 037590 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.2812 O=C(O)C1=C(F)C=C(Br)C(F)=C1Br 037628 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.2812 O=C(O)C1=C(I)C=C(F)C(Br)=C1F 037625 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.428 COC1=CC(F)=C(C(C)=O)C(F)=C1 241885 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.3096 COC1=CC=C(C(=O)O)C(F)=C1F 013818 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.1808 COC(=O)C1=C(F)C(Br)=C(F)C=C1 105007 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.1808 COC(=O)C1=C(F)C(Cl)=C(Br)C=C1 095146 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.1808 COC(=O)C1=CC=C(Br)C(F)=C1C 075252 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.5187 O=C1OC(=O)C2=CC(O)=CC=C12 456907 [0,1,0,1,0,0|0,0,1]=3 96 B9R1.35 CC1=CNC(C(=O)O)=C1 040049 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.35 O=C(O)C1=CC(Cl)=CN1 237313 [1,0,0,0,1,0|2,0,0]=4 98 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 506388 [0,0,0,0,0,2|2,0,0]=4 99 B13R1.164 O=C(O)CSC1=CC=C(Cl)C=C1Cl 086591 [0,0,0,0,0,2|2,0,0]=4 100 B13R1.164 O=C(O)CSC1=CC=C(F)C=C1F 033388 [0,0,0,0,0,2|2,0,0]=4