0 B10R1.13 CN(C)C1=CC=C(N)C=C1 106160 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 064474 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 064485 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 NC1=CC=C(C(F)F)N=C1 234524 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 097856 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 CC1=CC=C(CS)C=C1 105406 [1,0,0,0,0,0|1,1,1]=4 6 B9R1.1 CNC1=CC=C(I)C=C1 045902 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.3 COC1=CC=C(S(=O)[O-])C=C1 097673 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.3 COC1=CC=C(S(C)=O)C=C1 094784 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.3 NNC1=NC=C([N+](=O)[O-])C=C1 061113 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 075220 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.21 CC(=O)C1=CC(O)=C(I)C=C1 105437 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.21 CC1=C(C)C=C(S(C)=O)C=C1 064526 [0,1,0,0,0,0|3,0,0]=4 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 B11R1.166 NC(=O)C1=C(F)C=C(N)C=C1 432306 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1N 068377 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 CC(=O)C1=CC(Cl)=CS1 033141 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.35 CC1=CNC(C(=O)O)=C1 040049 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.35 O=C(O)C1=CC(Cl)=CN1 237313 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.20 CC(=S)NC1=CC=C(F)C=C1 331457 [0,0,0,0,0,1|2,1,0]=4 21 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|1,0,1]=4 23 B8R1.2 [15NH2]CC1=CC=CC=C1 105185 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.1 CC1=CC=C(CON)C=C1 025883 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.1 COCC1=CC=C(N)C=C1 098494 [1,1,0,0,0,0|0,0,1]=3 26 B10R1.25 CC1=CC(C)=C(CO)C=C1 049893 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.25 O=CC1=CC=C(Cl)N=C1F 075267 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.25 OCC1=CC=C(Br)C=C1Br 222555 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.25 OCC1=CC=C(Br)C=C1O 217533 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.176 C#CC1=CC=C(N)C(F)=C1 045992 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.15 C=C(CC)C1=CC=CC=C1 319906 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.61 CS(=O)C1=C(Cl)C=CC=C1 064490 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.61 CS(=O)C1=C(F)C=CC=C1 064511 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.61 NC(=O)C1=NC=CC=C1F 094552 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 CC1=CC=CC(S(C)=O)=C1 064559 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 064493 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.113 CS(=O)C1=CC(F)=CC=C1 064508 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 CS(=O)C1=CC=CC(Br)=C1 064477 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.14 COC(=O)C1=CC=C(Br)N1 092635 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.31 CCC1=CC=C(C(=O)O)S1 014517 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 235337 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 093789 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.59 O=C(O)C1=C(I)C=C(Br)S1 093792 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.59 O=C(O)C1=C(I)C=C(I)S1 093793 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.19 NC1=CC=C(CC(=O)O)C=C1Br 038726 [0,1,0,0,0,1|0,0,0]=2 46 B12R1.19 O=C(O)CC1=CC=C(I)C(Br)=C1 038727 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 064722 [0,1,0,0,0,1|1,0,0]=3 48 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 105203 [0,1,0,0,0,1|1,0,0]=3 49 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 026034 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.49 CNC(=O)OC1=CC=C(I)C=C1 105082 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 039340 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 039175 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.48 CNC1=CC=C([N+](=O)[O-])C=C1C 330119 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.48 COC1=C(I)C=C(C(=O)Cl)C=C1 038117 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 396494 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.452 COC1=CC=C(C(C)=O)C(Br)=C1 335944 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.56 O=C(O)C1=CC=C(Br)C(CO)=C1 211450 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.232 CC1=C(C(=O)O)C=C(Cl)C(Br)=C1 069444 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.232 CC1=CC(C(=O)Cl)=C(F)C=C1F 062727 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1F 075720 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O 214354 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.232 CC1=CC(F)=C(C(=O)Cl)C=C1F 062726 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)Cl 062725 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.232 NC1=CC(C(=O)O)=C(Br)C=C1Cl 038736 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1Br 104985 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1Cl 069689 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1C 069412 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.893 CC1=C(F)C(Br)=CC=C1C(=O)O 069441 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.893 O=C(Cl)C1=CC=C(Br)C(F)=C1F 070348 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 069695 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 093798 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Cl)C=C1 069713 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1 104853 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.1005 CC1=C(Br)C(Cl)=CC(C(=O)O)=C1 214350 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 069416 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 070594 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(F)=C1 097814 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 092536 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 225905 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.1703 COC(=O)C1=CC=C(I)C=C1C 234140 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.1703 O=C(CBr)C1=C(F)C=C(Cl)C=C1 095249 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 214347 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O 070694 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.1000 CC1=CC(Br)=CC(Cl)=C1C(=O)O 069693 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F 062753 [0,2,0,0,0,0|2,0,0]=4 86 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 033240 [0,0,0,1,0,1|1,0,0]=3 87 B10R1.18 CC(=O)NC1=CC=CC=N1 433646 [1,0,0,0,0,1|2,0,0]=4