0 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 CS-W008221 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS-W015973 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS-W007765 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.21 CC(=O)C1=CC=C(F)C(C)=C1 CS-W018095 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 CC(=O)C1=CC=C(N)C(F)=C1 CS-W019521 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 CS-0032912 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 CS-M3391 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.21 CC1=CC=C(B(O)O)C=C1C CS-D1027 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.21 CC1=CC=C(C(=O)O)C=C1O CS-0008323 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1Br CS-W009519 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS-W019945 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 CC(C)C1=NC=C(N)C=C1 CS-W005813 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS-W019475 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS-B1315 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-M0647 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.113 CC(N)C1=CC(O)=CC=C1 CS-M0013 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 CS-W007109 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS-W021308 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.176 CC1=C(Br)C=C(CO)C=C1 CS-0031361 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.176 CC1=C(O)C=C(C#N)C=C1 CS-W018936 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.176 CC1=CC(CO)=CC=C1Br CS-0042936 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.176 CC1=CC=C(C#N)C=C1F CS-W002443 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.176 CC1=CC=C(NN)C=C1C CS-W016019 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.176 COC1=CC(Br)=C(F)C=C1 CS-W021590 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS-W008217 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.176 COC1=CC(F)=C(Br)C=C1 CS-W008401 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.176 COC1=CC(F)=C(Cl)C=C1 CS-W010874 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.176 COC1=CC(O)=C(I)C=C1 CS-W021705 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.176 COC1=CC=C(Br)C(Cl)=C1 CS-0007554 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.176 COC1=CC=C(F)C(F)=C1 CS-M0333 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.176 COC1=CC=C(F)C(N)=C1 CS-W009062 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.176 N#CC1=CC(O)=C(F)C=C1 CS-W005781 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.176 N#CC1=CC=C(O)C(O)=C1 CS-W008780 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.176 NCC1=CC=C(Br)C(F)=C1 CS-0041618 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS-W015482 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.176 OCC1=CC(F)=C(F)C=C1 CS-W016403 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.176 OCC1=CC=C(Cl)C(Br)=C1 CS-0094795 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 CS-0097334 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.176 OCC1=CC=C(I)C(O)=C1 CS-W018963 [1,0,0,0,0,0|2,0,0]=3 47 B12R1.23 CC1=CC=C(S(C)(=O)=O)C=C1Br CS-0030375 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.48 COC1=CC=C(C(C)N)C=C1F CS-0094690 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.56 CC(C)C1=CC=C(O)C(C=O)=C1 CS-0104902 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS-W010822 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 CS-W007973 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.19 CC(=O)NC1=CC=C(C)C(Cl)=C1 CS-M1325 [0,0,0,0,0,1|2,0,1]=4 53 B9R1.1 C#CC1=CC=C(C)C=C1 CS-W013610 [2,0,0,0,0,0|0,0,2]=4 54 B9R1.1 CC1=CC=C(C=O)C=C1 CS-W013576 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.1 CC1=CC=C(CO)C=C1 CS-W016577 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.1 CCC1=CC=C(N)C=N1 CS-W018793 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 CNC1=CC=C(C)C=C1 CS-W022904 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.1 COC1=CC=C(Cl)C=C1 CS-W011015 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 NCC1=CC=C(Br)C=C1 CS-W007375 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 NCC1=CC=C(Cl)C=C1 CS-W007535 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 OCC1=CC=C(Cl)C=C1 CS-D1681 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 OCC1=CC=C(I)C=C1 CS-W010340 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 CC(N)C1=CC=NC=C1 CS-D0736 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 CN(C)C1=CC=NC=C1 CS-W008903 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 C[C@@H](N)C1=NC=CC=C1 CS-M2154 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.2 CC1=CC(CN)=CC=C1 CS-W004682 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.2 CCC1=CC(N)=CC=C1 CS-W011198 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.2 CNC1=CC=CC(Br)=C1 CS-M2372 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 CNC1=CC=CC(I)=C1 CS-0108519 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.2 N#CC1=CC=CC(O)=C1 CS-D1474 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 CS-0032909 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=C(I)C=C(Br)C=C1 CS-W005551 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.69 CC1=C(N)C=C(F)C=C1 CS-W013512 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.69 CC1=C(O)C=C(F)C=C1 CS-W011163 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.69 CC1=C(O)C=C(O)C=C1 CS-W005468 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.69 CC1=CC(Br)=C(N)C=C1 CS-W007636 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.69 CC1=CC(Br)=C(O)C=C1 CS-W016869 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.69 CC1=CC(N)=C(I)C=C1 CS-W004939 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.69 CC1=CC(N)=C(N)C=C1 CS-W013550 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.69 CC1=CC(O)=C(F)C=C1 CS-W008056 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.69 CC1=CC=C(Br)C=C1Br CS-W002258 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.69 CC1=CC=C(I)C=C1C CS-W016764 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.69 CC1=CC=C(N)C=C1Cl CS-M1324 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.69 NC1=CC=C(O)C(O)=C1 CS-W022078 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.69 OC1=C(F)C=CC(Br)=C1 CS-W007795 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.69 OC1=CC=C(Cl)C(O)=C1 CS-W016374 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 CS-0101890 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS-0094463 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 CS-0030800 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 CS-W009113 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 CS-W007335 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 CS-0028246 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 CS-W016334 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 CS-W021159 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 CS-W014906 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 CS-0082526 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.155 CC(C)(C)C1=CC(O)=CC=C1 CS-0015724 [1,1,0,0,0,0|0,0,0]=2 102 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 CS-W018348 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.159 CC1=CC=CC(C(C)C)=C1N CS-W020539 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.167 CC(O)C1=C(Cl)C=CC(Cl)=C1 CS-W010736 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.279 COC1=CC=C(CO)C=C1O CS-M0791 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS-W015927 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.7922 CC(C)(C)C1=CC(Br)=C(N)C(Br)=C1 CS-0036975 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 CS-W005151 [0,2,0,0,0,0|1,0,1]=4 109 B11R2.34 FC1=CC=C(C2CO2)C=C1 CS-0063809 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.35 ClC1=NC=CC(C2CC2)=C1 CS-0044725 [1,0,0,1,0,0|2,0,0]=4 111 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 CS-0028773 [1,0,0,0,0,1|1,0,0]=3 112 B11R1.20 CC(C)OC1=CC=C(O)C=N1 CS-0100501 [1,0,0,0,0,1|2,0,0]=4 113 B11R1.157 OC1=CC(OC(F)F)=CC=C1 CS-W021774 [1,0,0,0,0,1|2,0,0]=4