0 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [1,0,0,0,0,0|1,0,2]=4 1 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 D91275 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.25 CC1=CC(Br)=C(NN)C=C1 H11426 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.25 CC1=CC(C)=C(NN)C=C1 S11306 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.25 CCC1=C(C)C=C(C)C=C1 T73021 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.25 CNC1=C(F)C=C(F)C=C1 F11384 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.25 COC1=C(Br)C=C(N)C=C1 C13363 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CL8418 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.25 COC1=C(Cl)C=C(O)C=C1 D82682 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.25 COC1=C(N)C=C(N)C=C1 E10142 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.25 ClC1=CC(Br)=C(CBr)C=C1 N10597 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.25 NC1=CC(Cl)=C(CO)C=C1 A50711 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 93736 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.57 COC1=C(B(O)O)C=CC(C)=C1 D71595 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.57 COC1=C(C(C)C)C=CC(C)=C1 D91215 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.126 OC1=C(C(F)(F)F)C=CC(F)=C1 34534 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.232 CC(=O)C1=C(O)C=C(C)C(C)=C1 S10961 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1F CL9108 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.232 CC(=O)C1=CC(F)=C(F)C=C1O D96253 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.232 CC1=C(I)C=C(C(=O)O)C(O)=C1 35161 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.452 COC1=CC(Br)=C(C(C)=O)C=C1 AC1208 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.1000 CC(C)C1=C(O)N=C(N)N=C1O H11506 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 D90113 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N10937 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.1703 O=C(CBr)C1=C(O)C=C(F)C=C1 F13712 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.1703 O[C@@H](CCl)C1=C(F)C=C(F)C=C1 D97161 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 D71901 [0,0,0,1,0,0|2,0,1]=4 41 B12R1.233 CC(C)NC1=C(F)C=C(F)C=C1 C77822 [0,0,0,0,0,1|2,0,0]=3 42 B12R1.233 CC1=CC(N)=CN=C1OC(C)C O11600 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.1 BC1=CC=C(OC)C=C1 F10893 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 CC1=CC=C(NN)C=C1 W10666 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 CSC1=CC=C(C)C=C1 D91411 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [2,0,0,0,0,0|0,1,0]=3 63 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 36893 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.69 NC1=C(O)C=C(O)C=C1 D88056 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 NC1=CC(O)=C(O)C=C1 31975 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 A10797 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D82958 [1,1,0,0,0,0|0,1,1]=4 75 B11R1.3 CC(C)C1=CC=C(CO)C=C1 D97386 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 CK2116 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.3 CN(C)C1=CC=C(CN)C=C1 82875 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.3 CN(C)C1=CC=C(CN)C=C1 C90108 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 A50923 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.3 CN(C)C1=NC=C(CN)C=C1 C90463 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.3 COC1=CC=C([S@](C)=O)C=C1 W16290 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20994 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16991 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.19 CC(C)(F)C1=CN=C(Br)C=C1 AC1550 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 D86508 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 T70701 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.22 CCN(N)C1=CC=C(C)C=C1 D90542 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [1,1,0,0,0,0|0,0,0]=2 92 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.37 COC1=C(OC)C=C(N)C=C1 L10100 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.81 CNCC1=C(C)C=C(C)C=C1 C78452 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.81 CNCC1=C(F)C=C(Br)C=C1 N11594 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.81 FC1=CC(F)=C(CCBr)C=C1 C78053 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.278 CC1=C(F)C(F)=C(CBr)C=C1 N12070 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.278 CC1=CC=C(CN)C(F)=C1F D95679 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.279 CCC1=C(Cl)C=C(OC)C=C1 75487 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.279 COC1=C(F)C=C(CN)C=C1 CK2402 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 Y11745 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.279 COC1=CC(F)=C(CO)C=C1 98274 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.464 CC1=CC(C)=C(CN)C(O)=N1 H10959 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.87 CC(C)(O)C1=C(O)C=CC=C1 W15333 [1,1,0,0,0,0|0,0,0]=2 109 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 34676 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.156 C[C@H](O)C1=C(Cl)C=CC=C1N E71739 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.159 CC1=CC=CC(C(C)C)=C1N D85846 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 20075 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 D85844 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.222 CO[C@@H](C)C1=CC=CN=C1Cl E72494 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.222 C\C(=N/O)C1=C(O)C=CC=C1 11574 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [1,1,0,0,0,0|1,0,1]=4 121 B13R1.3528 CC(C)OC1=C(F)C(O)=C(Br)C=C1 AT21286 [0,1,0,0,0,1|2,0,0]=4 122 B11R2.34 ClC1=CC=C([C@@H]2CO2)C=C1 58242 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 V10033 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [1,0,0,1,0,0|1,0,0]=3 125 B11R2.55 BrC1=C(C2CC2)C=CC=C1 C11092 [1,0,0,1,0,0|1,0,0]=3 126 B13R2.3051 CC1(C)OC2=C(C=C(Br)C=C2)O1 25873 [0,0,0,1,0,1|1,0,0]=3 127 B11R1.20 CC1=CC=C(OC(F)F)C=C1 F20986 [1,0,0,0,0,1|2,0,0]=4 128 B11R1.86 CC(C)OC1=C(Br)C=NC=C1 N11835 [1,0,0,0,0,1|2,0,0]=4 129 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [1,0,0,0,0,1|2,0,0]=4 130 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [1,0,0,0,0,1|2,0,0]=4 131 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [1,0,0,0,0,1|2,0,0]=4 132 B11R1.74 CC1=CC(C)=CC(C(C)C)=C1 D91092 [0,0,0,0,1,1|1,0,0]=3