0 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 P40576 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.891 C[Si](C)(C)C#CC1=CC=CC=C1 O33632 [0,0,0,0,0,0|1,1,2]=4 2 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 Q68144 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.157 CC(C)(C)NCC1=CC=CC=C1Br P38575 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.157 CC(C)(C)NCC1=CC=CC=C1Cl P37988 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.157 CC(C)(C)NCC1=CC=CC=C1F P35334 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.157 CC(C)(N)COC1=NC=CC=C1Br Q58194 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.157 CC(C)(O)C#CC1=CC=CC=C1N P40916 [0,1,0,0,0,0|0,0,2]=3 12 B13R1.157 CC1=CC=CC=C1CNC(C)(C)C P42617 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.254 CC(C)(CO)CNC1=CC=CC=C1 L20896 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.353 OC(CC1=CC=CC=C1)C(F)(F)F O30638 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 P35586 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.512 CC(C)(C)NCC1=CC=C(Cl)C=C1 P37982 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.512 CC(C)(C)NCC1=CC=C(F)C=C1 P42040 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.512 CC(C)(O)C#CC1=CC=C(Br)C=C1 P36196 [0,1,0,0,0,0|0,0,2]=3 19 B13R1.512 CC(C)(O)C#CC1=CC=C(Cl)C=C1 P36258 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.512 CC1=CC=C(CNC(C)(C)C)C=C1 P37416 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.838 CC(C)(C)NCC1=CC(Br)=CC=C1 N25522 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.838 CC(C)(C)NCC1=CC=CC(Cl)=C1 P35335 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.838 CC(C)(C)NCC1=CC=CC(F)=C1 P35064 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.838 CC(C)(O)C#CC1=CC=CC(Br)=C1 P36197 [0,1,0,0,0,0|0,0,2]=3 25 B13R1.838 CC(C)(O)C#CC1=CC=CC(N)=C1 P36581 [0,1,0,0,0,0|0,0,2]=3 26 B13R1.838 CC1=CC(CNC(C)(C)C)=CC=C1 P38576 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.3523 CC(C)(O)CNCC1=CC=CC=N1 Q58320 [0,0,0,0,0,1|1,0,0]=2 28 B13R1.3523 CC(C)(O)CNCC1=CC=CN=C1 Q58321 [0,0,0,0,0,1|1,0,0]=2 29 B13R1.3523 CC(C)(O)CNCC1=CC=NC=C1 Q58322 [0,0,0,0,0,1|1,0,0]=2 30 B13R1.3523 FC(F)(F)CNCC1=CC=CC=C1 P38211 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.17 CCCCC1=CC=NC=C1 O30545 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.17 CNCCC1=CC=CC=C1 P37213 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 CNCCC1=CC=NC=C1 P37446 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.17 CNCCC1=NC=CC=C1 P40087 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 ICCCC1=CC=CC=C1 P38180 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 NCCCC1=CC=NC=C1 P38929 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 OCCCC1=NC=CC=C1 P39056 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.21 CC(C)COC1=CC=C(Br)C=C1 N25559 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.21 CC(C)COC1=CC=C(F)C=C1 N26826 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.21 CC(C)COC1=NC=C(Br)C=C1 Q67764 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 P37152 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 P38287 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 P41482 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.21 CC(N)COC1=CC=C(Br)C=C1 P36534 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 P39492 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.21 CC(N)COC1=CC=C(F)C=C1 P42374 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 P36503 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 P37394 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [1,1,0,0,0,0|0,0,1]=3 53 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.27 CC(CO)NCC1=CC=CC=N1 Q58145 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.27 CC(CO)NCC1=CC=CN=C1 Q58150 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.27 CC(CO)NCC1=CC=NC=C1 Q58149 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 Q58395 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 P35917 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 P38865 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 P36537 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 P40514 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.125 CC(C)CNC1=C(Br)C=CC=C1 F-4601 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.125 CC(C)CNC1=C(N)C=CC=C1 L20241 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.125 CC(C)NCC1=CC=CC=C1Br P35208 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.125 CC(C)NCC1=CC=CC=C1Cl P37993 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.125 CC(C)NCC1=CC=CC=C1F P35077 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.125 CC1=CC=CC=C1CNC(C)C P35164 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.125 CN(C)CCC1=CC=CC=C1N O29840 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 P42663 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 P35254 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 P35255 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 P35131 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 P42336 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.151 CC(C)(N)CC1=CC=CC=C1F P40320 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [0,1,0,0,1,0|1,0,0]=3 85 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.836 CC(C)(O)CCN1C=C(N)C=N1 Q61842 [0,1,0,0,1,0|2,0,0]=4 87 B14R1.292 C#CC(C)(C)COCC1=CC=CC=C1 G-5693 [0,1,0,0,0,1|1,0,0]=3 88 B14R1.292 CC(C)(CO)COCC1=CC=CC=C1 Q66012 [0,1,0,0,0,1|0,0,0]=2 89 B14R1.3098 CC(NCC(C)(C)O)C1=CC=CC=N1 Q58324 [0,1,0,0,0,1|1,0,0]=3 90 B14R1.3098 CC(NCC(C)(C)O)C1=CC=NC=C1 Q58323 [0,1,0,0,0,1|1,0,0]=3 91 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 P37145 [0,1,0,0,0,1|1,0,1]=4 92 B14R1.93 COC1=CC=CC=C1CNC(C)(C)C P35624 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.2928 CC(CO)(CO)NCC1=CC=CN=C1 Q58208 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.6395 CC(C)(OCC1=CC=CC=C1)C(=O)O O32639 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O P37500 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.211 COC1=CC=C(CNC(C)(C)C)C=C1 P39540 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.2162 COC1=CC(CNC(C)(C)C)=CC=C1 P39876 [0,2,0,0,0,0|2,0,0]=4 98 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.22 NC1CN(C2=CC=CC=C2)C1 L21688 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [1,0,0,1,0,0|0,0,2]=4 103 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.24 NC1CNC2=C(C=CC=C2)C1 O32222 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [1,0,0,1,0,0|1,0,0]=3 109 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [1,0,0,1,0,0|0,0,0]=2 110 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [1,0,0,1,0,0|1,0,0]=3 111 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [1,0,0,1,0,0|0,0,0]=2 112 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [1,0,0,1,0,0|1,0,0]=3 113 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 P41656 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 I-9043 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.2403 CC1(C)CNC2=NC=CC=C21 P47822 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 G-7597 [1,0,0,1,0,0|1,0,0]=3 117 B14R2.4893 CC1(C)CN(CC2=CC=CC=C2)C1 P48679 [0,0,0,1,0,1|1,0,0]=3 118 B14R2.4893 CC1(N)CN(CC2=CC=CC=C2)C1 P44076 [0,0,0,1,0,1|1,0,0]=3 119 B14R2.2973 NCC1(O)CCC2=C(C=CC=C2)C1 L19988 [0,1,0,1,0,0|0,0,0]=2 120 B14R2.4401 CC1(O)CN(C2=CC=C(N)C=C2)C1 P38668 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.4401 FC1(F)CC(C2=CC=C(Br)C=C2)C1 P43490 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.4401 NC1=CC=C(C2CC(F)(F)C2)C=C1 P43420 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.4474 FC1(F)CC(C2=CC(Br)=CC=C2)C1 P43349 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.4474 NC1=CC=CC(C2CC(F)(F)C2)=C1 P43354 [0,1,0,1,0,0|2,0,0]=4 125 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 L21348 [0,0,0,2,0,0|1,0,0]=3 126 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.28 CC(C)(N)C1=CC=CN=C1 S72454 [0,0,0,0,2,0|2,0,0]=4 128 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32487 [0,0,0,0,2,0|2,0,0]=4 129 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32488 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32489 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.28 CC(C)(O)C1=NC=CC=C1 M15802 [0,0,0,0,2,0|1,0,0]=3 132 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [1,0,0,0,0,1|0,0,0]=2 133 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [1,0,0,0,0,1|0,0,0]=2 134 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [1,0,0,0,0,1|0,0,0]=2 135 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [1,0,0,0,0,1|1,0,1]=4