0 B10R1.17 BrCCOC1=CC=CC=C1 AC-1946 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C=CCCC1=CC=CC=C1 AC-16193 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCCCC1=CC=CN=C1 AC-7560 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCCCC1=NC=CC=C1 AC-7561 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 CCNCC1=CC=CN=C1 AC-7360 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCNCC1=CC=NC=C1 AC-23897 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 CNCCC1=CC=CC=C1 AC-2677 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CNCCC1=CC=CC=N1 AC-23916 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 ClCCOC1=CC=CC=C1 AC-15744 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 NCCNC1=CC=CC=C1 AC-25457 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 NCCOC1=CC=CC=C1 AC-15743 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 OCCCC1=CC=CC=C1 AC-14708 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.8 BrCCC1=NC=CC=C1 AC-20552 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 BrCCC1=NC=CC=C1 AC-34188 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CCCC1=CC=NC=C1 AC-18478 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CCOC1=NC=CC=C1 AC-23102 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CNCC1=CC=CN=C1 AC-2640 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 ClCCC1=NC=CC=C1 AC-20553 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 N#CCC1=CC=CN=C1 AC-24997 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 N#CCC1=NC=CC=C1 AC-3169 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NCCC1=CC=CC=N1 AC-15573 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 NCCC1=CC=CN=C1 AC-6717 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 NNCC1=CC=CC=C1 AC-1819 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 OCCC1=CC=CC=C1 AC-18484 [1,0,0,0,0,0|0,0,2]=3 24 B9R1.8 OCCC1=NC=CC=C1 AC-4672 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 AC-4948 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.1 CCCCC1=CC=C(Br)C=C1 AC-14645 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.1 CCCCC1=CC=C(N)C=C1 AC-11849 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.1 COCCC1=CC=C(O)C=C1 AC-23553 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.1 O=C\C=C/C1=CC=C(F)C=C1 AC-20487 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.1 OCCCC1=CC=C(Br)C=C1 AC-26947 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.16 NC(CCO)C1=CC=CC=C1 AC-5728 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC-071 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 AC-5696 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC-6655 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.24 CCNCC1=CC(Br)=CC=C1 AC-2680 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.24 CCNCC1=CC(F)=CC=C1 AC-2713 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.24 OCCCC1=CC(O)=CC=C1 AC-9300 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.28 BrCCCCC1=CC=CC=C1 AC-16206 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.28 BrCCCOC1=CC=CC=C1 AC-20351 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.28 BrCCOCC1=CC=CC=C1 AC-30867 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.28 ClCCOCC1=CC=CC=C1 AC-20352 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.28 NCCOCC1=CC=CC=C1 AC-23189 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.28 NCCOCC1=CC=CC=C1 AC-23229 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.28 OCCCCC1=CC=CC=C1 AC-23988 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.28 S=C=NCCC1=CC=CC=C1 AC-12769 [0,1,0,0,0,0|1,1,1]=4 46 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 AC-11193 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.40 NC(CO)CC1=CC=CC=C1 AC-24150 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-16295 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-5650 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.40 [C@@H](N)(CO)CC1=CC=CC=C1 AC-22383 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.91 CC(=O)OCC1=CC=CN=C1 AC-17940 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.91 CC(N)CCC1=CC=CC=C1 AC-8354 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.91 N=C(N)COC1=CC=CC=C1 AC-7102 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.91 NC(=O)NCC1=CC=CC=C1 AC-6165 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.91 NC(=S)NCC1=CC=CC=C1 AC-17452 [0,1,0,0,0,0|1,1,0]=3 56 B11R1.91 O=C(O)CCC1=NC=CC=C1 AC-23589 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.91 O=C(O)CNC1=CC=CC=C1 AC-13995 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-4327 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AC-34658 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.91 O=C([O-])COC1=CC=CC=C1 AC-13765 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-5344 [0,1,0,0,0,0|2,0,1]=4 62 B11R2.1 BrC1=CNC2=C1C=CC=C2 AC-882 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.1 BrC1=NNC2=CC=CC=C21 AC-1280 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 CC1=CNC2=CC=CC=C12 AC-13010 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.1 CC1=COC2=CC=CC=C12 AC-20991 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.1 CC1=CSC2=CC=CC=C12 AC-16554 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.1 ClC1=CNC2=C1C=CC=C2 AC-25149 [0,0,0,1,0,0|3,0,0]=4 68 B11R2.1 ClC1=NOC2=CC=CC=C21 AC-26526 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 ClC1=NSC2=C1C=CC=C2 AC-224 [0,0,0,1,0,0|3,0,0]=4 70 B11R2.1 ClC1CCC2=CC=CC=C21 AC-3552 [0,0,0,1,0,0|2,0,1]=4 71 B11R2.1 IC1=CNC2=C1C=CC=C2 AC-28358 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.1 IC1=NNC2=CC=CC=C21 AC-12962 [0,0,0,1,0,0|3,0,0]=4 73 B11R2.1 NC1=NSC2=C1C=CC=C2 AC-5045 [0,0,0,1,0,0|3,0,0]=4 74 B11R2.1 NC1CCC2=C1C=CC=C2 AC-3212 [0,0,0,1,0,0|2,0,1]=4 75 B11R2.1 NC1CCC2=CC=CC=C21 AC-4420 [0,0,0,1,0,0|2,0,1]=4 76 B11R2.1 NC1CCC2=CC=CC=C21 AC-9026 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AC-5905 [0,0,0,1,0,0|2,0,1]=4 78 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 AC-6132 [0,0,0,1,0,0|2,0,1]=4 79 B11R2.1 N[C@H]1CCC2=CC=CC=C21 AC-5906 [0,0,0,1,0,0|2,0,1]=4 80 B11R2.1 O=C1CCC2=CC=CC=C12 AC-2464 [0,0,0,1,0,0|1,0,0]=2 81 B11R2.1 O=C1COC2=CC=CC=C12 AC-30814 [0,0,0,1,0,0|2,0,0]=3 82 B11R2.1 O=C1NCC2=CC=CC=C12 AC-25604 [0,0,0,1,0,0|1,0,0]=2 83 B11R2.1 O=C1NN=C2C=CC=CN12 AC-7639 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.1 O=C1NSC2=CC=CC=C12 AC-2653 [0,0,0,1,0,0|2,0,0]=3 85 B11R2.1 O=C1OCC2=NC=CC=C12 AC-23822 [0,0,0,1,0,0|1,0,0]=2 86 B11R2.1 OC1=NOC2=CC=CC=C21 AC-26513 [0,0,0,1,0,0|2,0,1]=4 87 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 AC-18336 [0,0,0,1,0,0|2,0,1]=4 88 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 AC-15970 [0,0,0,1,0,0|2,0,1]=4 89 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 AC-29453 [0,0,0,1,0,0|2,0,1]=4 90 B11R2.20 C1=CC=C2CC=CCC2=C1 AC-20980 [0,0,0,1,0,0|2,0,0]=3 91 B11R2.20 C1=CC=C2COCCC2=C1 AC-5320 [0,0,0,1,0,0|1,0,1]=3 92 B11R2.20 C1=CC=C2N=CN=CC2=C1 AC-18352 [0,0,0,1,0,0|2,0,1]=4 93 B11R2.20 C1=CC=C2NCCCC2=C1 AC-2531 [0,0,0,1,0,0|2,0,1]=4 94 B11R2.988 N#CC1CC2=CC=CC=C21 AC-284 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.988 OCC1CC2=CC=CC=C21 AC-503 [0,0,0,1,0,0|1,0,2]=4 96 B8R1.2 BrCC1=CC=CN=C1 AC-2598 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 BrCC1=CC=NC=C1 AC-25730 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 COC1=CC=CN=C1 AC-33353 [2,0,0,0,0,0|1,0,1]=4 99 B8R1.2 COC1=CC=NC=C1 AC-7005 [2,0,0,0,0,0|1,0,1]=4 100 B8R1.2 COC1=NC=CC=C1 AC-15188 [2,0,0,0,0,0|1,0,1]=4 101 B8R1.2 ClCC1=CC=CN=C1 AC-2905 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 ClCC1=CC=NC=C1 AC-5103 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 ClCC1=NC=CC=C1 AC-1647 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.2 N#CC1=CC=CC=C1 AC-18110 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.2 N#CC1=CC=CC=C1 AC-4986 [2,0,0,0,0,0|1,0,1]=4 106 B8R1.2 NCC1=CC=CN=C1 AC-3071 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 NCC1=CC=NC=C1 AC-27372 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.2 O=CC1=CC=CC=N1 AC-5098 [2,0,0,0,0,0|1,0,0]=3 109 B8R1.2 O=CC1=CC=CN=C1 AC-2428 [2,0,0,0,0,0|1,0,0]=3 110 B8R1.2 O=CC1=CC=NC=C1 AC-2103 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.2 O=CC1=CN=CN=C1 AC-6955 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.2 O=CC1=CN=NC=C1 AC-24532 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 O=CC1=NC=CC=N1 AC-7061 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 OCC1=CC=NC=C1 AC-8251 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.2 OCC1=CN=CC=C1 AC-15599 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.2 OCC1=CN=CN=C1 AC-22329 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.2 OCC1=NC=CC=N1 AC-22795 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.1 CC1=CC=C(CC#N)C=C1 AC-16937 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.1 CNCC1=CC=C(Br)C=C1 AC-2707 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC-26481 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.1 CNCC1=CC=C(F)C=C1 AC-2708 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.1 ClC1=CC=C(CCBr)C=C1 AC-8944 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.1 FC1=CC=C(CCBr)C=C1 AC-5230 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.1 N#CCC1=CC=C(Cl)C=C1 AC-4376 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.1 N#CCC1=CC=C(F)C=C1 AC-26163 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.1 N#CCC1=CC=C(N)C=C1 AC-10549 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.1 N#CCC1=CC=C(O)C=C1 AC-10551 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.1 NCCC1=CC=C(Br)C=C1 AC-185 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.1 NCCC1=CC=C(Cl)C=C1 AC-13735 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.1 NCCC1=CC=C(Cl)C=C1 AC-27039 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 NCCC1=CC=C(N)C=C1 AC-6719 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.1 NCCC1=CC=C(O)C=C1 AC-16250 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.1 O=CCC1=CC=C(Br)C=C1 AC-25620 [1,1,0,0,0,0|0,0,0]=2 134 B10R1.1 OCCC1=CC=C(Br)C=C1 AC-2689 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.1 OCCC1=CC=C(F)C=C1 AC-22742 [1,1,0,0,0,0|0,0,2]=4 136 B10R1.1 OCCC1=CC=C(O)C=C1 AC-2493 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.4 CC1=CC=CC=C1CC#N AC-16983 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.4 CNCC1=CC=CC=C1Br AC-7266 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.4 CNCC1=CC=CC=C1F AC-7267 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.4 N#CCC1=C(Br)C=CC=C1 AC-156 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.4 N#CCC1=C(F)C=CC=C1 AC-26164 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.4 N#CCC1=CC=CC=C1Cl AC-10303 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.4 NC1=CC=CC=C1CCO AC-067 [1,1,0,0,0,0|0,0,2]=4 144 B10R1.4 NCCC1=CC=CC=C1Cl AC-6667 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.4 NCCC1=CC=CC=C1N AC-6721 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.4 NNCC1=CC=CC=C1F AC-29261 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.10 BrCCC1=CC(Br)=CC=C1 AC-25646 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.10 CC1=CC=CC(CC#N)=C1 AC-16936 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.10 CNCC1=CC(Br)=CC=C1 AC-9496 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.10 CNCC1=CC(F)=CC=C1 AC-2712 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.10 CNCC1=CC(N)=CC=C1 AC-20549 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.10 N#CCC1=CC(F)=CC=C1 AC-9790 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.10 N#CCC1=CC(O)=CC=C1 AC-10550 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.10 N#CCC1=CC=CC(Br)=C1 AC-4182 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.10 N#CCC1=CC=CC(Cl)=C1 AC-4375 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC-6666 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.10 NCCC1=CC=CC(Br)=C1 AC-6691 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.10 NCCC1=CC=CC(N)=C1 AC-6720 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.10 NNCC1=CC(O)=CC=C1 AC-6614 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.10 OCCC1=CC(Br)=CC=C1 AC-23078 [1,1,0,0,0,0|0,0,2]=4 161 B10R1.15 NC(CO)C1=CC=CC=C1 AC-24149 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.15 NC[C@H](O)C1=CC=CC=C1 AC-9145 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC-6755 [1,1,0,0,0,0|0,0,2]=4 164 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-5679 [1,1,0,0,0,0|0,0,2]=4 165 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-5680 [1,1,0,0,0,0|0,0,2]=4 166 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 AC-5684 [1,1,0,0,0,0|0,0,2]=4 167 B10R1.15 OC[C@H](O)C1=CC=CC=C1 AC-5683 [1,1,0,0,0,0|0,0,2]=4 168 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 AC-5647 [1,1,0,0,0,0|0,0,2]=4 169 B10R1.18 CC(=O)CC1=CC=NC=C1 AC-19864 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.18 CN(C)CC1=CC=CC=C1 AC-10211 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.18 C[C@@H](Cl)CC1=CC=CC=C1 AC-18761 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.18 NC(=O)CC1=CC=CC=C1 AC-24581 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.18 NC(=S)NC1=CC=CC=C1 AC-13462 [1,1,0,0,0,0|1,1,0]=4 174 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-24998 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-2507 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-1346 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-6580 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.18 O=C(O)CC1=CN=CN=C1 AC-22791 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-27705 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-2897 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.18 O=C(O)CC1=NC=CC=N1 AC-4431 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.16 CC1=CC=C(CCC=O)O1 AC-22554 [0,1,0,0,1,0|2,0,0]=4 183 B10R1.66 O=C(O)CCC1=CC=CS1 AC-6474 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AC-24193 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC-2401 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AC-8263 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AC-7414 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AC-5144 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AC-10963 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AC-10148 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AC-10323 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-10322 [0,2,0,0,0,0|1,0,1]=4 193 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC-10329 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34130 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34133 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 AC-26821 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 AC-4753 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 AC-5721 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 AC-5724 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 AC-5693 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AC-27002 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AC-5692 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 AC-6588 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 AC-23820 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.125 O=C(O)CCC1=CC=CC=C1Br AC-5447 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.125 O=C(O)CCC1=CC=CC=C1F AC-14114 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.125 O=C(O)COC1=CC=CC=C1Br AC-19723 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC-14118 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 AC-12284 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AC-30053 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AC-14115 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC-14172 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AC-3070 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 AC-16619 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.8 BrCCCOCC1=CC=CC=C1 AC-25475 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.8 OCCCOCC1=CC=CC=C1 AC-25474 [0,2,0,0,0,0|0,0,2]=4 217 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 AC-33878 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.27 CCC(=O)OCC1=CC=CC=C1 AC-17034 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.27 COC(=O)CSC1=CC=CC=C1 AC-16474 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.27 NCC(=O)OCC1=CC=CC=C1 AC-14338 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.27 NCC(=O)OCC1=CC=CC=C1 AC-8560 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.27 NNC(=O)CCC1=CN=CC=C1 AC-7808 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 AC-16894 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.252 CC(=O)CCSC1=CC=CC=C1 AC-17748 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.252 CC(=O)OCCC1=CC=CC=C1 AC-18657 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.252 CC(=O)OCCC1=NC=CC=C1 AC-20554 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AC-3254 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AC-4763 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AC-16675 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-19213 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-2979 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.252 O=C(O)COCC1=CC=CC=C1 AC-20344 [0,2,0,0,0,0|0,0,0]=2 233 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 AC-19229 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-24032 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC-22417 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O AC-10472 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O AC-9961 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O AC-9955 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O AC-5878 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-11292 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-8664 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O AC-5879 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O AC-9956 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O AC-9962 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 AC-116009 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-5645 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-5644 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 AC-5733 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.43 [C@H](N)(CC1=NC=CC=C1)C(=O)O AC-19148 [0,2,0,0,0,0|2,0,0]=4 250 B10R2.6 C1=CC=C(C2CO2)C=C1 AC-9510 [1,0,0,1,0,0|0,0,1]=3 251 B10R2.6 C1=CC=C(C2CO2)C=C1 AC-9511 [1,0,0,1,0,0|0,0,1]=3 252 B10R2.7 C1=CC2=C(C=C1)CNC2 AC-1204 [1,0,0,1,0,0|1,0,1]=4 253 B10R2.7 C1=CC2=C(C=C1)CNC2 AC-20744 [1,0,0,1,0,0|1,0,1]=4 254 B10R2.7 C1=CC2=NON=C2C=C1 AC-13738 [1,0,0,1,0,0|2,0,0]=4 255 B10R2.7 C1=CC=C2NCCC2=C1 AC-531 [1,0,0,1,0,0|1,0,1]=4 256 B10R2.7 C1=CC=C2NNCC2=C1 AC-14734 [1,0,0,1,0,0|2,0,0]=4 257 B10R2.7 C1=CC=C2OCCC2=C1 AC-7075 [1,0,0,1,0,0|0,0,2]=4 258 B10R2.7 C1=CC=C2SC=NC2=C1 AC-3297 [1,0,0,1,0,0|1,1,0]=4 259 B10R2.7 C1=NNC2=CC=CC=C12 AC-36248 [1,0,0,1,0,0|2,0,0]=4 260 B10R2.320 BrC1CC2=CC=CC=C21 AC-154 [1,0,0,1,0,0|1,0,1]=4 261 B10R2.320 O=C1CC2=CC=CC=C12 AC-101 [1,0,0,1,0,0|0,0,0]=2 262 B12R2.24 BrC1=CC=C2COCCC2=C1 AC-25655 [0,1,0,1,0,0|1,0,1]=4 263 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-3056 [0,1,0,1,0,0|1,0,1]=4 264 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-27927 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC-3329 [0,1,0,1,0,0|1,0,0]=3 266 B12R2.24 O=C1CCC2=CC=CC=C2O1 AC-34197 [0,1,0,1,0,0|1,0,0]=3 267 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 AC-29525 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.24 O=C1COC2=CC=CC=C2N1 AC-23158 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 AC-8794 [0,1,0,1,0,0|1,0,0]=3 270 B12R2.132 CC1=CC=C2OCC(=O)C2=C1 AC-31643 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.132 NC1=CC2=C(C=C1)CNC2=O AC-25271 [0,1,0,1,0,0|1,0,0]=3 272 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 AC-2268 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.132 NC1=CC=C2ONC(=O)C2=C1 AC-27117 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 AC-173 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 AC-20009 [0,1,0,1,0,0|1,0,0]=3 276 B12R2.132 O=C1CCC2=CC=C(F)C=C12 AC-9650 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.132 O=C1CCC2=CC=C(O)C=C12 AC-23404 [0,1,0,1,0,0|1,0,0]=3 278 B12R2.132 O=C1COC2=CC=C(Br)C=C12 AC-31640 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 AC-31637 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.132 O=C1NOC2=CC=C(Cl)C=C12 AC-27122 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 AC-23868 [0,1,0,1,0,0|0,0,0]=2 282 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 AC-18802 [0,1,0,1,0,0|1,0,1]=4 283 B12R2.1081 O=C1C=NNC2=CC=CC=C12 AC-27099 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-6869 [0,1,0,1,0,0|1,0,0]=3 285 B12R2.1081 O=C1CCCC2=C1C=CN=C2 AC-29591 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AC-27428 [0,1,0,1,0,0|2,0,0]=4 287 B12R2.1081 O=C1CCCC2=CC=CN=C12 AC-346 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AC-29666 [0,1,0,1,0,0|1,0,0]=3 289 B12R2.1081 O=C1CCOC2=CC=CC=C12 AC-3079 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.1081 O=C1COCC2=CC=CC=C12 AC-30171 [0,1,0,1,0,0|0,0,0]=2 291 B12R2.1081 O=C1NCCC2=CC=CC=C12 AC-5218 [0,1,0,1,0,0|1,0,0]=3 292 B12R2.1081 OC1=CC=CC2=C1CC=CC2 AC-15143 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 AC-23412 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 AC-18310 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AC-17858 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.32 O=CC1=CC2=CC=CC=C2N1 AC-4322 [0,1,0,1,0,0|1,0,1]=4 297 B12R2.32 O=CC1=NC2=CC=CC=C2S1 AC-23054 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.32 O=CC1CC2=CC=CC=C2O1 AC-20008 [0,1,0,1,0,0|1,0,0]=3 299 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AC-23413 [0,1,0,1,0,0|1,0,0]=3 300 B12R2.196 CC1=C2OCC(=O)C2=CC=C1 AC-31642 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 AC-9648 [0,1,0,1,0,0|1,0,0]=3 302 B12R2.196 O=C1CCC2=C(O)C=CC=C12 AC-23403 [0,1,0,1,0,0|1,0,0]=3 303 B12R2.196 O=C1CCC2=C1C=CC=C2Cl AC-4562 [0,1,0,1,0,0|1,0,0]=3 304 B12R2.196 O=C1CCC2=C1C=CC=C2F AC-9649 [0,1,0,1,0,0|1,0,0]=3 305 B12R2.196 O=C1CCC2=C1C=CC=C2O AC-23402 [0,1,0,1,0,0|1,0,0]=3 306 B12R2.196 O=C1COC2=C(Br)C=CC=C12 AC-31635 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AC-31639 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 AC-28868 [0,1,0,1,0,0|1,0,0]=3 309 B12R2.196 O=C1NCC2=C(Cl)N=CC=C12 AC-30060 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.196 O=C1OCC2=C1C=CC=C2Br AC-30753 [0,1,0,1,0,0|0,0,0]=2 311 B12R2.196 O=C1OCC2=C1C=CC=C2Cl AC-2421 [0,1,0,1,0,0|0,0,0]=2 312 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AC-23388 [0,1,0,1,0,0|1,0,0]=3 313 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 AC-23398 [0,1,0,1,0,0|1,0,0]=3 314 B12R2.203 O=C1NOC2=C1C(Cl)=CC=C2 AC-7661 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC-23414 [0,1,0,1,0,0|1,0,0]=3 316 B12R2.612 CC1=CC=C2C(=O)COC2=C1 AC-31644 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 AC-26502 [0,1,0,1,0,0|1,0,0]=3 318 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 AC-29380 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 AC-22814 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 AC-172 [0,1,0,1,0,0|1,0,0]=3 321 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 AC-10213 [0,1,0,1,0,0|1,0,0]=3 322 B12R2.612 O=C1CCC2=CC(F)=CC=C12 AC-2267 [0,1,0,1,0,0|1,0,0]=3 323 B12R2.612 O=C1COC2=C1C=CC(O)=C2 AC-6907 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AC-31641 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AC-31638 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 AC-28867 [0,1,0,1,0,0|1,0,0]=3 327 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AC-29978 [0,1,0,1,0,0|0,0,0]=2 328 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 AC-30749 [0,1,0,1,0,0|0,0,0]=2 329 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 AC-15824 [0,1,0,1,0,0|0,0,0]=2 330 B12R2.612 OB1OCC2=CC(Cl)=CC=C12 AC-36848 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.612 OB1OCC2=CC(F)=CC=C12 AC-30887 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.1 O=CC1=CNC2=CC=CC=C12 AC-23425 [0,1,0,1,0,0|1,0,1]=4 333 B12R2.1 O=CC1=CSC2=CC=CC=C12 AC-1053 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.1 O=CC1=NNC2=CC=CC=C21 AC-8942 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.1 O=CN1N=NC2=CC=CC=C21 AC-27565 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.18 O=C1C2=CC=CC=C2CC1Br AC-23387 [0,1,0,1,0,0|1,0,0]=3 337 B12R2.18 O=C1C2=CC=CC=C2CC1I AC-22955 [0,1,0,1,0,0|1,0,0]=3 338 B12R2.18 O=C1NC2=CC=CC=C2C1=O AC-10666 [0,1,0,1,0,0|2,0,0]=4 339 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 AC-210 [0,1,0,1,0,0|1,0,0]=3