0 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|0,1,1]=3 25 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|0,0,2]=3 26 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,1,0,0,0,0|1,1,1]=4 39 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,1,0,0,0,0|1,1,1]=4 40 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,1,0,0,0,0|1,1,1]=4 41 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,1,0,0,0,0|0,1,0]=2 51 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|1,1,1]=4 53 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,1,0,0,0,0|1,1,1]=4 58 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,1,0,0,0,0|1,1,1]=4 60 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,1,0,0,0,0|1,1,1]=4 61 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,1,0,0,0,0|1,1,1]=4 62 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,1,0,0,0,0|1,1,1]=4 66 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,1,0,0,0,0|1,1,1]=4 67 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,1,0,0,0,0|1,1,1]=4 68 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,0|2,1,0]=4 80 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,0|1,1,1]=4 82 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,1,0,0,0,0|1,1,1]=4 84 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,1,0,0,0,0|2,1,0]=4 85 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,1,0,0|2,0,1]=4 86 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|2,0,1]=4 87 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|2,0,1]=4 88 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|3,0,0]=4 89 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [0,0,0,1,0,0|2,0,1]=4 90 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|1,0,2]=4 91 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,1,0,0|1,0,1]=3 93 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|3,0,0]=4 94 B11R2.1 NN1N=CC2=C1C=CC=C2 S11721 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,1,0,0|1,1,1]=4 96 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|1,1,1]=4 97 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,1]=4 99 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,1]=4 101 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,1]=4 102 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|1,1,1]=4 103 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,0,0,1,0,0|1,0,2]=4 104 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [0,0,0,1,0,0|2,0,1]=4 105 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [0,0,0,1,0,0|2,0,1]=4 106 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|0,0,1]=3 110 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|1,0,1]=4 111 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,0,1]=4 112 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,0,1]=4 113 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,0,1]=4 114 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|0,0,2]=4 115 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|0,1,1]=4 125 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|0,1,1]=4 131 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|0,1,1]=4 132 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|0,0,2]=4 138 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|0,1,1]=4 145 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|0,1,1]=4 146 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|0,1,1]=4 157 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|0,0,1]=3 160 B10R2.7 C1=CC2=C(C=C1)SN=N2 C74419 [1,0,0,1,0,0|1,0,1]=4 161 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,1,0,0|2,0,0]=4 162 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T70699 [1,0,0,1,0,0|2,0,0]=4 163 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,1,1]=4 164 B8R1.8 O=C=NC1=CSC=C1 30314 [1,0,0,0,1,0|1,1,0]=4