0 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 COCC1=CC=C(O)C=C1 63646 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.1 N#CCC1=CN=C(Br)C=C1 AB10135 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.1 N#CCC1=CN=C(F)C=C1 93599 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.1 N#CCC1=NC=C(N)C=C1 W17291 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=CN=C(CN)N=C1 38455 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 CC1=CN=C(CN)N=C1 72570 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.1 CC1=CN=C(CO)N=C1 38636 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 CC1=NC=C(CN)C=N1 81411 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 W16039 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 A12335 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.20 O=C([O-])CC1=NC=C(Br)C=N1 P16752 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 D81372 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15256 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,1,0,0,0,0|0,0,2]=3 144 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,1,0,0,0,0|0,0,2]=3 145 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,1,0,0,0,0|0,0,2]=3 148 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,1,0,0,0,0|0,0,2]=3 149 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.22 N#C[C@@H](O)C1=CC=C(Br)C=C1 W15228 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,1,0,0,0,0|1,0,2]=4 198 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,1,0,0,0,0|1,0,2]=4 201 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.81 CC1=CC(C)=C(NC=O)C=C1 E70411 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.81 CCCC1=C(O)C=C(O)C=C1 C73634 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.81 COCC1=C(Br)C=C(F)C=C1 N11828 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.81 COCC1=C(F)C=C(N)C=C1 I10129 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.81 COCC1=C(N)C=C(Br)C=C1 CL9392 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 O10665 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.81 ClC1=CC(Cl)=C(CCBr)C=C1 C77752 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.81 OCCC1=C(Cl)C=C(Br)C=C1 F50644 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 CL8845 [0,1,0,0,0,0|1,0,2]=4 211 B11R1.83 C=COC1=CC=C(CO)C=C1 D80867 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [0,1,0,0,0,0|0,0,2]=3 215 B11R1.83 CNCC1=CC=C(C#N)C=C1 C74766 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [0,1,0,0,0,0|0,0,0]=1 217 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.83 COC1=CN=C(CC#N)C=C1 81752 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.83 COC1=NC=C(CCN)C=C1 72625 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.83 N#CC1=CC=C(CCBr)C=C1 26978 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.83 N#CC1=CC=C(CCO)C=C1 30197 [0,1,0,0,0,0|0,0,3]=4 222 B11R1.83 NCCC1=CC=C(C=O)C=C1 51618 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [0,1,0,0,0,0|0,0,3]=4 224 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [0,1,0,0,0,0|0,0,2]=3 225 B11R1.192 CC1=C(Br)C=CC(CC#N)=C1 AB8407 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 75825 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 A12131 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.192 CNCC1=CC(F)=C(F)C=C1 36786 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.192 COCC1=CC(Br)=C(F)C=C1 N10448 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.192 COCC1=CC(N)=C(Br)C=C1 CL9396 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 D79909 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.192 OCCC1=CC(F)=C(F)C=C1 CL9076 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [0,1,0,0,0,0|1,0,2]=4 237 B11R2.34 NC1=CC=C(C2CC2)C=C1 26267 [0,0,0,1,0,0|2,0,1]=4 238 B11R2.34 NC1=CC=C(C2CC2)C=C1 33400 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.36 BrC1=CC2=C(C=C1)CCN2 73495 [0,0,0,1,0,0|2,0,1]=4 241 B11R2.36 BrC1=CC2=C(C=C1)COC2 71931 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,0,0,1,0,0|1,0,1]=3 243 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [0,0,0,1,0,0|2,0,0]=3 244 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [0,0,0,1,0,0|0,1,1]=3 245 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 20529 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.36 CC1=CN=C2C=CNC2=C1 54346 [0,0,0,1,0,0|2,0,1]=4 247 B11R2.36 CC1=CN=C2NC=CC2=C1 25496 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.36 CC1=NC2=C(C=C1)N=CN2 C74433 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.36 CC1=NC2=C(C=C1)NC=C2 82266 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.36 CC1=NC=C2C=CNC2=C1 76378 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.36 CC1=NC=C2NC=CC2=C1 76311 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [0,0,0,1,0,0|2,0,1]=4 254 B11R2.36 ClC1=CC2=C(C=C1)CCN2 F11859 [0,0,0,1,0,0|2,0,1]=4 255 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AB6849 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 W17078 [0,0,0,1,0,0|2,0,1]=4 257 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [0,0,0,1,0,0|2,0,1]=4 258 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [0,0,0,1,0,0|2,0,1]=4 259 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [0,0,0,1,0,0|1,0,2]=4 260 B11R2.36 FC1=CC2=C(C=C1)N=CS2 F14497 [0,0,0,1,0,0|2,1,0]=4 261 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.36 FC1=CC2=C(C=C1)SC=N2 C13797 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [0,0,0,1,0,0|1,1,1]=4 264 B11R2.36 IC1=CC2=C(C=C1)N=CS2 Y11641 [0,0,0,1,0,0|2,1,0]=4 265 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [0,0,0,1,0,0|1,0,2]=4 266 B11R2.36 NC1=CC2=C(C=C1)CNC2 AB9521 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 NC1=CC2=C(C=CO2)C=C1 D70068 [0,0,0,1,0,0|1,0,2]=4 268 B11R2.36 OC1=CC2=C(C=C1)CCN2 C75271 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [0,0,0,1,0,0|1,0,2]=4 270 B11R2.36 OC1=CC2=C(C=C1)CNC2 20927 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.36 OC1=CC2=C(C=C1)CNC2 52281 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.36 OC1=CC2=C(C=C1)CNC2 52301 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.36 OC1=CC2=C(C=C1)N=CO2 D77541 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.36 OC1=CC2=C(C=C1)OC=N2 AC4843 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [0,0,0,1,0,0|3,0,0]=4 276 B11R2.36 OC1=CC2=C(C=C1)SC=N2 C76461 [0,0,0,1,0,0|3,0,0]=4 277 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [0,0,0,1,0,0|1,0,2]=4 278 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,0,0,0,1,0|2,0,1]=4 279 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,0,0,0,1,0|1,0,2]=4 280 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,1,0]=4 284 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,1,0]=4 285 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,1,0]=4 286 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 287 B8R1.3 CC1=CC=C(C)N=N1 S11370 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.3 CC1=NC=C(I)C=C1 C10582 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.3 NC1=CC=C(O)C=C1 C75965 [2,0,0,0,0,0|1,0,1]=4 290 B8R1.3 SC1=CC=C(I)C=C1 F20637 [2,0,0,0,0,0|1,1,0]=4 291 B10R1.3 C#CC1=CC=C(CBr)C=C1 79956 [1,1,0,0,0,0|0,0,2]=4 292 B10R1.3 C#CC1=CC=C(CCl)C=C1 79958 [1,1,0,0,0,0|0,0,2]=4 293 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [1,1,0,0,0,0|0,0,1]=3 295 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [1,1,0,0,0,0|0,0,0]=2 296 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.3 CSC1=NC=C(C=O)C=N1 P10273 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [1,1,0,0,0,0|0,1,0]=3 312 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,1,0,0,0,0|0,0,1]=3 320 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,1,0,0,0,0|0,0,1]=3 321 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [1,1,0,0,0,0|0,0,2]=4 326 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.25 C=CC1=C(Br)C=C(F)C=C1 S10822 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.25 CC1=CC(Br)=NC=C1C=O C77172 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.25 CC1=CC(F)=C(NN)C=C1 D82866 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.25 CC1=CC(F)=C(NN)C=C1 W17784 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.25 CC1=CC(N)=C(CO)C=N1 C72979 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.25 CC1=NC(N)=C(C=O)C=N1 66180 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.25 FC1=C(CBr)C=CC(I)=C1 55991 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.25 FC1=CC(I)=C(CBr)C=C1 56051 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.25 NC1=C(C=O)C=CC(F)=C1 34566 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.25 NC1=CC(Br)=C(C=O)C=C1 C16178 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.25 NC1=CC(Cl)=NC=C1C=O 22929 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.25 NC1=CC(F)=C(C=O)C=C1 AC6806 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.25 NC1=CC(N)=C(C=O)C=C1 C10737 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 C73878 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11612 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.25 NCC1=C(Cl)C=C(Br)C=C1 Y12485 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14725 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 67919 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.25 O=CC1=C(I)C=C(F)C=C1 CL9496 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.25 O=CC1=CN=C(Br)C=C1Cl CL0319 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 95677 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 C76015 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 C15264 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 S10073 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.176 C=CC1=CC(I)=C(O)C=C1 D94289 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,1,0,0,0,0|0,0,1]=3 431 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.176 CN1C=C(C=O)C=CC1=O H11166 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.176 CN1C=CC(CN)=CC1=O 37096 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.176 CN1C=CC(CO)=CC1=O 37252 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 76034 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.176 FC1=C(I)C=CC(CBr)=C1 CL9459 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.176 NCC1=CC(F)=C(Br)C=C1 95673 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.176 NCC1=CC(F)=C(Br)C=C1 CS1629 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.176 NCC1=CC(F)=C(N)C=C1 C90556 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.176 O=CC1=CC(F)=C(I)C=C1 23742 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.176 O=CC1=CC(I)=C(F)C=C1 34606 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|0,0,0]=2 496 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|0,1,0]=3 509 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.54 CC1=CN(CC(=O)O)N=C1 I12012 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.54 CN1C=C(CC(=O)O)C=N1 C77601 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.54 CN1C=NC(CC(=O)O)=C1 P10612 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.54 CN1C=NC(CC(=O)O)=C1 P16507 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,1,0,0,1,0|2,0,0]=4 517 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,2,0,0,0,0|0,0,2]=4 525 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 AR2252 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,2,0,0,0,0|1,1,0]=4 537 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.49 NNC(=O)CC1=CN=C(Cl)C=C1 F12158 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 W12077 [0,2,0,0,0,0|0,0,2]=4 557 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 C71191 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.71 COC1=CC=C(OCCBr)C=C1 F30177 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.71 CSC1=CC=C(OCCN)C=C1 31479 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.385 CC1=C(Br)C=C(SCCO)C=C1 79550 [0,2,0,0,0,0|0,0,2]=4 562 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,2,0,0,0,0|0,0,0]=2 569 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,2,0,0,0,0|0,0,0]=2 570 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,2,0,0,0,0|0,0,1]=3 571 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.19 CC(=O)NC1=CC(Br)=C(Cl)C=C1 W18000 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.19 N=C(N)CC1=CC(Cl)=C(Cl)C=C1 S10695 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 24890 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A11218 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 AB9013 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 CL9560 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.20 C[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69943 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.106 O=S(=O)([O-])CC1=CC=C(F)C=C1 F53362 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 71393 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 D96026 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.233 CC1=C(CC(=O)O)C=CC(N)=C1 72069 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.233 NC(=S)CC1=C(F)C=C(F)C=C1 W19208 [0,2,0,0,0,0|1,1,0]=4 611 B12R1.233 NC1=C(CC(=O)O)C=CC(Br)=C1 98287 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.233 NC1=CC(Br)=CN=C1CC(=O)O 27445 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 CL8759 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 CL9173 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.233 O=C(O)CC1=CC=C(Cl)N=C1Cl D83232 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,2,0,0,0,0|0,0,1]=3 620 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,2,0,0,0,0|0,0,2]=4 623 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,2,0,0,0,0|0,0,2]=4 624 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 74578 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.367 C=C[C@H](N)C1=CC(C)=C(Br)C=C1 N15452 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.367 C=C[C@H](N)C1=CC(C)=C(Br)C=C1 N15453 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.367 C=C[C@H](N)C1=CC(C)=C(Br)C=C1 N15454 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.367 C=C[C@H](N)C1=CC(C)=C(Cl)C=C1 N15448 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.367 C=C[C@H](N)C1=CC(C)=C(Cl)C=C1 N15449 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.367 C=C[C@H](N)C1=CC(C)=C(Cl)C=C1 N15450 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.367 C=C[C@H](N)C1=CC(C)=C(F)C=C1 N15445 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.367 C=C[C@H](N)C1=CC(C)=C(F)C=C1 N15446 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.367 C=C[C@H](N)C1=CC(C)=C(F)C=C1 N15447 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N11061 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12884 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.1703 CC1=CC(C)=C([C@@H](N)CO)C=C1 N11078 [0,2,0,0,0,0|0,0,2]=4 637 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12304 [0,2,0,0,0,0|0,0,2]=4 638 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12305 [0,2,0,0,0,0|0,0,2]=4 639 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12992 [0,2,0,0,0,0|0,0,2]=4 640 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y10891 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y11488 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.114 COC1=CC(Br)=C(CC#N)C=C1 C13399 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 D87952 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.114 COC1=CC(F)=C(CC#N)C=C1 CK2058 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.114 COC1=CC(F)=C(CCN)C=C1 F20047 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 78059 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 W17705 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 25981 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.116 N#CCC1=CC=C(N=C=O)C=C1 D93182 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.288 COC1=C(Cl)C=C(CC#N)C=C1 F20215 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.288 COC1=C(O)C=C(CC#N)C=C1 51447 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.30 CC1=CC(C=O)=C(I)C=C1 H10219 [0,0,1,1,0,0|1,0,1]=4 655 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [1,0,0,1,0,0|1,0,1]=4 656 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [1,0,0,1,0,0|1,0,1]=4 657 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,0]=2 658 B12R2.24 BrC1=CC2=C(C=C1)OCC=C2 Y12222 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,1,0,0|0,0,2]=4 663 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,1,0,1,0,0|0,0,2]=4 664 B12R2.24 CC1=CC2=C(C=C1)NCCN2 D78710 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.24 CC1=CC2=C(C=C1)NCCS2 72217 [0,1,0,1,0,0|0,1,1]=4 666 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|1,0,1]=4 668 B12R2.132 CC1=CC2=C(C=C1)N=CN2C F50516 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|0,0,0]=2 670 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,1,0,0|1,0,0]=3 678 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,1,0,0|1,0,0]=3 683 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.606 CC1=CC2=C(C=C1)N=C(Br)S2 71677 [0,1,0,1,0,0|1,1,0]=4 685 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 W10452 [0,1,0,1,0,0|1,1,0]=4 686 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 52985 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.606 CC1=CC2=C(C=C1)N=C(S)O2 T72123 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.606 CC1=CC2=C(C=C1)N=C(S)S2 W17074 [0,1,0,1,0,0|1,1,0]=4 689 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,1,0,1,0,0|1,0,0]=3 690 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=N2 W10487 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.606 CC1=CC2=C(C=C1)SC(Cl)=N2 C15674 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 W10174 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 D97288 [0,1,0,1,0,0|1,0,0]=3 694 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,1,0,1,0,0|1,0,0]=3 695 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,1,0,1,0,0|1,0,0]=3 698 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 76341 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 83460 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.606 O=C1CC2=C(N=C(F)C=C2)N1 P19241 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 38389 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 39137 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 28804 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.246 CC1=CC(C)=C2NC=CC2=C1 I11445 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.246 CC1=CC(Cl)=C2C=CNC2=C1 C76939 [0,1,0,1,0,0|1,0,1]=4 716 B12R2.246 CC1=CC(N)=C2CCCC2=C1 Y11353 [0,1,0,1,0,0|1,0,1]=4 717 B12R2.246 CC1=CC(N)=C2CCCC2=C1 Y11354 [0,1,0,1,0,0|1,0,1]=4 718 B12R2.246 CC1=CC(O)=C2C=CNC2=C1 I11446 [0,1,0,1,0,0|1,0,1]=4 719 B12R2.9 NCC1=CC=C(C2CC2)C=C1 70989 [0,1,0,1,0,0|1,0,1]=4 720 B12R2.9 OCC1=CC=C(C2CC2)C=C1 51967 [0,1,0,1,0,0|1,0,1]=4 721 B12R2.44 BrCC1=CC2=C(C=C1)OC=N2 O11298 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.44 BrCC1=CC2=C(C=C1)SC=C2 C71069 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.44 COC1=CC2=C(C=C1)CCN2 Y10745 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.44 COC1=CC2=C(C=C1)CNC2 64065 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.44 COC1=CC2=C(C=C1)OC=C2 85079 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.44 COC1=CC2=C(C=C1)OC=N2 AC3817 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.44 COC1=CC2=C(C=C1)SC=C2 63588 [0,1,0,1,0,0|2,0,0]=4 728 B12R2.44 NCC1=CC2=C(C=C1)CCC2 W11761 [0,1,0,1,0,0|1,0,1]=4 729 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Y11717 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.44 NCC1=CC2=C(C=C1)CCO2 N14319 [0,1,0,1,0,0|0,0,2]=4 731 B12R2.44 NCC1=CC2=C(C=C1)CCO2 Y13364 [0,1,0,1,0,0|0,0,2]=4 732 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10452 [0,1,0,1,0,0|0,0,2]=4 733 B12R2.44 OCC1=CC2=C(C=C1)COC2 72635 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 98446 [0,1,0,1,0,0|1,1,0]=4 735 B12R2.44 OCC1=CC2=C(C=C1)NC=N2 30434 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 P10310 [0,1,0,1,0,0|2,0,0]=4 737 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 F13985 [0,1,0,1,0,0|2,0,0]=4 738 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 F18065 [0,1,0,1,0,0|0,1,1]=4 739 B12R2.82 CC1=C(Br)C2=C(C=C1)NC=C2 36394 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.82 CC1=C(C)C2=C(C=C1)N=CN2 D95043 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.82 CC1=C(O)C2=C(C=C1)NC=C2 72363 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.82 CC1=CC=C2CCNC2=C1N P20142 [0,1,0,1,0,0|1,0,1]=4 743 B12R2.100 CC1=C(Br)C=C2NC=CC2=C1 27349 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.100 CC1=C(Cl)C=C2C=CNC2=C1 O11407 [0,1,0,1,0,0|1,0,1]=4 745 B12R2.100 CC1=C(Cl)C=C2NC=CC2=C1 C73105 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.100 CC1=C(F)C=C2C=CNC2=C1 51750 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.100 CC1=C(F)C=C2NC=CC2=C1 P10246 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.100 CC1=CC2=C(C=C1N)NC=C2 I11401 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,1,0|1,0,0]=3 750 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,1,0|1,0,0]=3 751 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,1,0|2,0,0]=4 752 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,1,0|1,0,1]=4 753 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,1,0|2,0,0]=4 754 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,1,0|1,0,0]=3 755 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,1,0|2,0,0]=4 756 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,1,0|2,0,0]=4 757 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,1,0|2,0,0]=4 758 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,1,0|1,0,1]=4 759 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,1,0|1,0,0]=3 760 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,1,0|2,0,0]=4 761 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,1,0|2,0,0]=4 762 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,1,0|2,0,0]=4 763 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,1,0|2,0,0]=4 764 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,1,0|2,0,0]=4 765 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,1,0|2,0,0]=4