0 B11R1.41 CCSC1=C(C=O)C=CC=C1 W12314 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.41 COC1=C(CCN)C=CC=C1 C11486 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.41 COC1=C(CCN)C=CN=C1 F13309 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.41 COC1=C(CCN)C=CN=C1 W19534 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.41 N#CC1=C(CCBr)C=CC=C1 C71089 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.41 N#CCC1=C(CBr)C=CC=C1 C76332 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.41 N#CCC1=C(CCl)C=CC=C1 75268 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,0,0,0,0,0|0,0,0]=1 21 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.20 C#CC1=CC=CN=C1OC C71657 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.20 CNC1=C(C#N)C=CC=C1 C77665 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.20 CNC1=C(CCl)C=CC=C1 D93985 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.20 COC1=C(C#N)C=CN=C1 W19146 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.20 COC1=C(C#N)C=NC=C1 64002 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.20 COC1=C(CBr)C=NC=C1 79192 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.20 COC1=C(CN)C=CN=C1 C73553 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.20 COC1=C(NN)N=CN=C1 H10178 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.20 COC1=CC=CN=C1C=O P10318 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.20 COC1=CC=CN=C1CBr O10505 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.20 COC1=CC=CN=C1CCl 60117 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.20 COC1=CN=CN=C1OC H10157 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.20 COC1=NC=CC=C1CN 37576 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.20 COC1=NC=CC=C1NN D84114 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.20 COC1=NC=CN=C1NN C74005 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.20 COC1=NC=CN=C1OC 21131 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [1,0,0,0,0,0|1,1,1]=4 50 B10R1.20 N#CC1=C(CN)C=CC=C1 A51071 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.20 N#CC1=C(NN)C=CC=C1 C10139 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.20 NCC1=C(CN)C=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.75 CCC1=C(CC(=O)O)C=CC=C1 C15212 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 71805 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] 81711 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10282 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10283 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10315 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11966 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11967 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y12173 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.77 CN[C@@H](C)C1=C(OC)C=CC=C1 Y12190 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 A12272 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y10337 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11070 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11299 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.77 COC1=C([C@@H](O)CN)C=CC=C1 AR2903 [0,1,0,0,0,0|0,0,0]=1 70 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 W10707 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.112 CCOC1=NC=C(Br)C=C1OC C71954 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.112 COC1=C(CC#N)C=CC(F)=C1 CK1025 [0,1,0,0,0,0|0,0,2]=3 73 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.121 O=CC1=C(OCCBr)C=CC=C1 W17985 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 20766 [0,1,0,0,0,0|0,0,2]=3 77 B12R1.268 COC1=C(CCN)C=C(F)C=C1 I11946 [0,1,0,0,0,0|0,0,0]=1 78 B12R1.283 CC(=O)C1=C(CC#N)C=CC=C1 W16908 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 Y10278 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 52097 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,0,0,1,0,0|2,0,1]=4 82 B12R2.1 NCC1=CSC2=C1C=CC=C2 AC2201 [0,0,0,1,0,0|0,1,2]=4 83 B12R2.1 NCC1=CSC2=C1C=CC=C2 D94984 [0,0,0,1,0,0|0,1,2]=4 84 B12R2.1 NCC1=NNC2=C1C=CC=C2 26320 [0,0,0,1,0,0|2,0,1]=4 85 B12R2.1 NCC1=NNC2=C1C=CC=C2 C71652 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [0,0,0,1,0,0|1,0,0]=2 87 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,0,0,1,0,0|2,0,1]=4 88 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.1 OC[C@H]1COC2=C1C=CN=C2 F12475 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,1,0,0|0,0,0]=1 97 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,1,0,0|0,0,0]=1 98 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,1,0,0|0,0,0]=1 99 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [0,0,0,1,0,0|1,0,0]=2 105 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.41 C1=CC2=C(C=C1)SCCNC2 52662 [0,0,0,1,0,0|2,1,0]=4 109 B12R2.315 COC1=C2C=CNC2=CN=C1 P11513 [0,0,0,1,0,0|1,0,2]=4 110 B12R2.315 COC1=C2C=NNC2=NC=C1 F17576 [0,0,0,1,0,0|2,0,1]=4 111 B12R2.315 COC1=C2CNCC2=CC=C1 36595 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.315 COC1=C2CNCC2=CC=C1 Y13501 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.315 COC1=C2N=CNC2=CC=C1 C74404 [0,0,0,1,0,0|1,0,1]=3 114 B12R2.315 COC1=C2SC=NC2=CC=C1 F13989 [0,0,0,1,0,0|1,0,2]=4 115 B12R2.315 COC1=CC=CC2=C1C=CS2 I11382 [0,0,0,1,0,0|1,0,2]=4 116 B12R2.315 COC1=CC=CC2=C1N=CO2 D83924 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.315 COC1=NC=CC2=C1C=CN2 76147 [0,0,0,1,0,0|1,0,2]=4 118 B12R2.315 N#CC1=C2CCNC2=CC=C1 90572 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.315 O=CC1=C2CCOC2=CC=C1 F31107 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.315 OCC1=C2CCNC2=CC=C1 26617 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.2048 COC1=C([C@@H]2CO2)C=CC=C1 P17977 [0,0,0,1,0,0|1,0,0]=2 132 B12R2.2048 O=CC1=C(C2CC2)C=CC=C1 D77069 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.2048 OCC1=C(C2CC2)C=CC=C1 O10045 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.8 BrCCC1=CC=NC=C1 C71689 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 ClCCC1=CC=NC=C1 O11064 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 NCCC1=NC=CC=N1 P15951 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 NCCC1=NC=CN=C1 AR1061 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 NCCC1=NC=NC=C1 P18517 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 NNCC1=CC=CN=C1 78930 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 NNCC1=CC=NC=C1 37009 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 NNCC1=CC=NC=C1 BL009189 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 NNCC1=NC=CC=C1 78929 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|1,0,1]=4 145 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 CC1=C(CO)C=NC=C1 38669 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.15 CC1=C(NN)C=CN=C1 F15970 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 CC1=CC=CN=C1CN C72913 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 CC1=NC=CC=C1CN 72802 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.15 CC1=NC=CC=C1CN AB7634 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.15 CC1=NC=CN=C1CN E70300 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 CC1=NC=CN=C1CN P19746 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.15 CCC1=C(O)C=CC=N1 71246 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.15 CCC1=CC=CN=C1Br D80252 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 CCC1=CC=CN=C1N 55791 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 CNC1=CC=CN=C1N 94808 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 CNC1=NC=CC=C1N 72351 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 COC1=C(Br)C=CN=C1 26564 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 COC1=C(I)C=CN=C1 D82954 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 COC1=C(N)C=CN=C1 35474 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 COC1=C(O)C=NC=C1 79066 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.15 COC1=NC=CC=C1C C73664 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.15 COC1=NC=NC=C1N 24306 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.15 COC1=NC=NC=C1N 36696 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [2,0,0,0,0,0|1,1,0]=4 176 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 NCC1=C(F)C=CC=N1 37501 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 NCC1=C(F)C=CC=N1 71993 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 NCC1=C(F)C=NC=C1 26837 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 NCC1=C(F)C=NC=C1 78901 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.15 NCC1=CC=CN=C1Br D82416 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 NCC1=CC=CN=C1Cl 51113 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.15 NCC1=CC=CN=C1N 89358 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 NCC1=CC=CN=C1O 55767 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.15 NCC1=NC=CC=C1N AC4283 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [2,0,0,0,0,0|2,0,0]=4 197 B11R1.13 CC1=C(Br)C=CC=C1CC#N CL9699 [1,1,0,0,0,0|0,0,2]=4 198 B11R1.13 CC1=C(F)C=CC=C1CC#N 22476 [1,1,0,0,0,0|0,0,2]=4 199 B11R1.13 CC1=C(I)C=CC=C1CC#N CL9701 [1,1,0,0,0,0|0,0,2]=4 200 B11R1.13 NCCC1=CC=CC(F)=C1F Y13621 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.13 OCCC1=CC=CC(F)=C1F A11216 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.17 NCCCN1C=CC=CC1=O F15206 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.81 CCCC1=C(O)C=C(O)C=C1 C73634 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 O10665 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.81 ClC1=CC(Cl)=C(CCBr)C=C1 C77752 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.81 OCCC1=C(Cl)C=C(Br)C=C1 F50644 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 CL8845 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.182 C=CCC1=C(O)C=CC(C)=C1 D96076 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.182 OCCC1=C(F)C=CC(F)=C1 A50721 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.182 OCCC1=C(O)C=CC(Br)=C1 W15209 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [1,1,0,0,0,0|0,0,0]=2 234 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 CL9497 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.37 CCC1=C(C=O)C=CC(Cl)=C1 CK2098 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [1,1,0,0,0,0|0,0,0]=2 268 B11R1.37 COC1=C(C=O)C=C(I)C=C1 63781 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.37 COC1=C(C=O)C=C(O)C=C1 C74824 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.37 COC1=C(CBr)C=C(Cl)C=C1 72125 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 D80185 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 71375 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.37 COC1=C(CN)C=C(Br)C=C1 F20543 [1,1,0,0,0,0|0,0,0]=2 274 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 C74800 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 O10127 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12548 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.37 COC1=C(CN)C=C(N)C=C1 O10877 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.37 COC1=C(CN)C=CC(Br)=N1 N10742 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y11170 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 20565 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.37 COC1=C(CO)C=CC(Br)=N1 N10745 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.37 COC1=C(CO)C=CC(O)=C1 C71627 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 W17153 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.37 COC1=C(OC)C=C(N)N=C1 S10461 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.37 COC1=C(SC)C=C(Br)C=C1 F15582 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.37 COC1=C(SC)C=CC(N)=C1 72379 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.37 COC1=CC(Cl)=NC=C1CO D75692 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.37 COC1=NC=C(Br)C=C1CO P11193 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 39100 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.53 CN(C)C1=C(CN)C=CC=C1 C16014 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.53 CN(C)C1=C(CO)C=CC=C1 W18685 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.53 COC1=C(C(=N)N)C=CC=C1 71596 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 52750 [1,1,0,0,0,0|0,0,0]=2 306 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 F16921 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 N10418 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10162 [1,1,0,0,0,0|0,0,0]=2 309 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10512 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12201 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.53 NCC1=C(B(O)O)C=CC=C1 N11807 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.53 NCC1=C(C(F)F)C=CC=C1 73094 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.53 NCC1=C(C(F)F)C=CC=C1 AC1045 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.265 COC1=C(F)C=CC=C1CO 26176 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.265 COC1=C(OC)C(Cl)=NC=C1 D83309 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.265 COC1=CC=CC(I)=C1OC 71532 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.265 COC1=NC=CC(O)=C1OC W10568 [1,1,0,0,0,0|2,0,0]=4 320 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 CL9125 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.51 COC1=C(CC(=O)O)C=CC(Cl)=C1 CL9333 [0,2,0,0,0,0|1,0,1]=4 322 B13R1.51 COC1=C(CC(=O)O)C=CC(F)=C1 CL9317 [0,2,0,0,0,0|1,0,1]=4 323 B13R1.51 COC1=C(OC(F)F)C=CC(Br)=C1 W10427 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.89 COC1=C([C@@H](C)C(=O)O)C=CC=C1 O10458 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 F15705 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 N11150 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 Y11043 [0,2,0,0,0,0|0,0,0]=2 328 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 Y11044 [0,2,0,0,0,0|0,0,0]=2 329 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 Y13401 [0,2,0,0,0,0|0,0,0]=2 330 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 C75623 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 AB22059 [0,2,0,0,0,0|0,0,1]=3 332 B13R1.115 COC1=C(CC(=O)O)C=CC=C1C CL9517 [0,2,0,0,0,0|1,0,1]=4 333 B13R1.380 CCOC1=C(CC(=O)O)C=CC=C1 A12778 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.2209 COC1=C(C(=O)CBr)C=C(Cl)C=C1 O10669 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.1249 COC1=CC(OC)=C(CNN)C=C1 74947 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.84 CCCNCC1=C(OC)C=CC=C1 C78481 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.84 CNCCOC1=C(OC)C=CC=C1 75248 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.84 COC1=C(OCCC=O)C=CC=C1 D93563 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.90 COC1=C(CCC(=O)O)C=CC=N1 72713 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.90 COC1=C(CNC(C)C)C=CC=C1 C78446 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.90 COC1=C(OCC(C)=O)C=CC=C1 W13435 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.90 COC1=CC=CN=C1CCC(=O)O 72712 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.485 CCCOC1=C(CCO)C=CC=C1 P17051 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.485 CCOC1=C(CNNC)C=CC=C1 30194 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.485 CCOC1=C(OCCN)C=CC=C1 C76145 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.572 CCCOC1=C([C@H](C)N)C=CC=C1 Y12172 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.3910 CCOC1=CC=CC(F)=C1OCC 75819 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.355 CCCC1=C(OC)C=CC(OC)=C1 Y14699 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.355 COC1=CC(CCO)=C(OC)C=C1 F20266 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.381 CS(=O)(=O)C1=C(CCN)C=CC=C1 AC1367 [0,2,0,0,0,0|0,1,0]=3 351 B13R1.3911 CNCC1=CC=CC(OC)=C1OC 23799 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.280 COC1=CC(CN)=C(Br)C=C1 Y11539 [0,0,1,1,0,0|1,0,1]=4 353 B11R1.280 COC1=CC(CN)=C(Br)C=C1 Y11661 [0,0,1,1,0,0|1,0,1]=4 354 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [0,0,1,1,0,0|2,0,0]=4 355 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [1,0,0,1,0,0|2,0,0]=4 356 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [1,0,0,1,0,0|2,0,0]=4 357 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|0,0,2]=4 358 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,1,0,0|1,0,0]=3 359 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,1,0,0|1,0,0]=3 360 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,1,0,0|1,0,0]=3 361 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|1,0,0]=3 362 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,1,0,0|2,0,0]=4 363 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [1,0,0,1,0,0|2,0,0]=4 364 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [1,0,0,1,0,0|2,0,0]=4 366 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [1,0,0,1,0,0|1,0,1]=4 369 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [1,0,0,1,0,0|1,0,0]=3 370 B11R2.106 ClC1=C2CCNC2=NC=C1 P15393 [1,0,0,1,0,0|2,0,0]=4 371 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.106 ClC1=NC=CC2=C1CCN2 38710 [1,0,0,1,0,0|2,0,0]=4 373 B11R2.106 ClC1=NC=CC2=C1CCN2 83058 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.106 IC1=C2CCNC2=NC=C1 P20936 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.106 NC1=CC=CC2=C1CCN2 O11831 [1,0,0,1,0,0|1,0,0]=3 378 B11R2.106 O=C1C=CC=C2NCCN12 O10575 [1,0,0,1,0,0|1,0,1]=4 379 B11R2.106 OC1=C2CCNC2=CC=C1 76585 [1,0,0,1,0,0|0,0,0]=2 380 B11R2.106 OC1=C2N=NNC2=CC=C1 H10523 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.106 OC1=C2NCCC2=CC=C1 D82764 [1,0,0,1,0,0|2,0,0]=4 382 B11R2.106 OC1=C2OCOC2=CC=C1 Y13605 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|1,0,1]=4 384 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 385 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [1,0,0,1,0,0|2,0,0]=4 390 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [1,0,0,1,0,0|2,0,0]=4 394 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,1,0,1,0,0|1,0,1]=4 395 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,1,0,1,0,0|1,0,1]=4 396 B13R2.581 COC1=C2C=C(C)NC2=CC=C1 52361 [0,1,0,1,0,0|0,0,2]=4 397 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 35530 [0,1,0,1,0,0|0,0,1]=3 398 B13R2.581 COC1=CC=CC2=C1N=C(Cl)N2 F15889 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.581 COC1=CC=CC2=C1NC(=O)N2 F15888 [0,1,0,1,0,0|1,0,1]=4 400 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,1,0,1,0,0|1,0,0]=3 402 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.32 O=C1C2=C(C=CC=C2)OC[C@@H]1Br F31375 [0,1,0,1,0,0|1,0,1]=4 404 B13R2.91 COC1=C(C2(N)CC2)C=CC=C1 E10041 [0,1,0,1,0,0|1,0,0]=3 405 B13R2.582 COC1=C2C(=CC=C1)CC[C@@H]2N N11280 [0,1,0,1,0,0|1,0,0]=3 406 B13R2.582 COC1=C2C(=CC=C1)CC[C@@H]2N Y11364 [0,1,0,1,0,0|1,0,0]=3 407 B13R2.582 COC1=C2C(=CC=C1)NN=C2Br I11281 [0,1,0,1,0,0|1,0,1]=4 408 B13R2.582 COC1=C2C(=O)COC2=CC=C1 AC6681 [0,1,0,1,0,0|1,0,1]=4 409 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [0,1,0,1,0,0|1,0,1]=4 410 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 C74345 [0,1,0,1,0,0|1,0,0]=3 411 B13R2.1613 COC1=C2CCCCC2=CC=C1 72829 [0,1,0,1,0,0|1,0,0]=3 412 B13R2.1613 COC1=C2CCNCC2=CC=C1 90366 [0,1,0,1,0,0|0,0,0]=2 413 B13R2.1613 COC1=C2CNCCC2=CC=C1 W10083 [0,1,0,1,0,0|1,0,0]=3 414 B13R2.1613 COC1=C2NCCCC2=CC=C1 84599 [0,1,0,1,0,0|1,0,0]=3 415 B13R2.1613 COC1=C2OCCCC2=CC=C1 76444 [0,1,0,1,0,0|1,0,0]=3 416 B13R2.1613 N#CC1=C2CCNCC2=CC=C1 66523 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19863 [0,1,0,1,0,0|1,0,0]=3 418 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19864 [0,1,0,1,0,0|1,0,0]=3 419 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 P10372 [0,1,0,1,0,0|1,0,1]=4 420 B13R2.5252 N[C@H]1CCCCC2=C1C=CC=C2 20645 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 Y10940 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 71397 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 81809 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.5252 O[C@H]1CCCOC2=C1C=CC=C2 A12238 [0,1,0,1,0,0|1,0,0]=3 425 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 26005 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.162 CN1CCCC2=C1C=C(O)C=C2 D83822 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.162 C[C@@H]1NCCC2=C1C=C(Br)C=C2 F30913 [0,1,0,1,0,0|1,0,0]=3 428 B13R2.162 O=C1NCCC2=C1C=C(F)C=C2 55446 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 55444 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.623 COC1=C2C=CNC2=CC(Br)=C1 82314 [0,1,0,1,0,0|0,0,2]=4 431 B13R2.623 COC1=C2C=CNC2=CC(C)=C1 I11318 [0,1,0,1,0,0|0,0,2]=4 432 B13R2.623 COC1=C2C=CNC2=CC(Cl)=C1 S10308 [0,1,0,1,0,0|0,0,2]=4 433 B13R2.623 COC1=C2C=NNC2=CC(I)=C1 C76942 [0,1,0,1,0,0|1,0,1]=4 434 B13R2.3683 C[C@H]1COC2=C(C=CC(F)=C2)N1 88563 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [0,1,0,1,0,0|1,0,0]=3 436 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [0,1,0,1,0,0|1,0,0]=3 438 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,1,0,1,0,0|1,0,0]=3 439 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,1,0,1,0,0|1,0,0]=3 440 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.1 BrCCC1=NOC2=C1C=CC=C2 72251 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.1 NCCC1=NNC2=C1C=CC=C2 27672 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.1 NCCN1N=NC2=C1C=CC=C2 28107 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.1 NCCN1N=NC2=C1C=CC=C2 C74395 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.1 NCC[C@H]1CNC2=C1C=CC=C2 26250 [0,1,0,1,0,0|1,0,0]=3 446 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 D70659 [0,1,0,1,0,0|1,0,1]=4 447 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10628 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10630 [0,1,0,1,0,0|1,0,0]=3 451 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.573 COC1=C2CC[C@H](N)C2=CC=C1 N13193 [0,1,0,1,0,0|0,0,0]=2 454 B13R2.573 COC1=C2CC[C@H](N)C2=CC=C1 Y12592 [0,1,0,1,0,0|0,0,0]=2 455 B13R2.573 COC1=CC=CC2=C1CNC2=O 82149 [0,1,0,1,0,0|1,0,1]=4 456 B13R2.573 COC1=CC=CC2=C1OCC2=O F13956 [0,1,0,1,0,0|1,0,1]=4 457 B13R2.573 N#CC1=C2CC[C@H](N)C2=CC=C1 Y10660 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.573 N#CC1=C2CC[C@H](N)C2=CC=C1 Y12804 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.292 CNCC1=C2OCOC2=CC=C1 Y11270 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,1,0,1,0,0|1,0,1]=4 461 B13R2.155 C[C@H]1COC2=C(C=C(Br)C=C2)N1 51780 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,1,0,1,0,0|1,0,0]=3 463 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,1,0,1,0,0|1,0,0]=3 464 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,1,0,1,0,0|1,0,0]=3 465 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.155 O[C@@H]1CNC2=C(C=C(Br)C=C2)C1 D96766 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.611 COC1=C2C=CNC2=C(Br)C=C1 O11636 [0,1,0,1,0,0|0,0,2]=4 468 B13R2.611 COC1=C2C=CNC2=C(Cl)C=C1 94243 [0,1,0,1,0,0|0,0,2]=4 469 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 Y11141 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 Y11355 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,1,0,1,0,0|1,0,0]=3 472 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 34654 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.5569 C[C@H](N)C1=C2CCCC2=CC=C1 Y12661 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.5569 C[C@H](N)C1=C2CCCC2=CC=C1 Y12662 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.5569 C[C@H](N)C1=C2CCCC2=CC=C1 Y13302 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.9 OC[C@H]1COC2=C1C=CN=C2Cl F12592 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 51687 [0,1,0,1,0,0|1,0,1]=4 478 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 W15862 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.342 CC1=CC=CC2=C1CCNC2=O 28056 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 C74186 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.342 O=C1NCCC2=C1C=CC=C2O F11844 [0,1,0,1,0,0|2,0,0]=4 482 B13R3.2262 C1=CC2=C(C=C1)C3(CC3)CN2 84867 [0,0,0,2,0,0|2,0,0]=4 483 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,2,0,0|2,0,0]=4 484 B9R1.33 CC1=C(CCN)SC=N1 W16954 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.33 CN1C=CC=C1CCN 70855 [1,0,0,0,1,0|1,0,0]=3 486 B9R1.33 CN1C=CC=C1CCO F13299 [1,0,0,0,1,0|2,0,0]=4 487 B9R1.33 CN1C=NC=C1CCN 70377 [1,0,0,0,1,0|2,0,0]=4