0 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,0,0,0|1,1,0]=2 1 B8R1.8 CCCC1=NC=CN1 P68616 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCCC1=NC=CS1 P43394 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.8 CCNC1=NC=CS1 E41366 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.8 CCOC1=NC=CS1 E41172 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.8 CNCC1=CSC=C1 M43396 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 COCN1C=CN=C1 M41195 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 N#CCC1=CC=CS1 T39260 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.8 N#CCC1=CN=CN1 I7680 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 N#CCC1=CSC=C1 T12833 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 N#CCC1=NC=CS1 T10963 [0,0,0,0,0,0|3,1,0]=4 12 B8R1.8 N#CCC1=NNC=C1 P12902 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,0,0,0|2,1,0]=3 14 B8R1.8 NCCC1=CN=CS1 T41396 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.8 NCCC1=CSC=C1 T1049 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 NCCC1=CSC=C1 T10491 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 NCCC1=NC=CN1 K41400 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 NCCN1C=CC=C1 P41427 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 NNCC1=CC=CS1 H13973 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.8 NNCC1=CSC=C1 H13972 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,0,0,0|2,1,0]=3 22 B8R1.8 OCCC1=CN=CN1 K41362 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 OCCC1=CNC=N1 I10449 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 OCCC1=CSC=C1 T12832 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 OCCN1C=CC=N1 P41188 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|0,1,2]=4 29 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|0,1,2]=4 30 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|2,1,0]=4 35 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|0,2,0]=3 36 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|1,2,0]=4 38 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|1,1,1]=4 46 B7R1.1 N#CC1=CC=NO1 X67351 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|1,1,0]=3 49 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,0,0|2,1,0]=4 67 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|1,1,1]=4 74 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|0,2,1]=4 75 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|1,1,1]=4 76 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|1,1,1]=4 77 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|0,2,0]=3 78 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,0,0|1,1,0]=3 79 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,0,0|1,1,0]=3 81 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,0,0|1,2,0]=4 82 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,0,0|2,1,0]=4 83 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,0,0|1,1,0]=3 89 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,0,0|1,2,0]=4 90 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,0,0|2,1,0]=4 91 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,0,0|2,1,0]=4 92 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,0,0|2,1,0]=4 93 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.7 CCCC1=CC(N)=NN1 P41489 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,0,0|1,1,0]=3 96 B9R1.7 CCCC1=NOC(N)=C1 P41430 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.7 CCCN1C=C(Br)C=N1 B9822 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.7 CNCC1=CN(C)C=N1 M16460 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.7 COCC1=CC(N)=NN1 A11618 [0,1,0,0,0,0|2,1,0]=4 100 B9R1.7 N#CCC1=CC=C(Br)S1 B61534 [0,1,0,0,0,0|2,1,0]=4 101 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,1,0,0,0,0|2,1,0]=4 102 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,0,0,0|1,1,1]=4 104 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,1,0,0,0,0|0,1,1]=3 105 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,0,0,0|0,2,1]=4 106 B9R1.11 COC(=O)C1=CN=CO1 M40997 [0,1,0,0,0,0|1,1,1]=4 107 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,1,0,0,0,0|1,1,1]=4 108 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,0,0|2,1,0]=4 110 B9R1.12 CCCCC1=CSC=C1 B47048 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.12 CCCCC1=NC=CN1 B43788 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,0,0,0|0,1,0]=2 113 B9R1.12 ICCCC1=CC=CS1 K46278 [0,1,0,0,0,0|1,1,0]=3 114 B9R1.12 O=CC=CC1=CC=CO1 F45509 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [0,1,0,0,0,0|1,0,2]=4 116 B9R1.12 OCCCC1=CC=CS1 T36724 [0,1,0,0,0,0|1,1,0]=3 117 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,1,0,0,0,0|2,1,0]=4 118 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,1,0,0,0,0|2,1,0]=4 120 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.7 CCOC(=O)CSC E40386 [0,0,1,0,0,0|1,0,2]=4 122 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [0,0,0,1,0,0|3,0,0]=4 123 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [0,0,0,1,0,0|3,0,0]=4 124 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,0,0|3,0,0]=4 125 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [0,0,0,1,0,0|3,0,0]=4 126 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,1,0,0|3,0,0]=4 127 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,1,0,0|3,0,0]=4 128 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,1,0,0|3,0,0]=4 129 B9R2.3 C1=NNC2=C1CNC2 T12684 [0,0,0,1,0,0|3,0,0]=4 130 B9R2.3 C1=NNC2=C1CNC2 T31019 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,0,0,0,0,1|2,0,1]=4 133 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,0,0,1|2,0,0]=3 134 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,0,0,1|2,0,0]=3 135 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.8 CNCC1=CN=CN=C1 N11436 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.8 CNCC1=CN=NC=C1 M12238 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.8 CNCC1=CN=NC=C1 M27035 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,0,0,0,0,1|2,0,0]=3 143 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.8 COCC1=NC=CC=C1 M46377 [0,0,0,0,0,1|1,1,0]=3 146 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.8 N#CCC1=NC=CC=N1 P7449 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.8 N#CCC1=NN=CC=C1 P7452 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,0,0,0,0,1|2,1,0]=4 167 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,0,0,0,0,1|2,0,1]=4 173 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,0,0,1|3,0,0]=4 174 B6R0.6 CCC\C=C\CO H41550 [1,0,1,0,0,0|0,0,2]=4 175 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|0,0,2]=4 176 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|0,0,2]=4 177 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|1,1,0]=4 178 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,0]=3 179 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|0,1,0]=3 180 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|1,0,0]=3 181 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|1,1,0]=4 182 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|1,1,0]=4 186 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|1,1,0]=4 191 B6R1.2 IC1=NC=CO1 I11270 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|0,1,1]=4 195 B6R1.2 O=C1NC=CO1 X39828 [2,0,0,0,0,0|1,1,0]=4 196 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,1,0,0,0,0|0,1,0]=3 198 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,1,0,0,0,0|0,1,1]=4 199 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,1,0,0,0,0|1,1,0]=4 201 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|0,1,0]=3 204 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,1,0,0,0,0|1,1,0]=4 206 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,1,0,0,0,0|1,1,0]=4 207 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,1,0,0,0,0|1,1,0]=4 208 B8R1.1 CCC1=NN=C(N)O1 A12274 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.1 CCC1=NNC(N)=C1 A9777 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.1 CCC1=NOC(N)=C1 E41189 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 CCN1C=C(Br)C=N1 B9823 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.1 CCN1C=C(N)C=N1 A12746 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.1 COC1=CC(N)=NO1 M40185 [1,1,0,0,0,0|1,1,0]=4 214 B8R1.1 CSC1=CN=C(N)S1 M40191 [1,1,0,0,0,0|1,1,0]=4 215 B8R1.1 CSC1=NC(Br)=CS1 T2262 [1,1,0,0,0,0|1,1,0]=4 216 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [1,1,0,0,0,0|1,1,0]=4 218 B8R1.1 N#CC1=CC=C(Br)O1 B40544 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.1 NCC1=CC(Br)=CS1 B41112 [1,1,0,0,0,0|1,1,0]=4 220 B8R1.1 NCC1=CC=C(Br)S1 A12757 [1,1,0,0,0,0|1,1,0]=4 221 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [1,1,0,0,0,0|1,1,0]=4 222 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [1,1,0,0,0,0|1,1,0]=4 223 B8R1.1 NCC1=CC=C(F)S1 F8124 [1,1,0,0,0,0|1,1,0]=4 224 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [1,1,0,0,0,0|0,1,1]=4 225 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [1,1,0,0,0,0|0,1,1]=4 226 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [1,1,0,0,0,0|0,1,1]=4 227 B8R1.1 OCC1=CC(Br)=CS1 B12759 [1,1,0,0,0,0|0,2,0]=4 228 B8R1.1 OCC1=CC(Br)=NO1 B2177 [1,1,0,0,0,0|1,1,0]=4 229 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [1,1,0,0,0,0|0,2,0]=4 230 B8R1.1 OCC1=CC=C(Br)S1 B12756 [1,1,0,0,0,0|0,2,0]=4 231 B8R1.1 OCC1=CC=C(Br)S1 B41016 [1,1,0,0,0,0|0,2,0]=4 232 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [1,1,0,0,0,0|0,2,0]=4 233 B8R1.1 OCC1=CC=C(F)S1 F8123 [1,1,0,0,0,0|0,2,0]=4 234 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,1,0,0,0,0|0,1,1]=4 236 B8R1.7 CC(=O)C1=CC=NO1 K40990 [1,1,0,0,0,0|1,0,1]=4 237 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,1,0,0,0,0|0,0,0]=2 238 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.7 CC(C)C1=NNC=C1 P9834 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.7 CC(C)N1C=CC=N1 P41426 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,1,0,0,0,0|0,1,0]=3 242 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,1,0,0,0,0|0,0,0]=2 243 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,1,0,0,0,0|0,1,0]=3 244 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [1,1,0,0,0,0|1,1,0]=4 247 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [1,1,0,0,0,0|1,1,0]=4 248 B8R1.7 O=C(O)C1=CC=CO1 F38499 [1,1,0,0,0,0|0,1,1]=4 249 B8R1.7 OB(O)C1=CC=CO1 F3580 [1,1,0,0,0,0|1,1,0]=4 250 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.11 CCN1N=CC=C1N E10472 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.11 CN1C=CC=C1CN M41429 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,1,0,0,0,0|1,1,0]=4 255 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [1,1,0,0,0,0|0,1,1]=4 256 B8R1.11 OCC1=C(Br)C=CS1 B14083 [1,1,0,0,0,0|0,2,0]=4 257 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [1,1,0,0,0,0|0,2,0]=4 258 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,1,0,0,0,1|1,1,0]=4 268 B10R1.1 COCC1=NC=C(Br)C=N1 B20026 [0,1,0,0,0,1|1,1,0]=4 269 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,1,0,0,0,1|1,1,0]=4 275 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.10 COCC1=CC(Cl)=NC=N1 C61748 [0,1,0,0,0,1|1,1,0]=4 281 B10R1.10 COCC1=CC=NC(Cl)=N1 C43072 [0,1,0,0,0,1|1,1,0]=4 282 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,1,0,0,0,1|1,1,0]=4 295 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,2,0,0,0,0|1,0,0]=3 304 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [0,2,0,0,0,0|0,1,1]=4 305 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [0,2,0,0,0,0|0,1,1]=4 306 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,2,0,0,0,0|0,1,1]=4 307 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [0,2,0,0,0,0|0,1,1]=4 308 B10R1.11 N#CCC(=O)C1=CC=CO1 F68571 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.149 COC(=O)C1=C(C)C=CO1 M46253 [0,2,0,0,0,0|0,1,1]=4 310 B10R1.149 COC(=O)C1=C(N)C=CO1 M14191 [0,2,0,0,0,0|0,1,1]=4 311 B10R1.149 COC(=O)C1=C(N)C=CO1 M29739 [0,2,0,0,0,0|0,1,1]=4 312 B10R1.21 CCCCCC1=CC=CS1 P50457 [0,2,0,0,0,0|1,1,0]=4 313 B10R1.21 NCCSCC1=CC=CO1 A3034 [0,2,0,0,0,0|0,0,0]=2 314 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,2,0,0,0,0|0,1,0]=3 315 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [0,2,0,0,0,0|0,1,0]=3 316 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,2,0,0,0,0|1,0,1]=4 317 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,0,1,1,0,0|2,0,0]=4 318 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,0,0,1,0,1|1,1,0]=4 319 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,0,0,1,0,1|1,1,0]=4 320 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [0,0,0,1,0,1|2,0,0]=4 321 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,0,0,1,0,1|2,0,0]=4 322 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [0,0,0,1,0,1|2,0,0]=4 323 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [0,0,0,1,0,1|1,1,0]=4 324 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,1|2,0,0]=4 325 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,0,0,1,0,1|2,0,0]=4 326 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,0,0,1,0,1|2,0,0]=4 327 B10R2.7 C1=NC=C2CNCC2=N1 D14103 [0,0,0,1,0,1|2,0,0]=4 328 B10R2.14 BrC1=NOC(C2CC2)=C1 B37649 [0,1,0,1,0,0|2,0,0]=4