0 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.13 O=C(O)CC1=NC=NN1 H11339 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.13 O=C(O)CN1C=CC=N1 P41032 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.13 O=C(O)CN1C=CN=C1 K41347 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.13 O=C(O)CN1C=CN=C1 K68355 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.13 O=C(O)CN1C=CN=N1 T61261 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.13 O=C(O)CN1C=NC=N1 T62390 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.13 O=C(O)CN1N=CC=N1 T40138 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,0,0|0,1,1]=3 16 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,0,0,0|1,1,0]=3 19 B8R1.8 CNCC1=CSC=C1 M43396 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 N#CCC1=CC=CS1 T39260 [1,0,0,0,0,0|1,1,1]=4 21 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,0,0|1,1,1]=4 22 B8R1.8 NNCC1=CC=CS1 H13973 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,0,0|0,1,2]=4 24 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 P46407 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 A43153 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 A43158 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.54 CC(=O)NC1=CC=C(Br)S1 B42894 [0,1,0,0,0,0|1,1,0]=3 31 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,1,0,0,0,0|2,1,0]=4 32 B10R1.54 CC(=O)NC1=NC=C(Br)S1 A2519 [0,1,0,0,0,0|2,1,0]=4 33 B10R1.54 CC(=O)NC1=NNC(C)=C1 M43357 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 X24459 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.54 CC1=CN(CC(=O)O)N=C1 M43224 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.54 NC1=CC(CC(=O)O)=NN1 A5389 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.54 NC1=CN(CC(=O)O)N=C1 A41351 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.54 NC1=NC(CC(=O)O)=CS1 A39195 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.54 NC1=NC=C(CC(=O)O)S1 A11834 [0,1,0,0,0,0|2,1,0]=4 40 B10R1.54 O=C(O)CC1=CSC(Br)=N1 B40833 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 C12127 [0,1,0,0,0,0|2,1,0]=4 42 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 C11230 [0,1,0,0,0,0|2,1,0]=4 43 B10R1.54 O=C(O)CN1C=C(Br)C=N1 B40892 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 C40901 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [0,1,0,0,0,0|3,0,0]=4 46 B10R2.2 O=C1NC2=C(N1)SC=C2 T40779 [0,0,0,1,0,0|2,1,0]=4 47 B10R2.71 O=C1CC2C=CC(C1)O2 X12128 [0,0,0,1,0,0|0,0,2]=3 48 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,1,0|1,0,0]=2 49 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,1,0|0,1,0]=2 50 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,1,0|2,0,0]=3 51 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,1,0|1,0,0]=2 52 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,1,0|2,0,0]=3 53 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,1,0|2,0,0]=3 54 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,1,0|2,0,0]=3 57 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,1,0|2,0,0]=3 58 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,1,0|1,1,0]=3 59 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,1,0|2,0,0]=3 60 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,0,0,0,1,0|3,0,0]=4 61 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,1,0|1,0,1]=3 62 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,0,0,0,1,0|1,1,1]=4 63 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,1,0|0,0,2]=3 64 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,0,0,0,1,0|1,1,1]=4 65 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,0,0,0,1,0|3,0,0]=4 66 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,0,1,0|2,0,0]=3 67 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,0,1,0|2,1,0]=4 68 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,0,0,0,1,0|3,0,0]=4 69 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,0,0,0,1,0|1,2,0]=4 70 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,1,0|1,1,0]=3 71 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,1,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,1,0|1,0,0]=2 73 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,1,0|1,1,0]=3 74 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,0,1,0|2,0,0]=3 75 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,0,1,0|2,1,0]=4 76 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,0,1,0|2,0,0]=3 77 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,0,1,0|2,1,0]=4 78 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,0,1,0|3,0,0]=4 80 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,1,0|3,0,0]=4 81 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,1,0|3,0,0]=4 82 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,0,1,0|3,0,0]=4 83 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,1,0|2,1,0]=4 84 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,0,1,0|3,0,0]=4 85 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,0,1,0|3,0,0]=4 86 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,0,1,0|3,0,0]=4 87 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,1,0|1,1,0]=3 88 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,1,0|1,1,0]=3 89 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,0,1,0|2,0,0]=3 90 B8R1.7 OB(O)C1=CC=CO1 F3580 [0,0,0,0,1,0|2,0,1]=4 91 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,1|1,0,0]=2 92 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,1|1,0,0]=2 93 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,1|2,0,0]=3 94 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,0,0,0,0,1|2,0,0]=3 96 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,1|2,0,1]=4 97 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,0,1|3,0,0]=4 98 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,1|2,0,0]=3 105 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,0,1|2,0,0]=3 113 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,0,0,0,1|0,0,0]=1 117 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [0,0,0,0,0,1|0,1,0]=2 118 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,0,1|1,0,0]=2 120 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,0,1|1,1,0]=3 121 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,0,0,0,0,1|1,0,1]=3 124 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,0,0,0,0,1|1,1,1]=4 125 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 N4996 [0,0,0,0,0,1|2,0,1]=4 126 B7R1.1 C=CC1=CC=CS1 V38168 [2,0,0,0,0,0|0,1,1]=4 127 B7R1.1 CCC1=NC=CN1 E68629 [2,0,0,0,0,0|2,0,0]=4 128 B7R1.1 CCC1=NN=CO1 E37555 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.1 COC1=CC=CS1 M41123 [2,0,0,0,0,0|1,1,0]=4 130 B7R1.1 CSC1=NC=CO1 M40164 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.1 ClCC1=NC=CO1 C40107 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.1 N#CC1=CC=CO1 F40652 [2,0,0,0,0,0|1,0,1]=4 133 B7R1.1 NCC1=CC=CN1 P41359 [2,0,0,0,0,0|2,0,0]=4 134 B7R1.1 NCC1=CC=CS1 A12813 [2,0,0,0,0,0|1,1,0]=4 135 B7R1.1 NCC1=CC=NO1 K40323 [2,0,0,0,0,0|2,0,0]=4 136 B7R1.1 NCC1=CN=CO1 X11178 [2,0,0,0,0,0|2,0,0]=4 137 B7R1.1 NCC1=CN=CO1 X17340 [2,0,0,0,0,0|2,0,0]=4 138 B7R1.1 O=CC1=CC=CN1 P64891 [2,0,0,0,0,0|1,0,0]=3 139 B7R1.1 O=CC1=CC=CS1 T68614 [2,0,0,0,0,0|0,1,0]=3 140 B7R1.1 O=CC1=CC=NO1 K40060 [2,0,0,0,0,0|1,0,0]=3 141 B7R1.1 O=CC1=CN=CO1 X11928 [2,0,0,0,0,0|1,0,0]=3 142 B7R1.1 O=CC1=CN=CS1 T2161 [2,0,0,0,0,0|1,1,0]=4 143 B7R1.1 O=CC1=CNC=C1 P25022 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.1 O=CC1=COC=C1 F65465 [2,0,0,0,0,0|2,0,0]=4 145 B7R1.1 O=CC1=CSC=C1 T12697 [2,0,0,0,0,0|2,0,0]=4 146 B7R1.1 O=CC1=CSC=N1 T2159 [2,0,0,0,0,0|2,0,0]=4 147 B7R1.1 O=CC1=NC=CN1 F2135 [2,0,0,0,0,0|2,0,0]=4 148 B7R1.1 O=CC1=NC=CS1 T2877 [2,0,0,0,0,0|1,1,0]=4 149 B7R1.1 O=CC1=NNC=C1 P23454 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.1 O=CC1=NOC=C1 I0114 [2,0,0,0,0,0|2,0,0]=4 151 B7R1.1 OCC1=CC=CS1 T12815 [2,0,0,0,0,0|0,1,1]=4 152 B7R1.1 OCC1=CC=NO1 K40159 [2,0,0,0,0,0|1,0,1]=4 153 B7R1.1 OCC1=CN=CO1 X14033 [2,0,0,0,0,0|1,0,1]=4 154 B7R1.1 OCC1=NC=CO1 X14019 [2,0,0,0,0,0|1,0,1]=4 155 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,1,1,0,0,0|1,0,0]=3 156 B9R1.7 CC1=CC=C(CCO)O1 M43716 [1,1,0,0,0,0|0,0,2]=4 157 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [1,1,0,0,0,0|0,1,1]=4 158 B9R1.11 COC(=O)C1=CC=CO1 M39270 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.12 CCOCC1=CC=CO1 E38338 [1,1,0,0,0,0|0,0,1]=3 160 B9R1.12 ICCCC1=CC=CS1 K46278 [1,1,0,0,0,0|0,1,1]=4 161 B9R1.12 O=CC=CC1=CC=CO1 F45509 [1,1,0,0,0,0|0,0,1]=3 162 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [1,1,0,0,0,0|0,0,1]=3 163 B9R1.12 OCCCC1=CC=CS1 T36724 [1,1,0,0,0,0|0,1,1]=4 164 B9R1.19 CS(=O)(=O)C1=CC=CS1 M12814 [0,1,0,0,1,0|1,1,0]=4 165 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,0,1,0|0,1,0]=3 166 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,0,1,0|0,1,0]=3 167 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,0,1,0|0,1,0]=3 169 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,1,0|0,1,0]=3 170 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,1,0,0,1,0|1,1,0]=4 171 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,1,0,0,1,0|1,1,0]=4 172 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [0,1,0,0,1,0|2,0,0]=4 174 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,1,0,0,1,0|2,0,0]=4 175 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,1,0|1,0,0]=3 176 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,1,0,0,1,0|1,1,0]=4 177 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,1,0,0,1,0|1,1,0]=4 178 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,1,0|2,0,0]=4 179 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,1,0,0,1,0|2,0,0]=4 180 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,1,0,0,1,0|2,0,0]=4 181 B9R1.35 CC(=O)N1C=C(I)C=N1 I30035 [0,1,0,0,1,0|2,0,0]=4 182 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [0,1,0,0,1,0|2,0,0]=4 183 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,0,1,0|2,0,0]=4 184 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,0,1,0|1,0,0]=3 185 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,0,1,0|1,1,0]=4 186 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,0,1,0|2,0,0]=4 187 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,0,1,0|2,0,0]=4 188 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [0,1,0,0,1,0|2,0,0]=4 189 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [0,1,0,0,1,0|2,0,0]=4 190 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,1,0,0,1,0|1,0,0]=3 191 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [0,1,0,0,1,0|1,1,0]=4 192 B9R1.35 NC(=O)C1=CC(O)=NO1 H40077 [0,1,0,0,1,0|2,0,0]=4 193 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [0,1,0,0,1,0|2,0,0]=4 194 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [0,1,0,0,1,0|1,1,0]=4 195 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [0,1,0,0,1,0|1,1,0]=4 196 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [0,1,0,0,1,0|2,0,0]=4 197 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,1,0,0,1,0|1,0,0]=3 198 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [0,1,0,0,1,0|1,1,0]=4 199 B9R1.35 O=C(O)C1=CC(Br)=NO1 I24762 [0,1,0,0,1,0|2,0,0]=4 200 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [0,1,0,0,1,0|1,1,0]=4 201 B9R1.35 O=C(O)C1=CC(O)=NO1 H37322 [0,1,0,0,1,0|2,0,0]=4 202 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,0,1,0|1,0,0]=3 203 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,1,0,0,1,0|1,1,0]=4 204 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,0,1,0|1,0,0]=3 205 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,1,0,0,1,0|1,1,0]=4 206 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,1,0,0,1,0|1,1,0]=4 207 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,1,0,0,1,0|1,1,0]=4 208 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,1,0|1,1,0]=4 210 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,1,0|2,0,0]=4 211 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,1,0|2,0,0]=4 212 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,0,1,0|2,0,0]=4 213 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,0,1,0|2,0,0]=4 215 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,0,1,0|1,0,0]=3 216 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,0,1,0|2,0,0]=4 217 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,1,0,0,1,0|2,0,0]=4 218 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,0,1,0|1,1,0]=4 219 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,0,1,0|2,0,0]=4 220 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,0,1,0|2,0,0]=4 221 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,1,0,0,1,0|1,0,0]=3 222 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,0,1,0|1,1,0]=4 223 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,0,1,0|1,1,0]=4 224 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,0,1,0|1,1,0]=4 225 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,0,1,0|1,1,0]=4 226 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,0,1|1,0,0]=3 227 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,0,1|1,0,0]=3 228 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,0,1|1,0,0]=3 229 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 B66580 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 B8150 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 C26767 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,1|1,0,1]=4 253 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 A46932 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,1,0,0,0,1|1,0,0]=3 263 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,1,0,0,0,1|1,0,0]=3 264 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,1,0,0,0,1|1,0,0]=3 265 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,1,0,0,0,1|1,0,0]=3 268 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,1,0,0,0,1|1,0,0]=3 269 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,1,0,0,0,1|1,0,0]=3 271 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.40 O=C(CCl)NC1=NC=CC=N1 C64575 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,0,1|1,0,0]=3 279 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,0,1|1,0,0]=3 281 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,0,0,0,1|1,0,0]=3 296 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,0,0,0,1|1,0,0]=3 297 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,0,0,0,1|1,0,0]=3 298 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 C3776 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 B45691 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 X39275 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 A46342 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 B45689 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 C45700 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 B38302 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 C62039 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 B45345 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 C38947 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 F15877 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,1,0,0,0,1|1,0,0]=3 325 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O A46422 [0,1,0,0,0,1|1,1,0]=4 326 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O A46420 [0,1,0,0,0,1|1,1,0]=4 328 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 A46421 [0,1,0,0,0,1|1,1,0]=4 329 B11R1.30 CCOC(=O)CC1=CC=CN1 E14510 [0,2,0,0,0,0|1,0,0]=3 330 B11R1.30 CCOC(=O)CC1=NC=CS1 E46416 [0,2,0,0,0,0|1,1,0]=4 331 B11R1.30 CCOC(=O)CC1=NNC=C1 E25544 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.39 COC(=O)CC1=CN=C(Cl)S1 M42862 [0,2,0,0,0,0|1,1,0]=4 333 B11R1.39 COC(=O)CC1=CN=C(N)S1 A1574 [0,2,0,0,0,0|1,1,0]=4 334 B11R1.39 COC(=O)CC1=CSC(N)=N1 M24727 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 M15342 [0,2,0,0,0,0|1,1,0]=4 336 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 M15324 [0,2,0,0,0,0|1,1,0]=4 337 B11R1.39 COC(=O)CN1C=C(Br)C=N1 M43033 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.39 COC(=O)CN1C=C(N)C=N1 M43363 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.228 COC(=O)CC1=CC=CN1C M46931 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,0,1,1,0,0|2,0,0]=4 341 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,1,0,1|2,0,0]=4 342 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,0,1|1,0,0]=3 343 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,1,0,1|2,0,0]=4 344 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,1,0,1|2,0,0]=4 345 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,1,0,1|2,0,0]=4 346 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,1,0,1|2,0,0]=4 347 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,1,0,1|2,0,0]=4 348 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [0,0,0,1,0,1|2,0,0]=4 349 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,0,0,1,0,1|2,0,0]=4 350 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,1|1,0,1]=4 351 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,1|1,0,1]=4 352 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,1|2,0,0]=4 353 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,0,0,0,0,1|2,0,0]=4 354 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,0,0,0,0,1|2,0,0]=4 355 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,0,0,0,1|2,0,0]=4 356 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,1|2,0,0]=4 357 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,1|1,0,1]=4 358 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,1|2,0,0]=4 359 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,2|2,0,0]=4 360 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,2|1,0,1]=4 361 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,0,2|2,0,0]=4 362 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,0,2|2,0,0]=4 363 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,0,2|2,0,0]=4 364 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,0,2|2,0,0]=4 365 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,0,2|2,0,0]=4 366 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,0,2|2,0,0]=4 367 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,0,0,0,2|2,0,0]=4 368 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,0,2|2,0,0]=4 369 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,0,0,0,2|2,0,0]=4 370 B11R1.172 O=C(O)CCCC1=CC=CS1 T69302 [0,0,0,0,0,2|1,1,0]=4