0 B8R1.1 C#CC1=NC(C)=CS1 E42681 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.1 CC1=CNC(C#N)=N1 M40951 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CC1=CSC(C#N)=N1 M8139 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,0,0,0,0,0|3,1,0]=4 22 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,0,0,0,0,0|3,1,0]=4 26 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,0,0,0,0,0|1,1,0]=2 28 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,0,0,0,0,0|3,1,0]=4 31 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.1 CCC1=NN=C(N)O1 A12274 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CC[N+]1=CN(C)C=C1 E38121 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CC[N+]1=CN(C)C=C1 E41405 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CC[N+]1=CN(C)C=C1 E43585 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CC[N+]1=CN(C)C=C1 E46615 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CN1C=CC(C#N)=N1 M12751 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CNC1=CN(C)N=C1 D41402 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 COC1=NC(Br)=CS1 B2259 [0,0,0,0,0,0|3,1,0]=4 44 B8R1.1 COC1=NC=C(Br)S1 B2563 [0,0,0,0,0,0|2,2,0]=4 45 B8R1.1 CSC1=CN=C(N)S1 M40191 [0,0,0,0,0,0|2,1,0]=3 46 B8R1.1 CSC1=NC(Br)=CS1 T2262 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 CSC1=NC(N)=NN1 M62161 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,0,0,0,0,0|3,1,0]=4 49 B8R1.1 N#CC1=CC=C(Br)O1 B40544 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.1 N#CC1=CC=C(Br)S1 B7699 [0,0,0,0,0,0|3,1,0]=4 51 B8R1.1 N#CC1=CC=C(Cl)S1 C7716 [0,0,0,0,0,0|3,1,0]=4 52 B8R1.1 N#CC1=CC=C(F)S1 C7719 [0,0,0,0,0,0|3,1,0]=4 53 B8R1.1 N#CC1=CC=C(I)S1 K40542 [0,0,0,0,0,0|3,1,0]=4 54 B8R1.1 N#CC1=CC=C(N)S1 A40782 [0,0,0,0,0,0|3,1,0]=4 55 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,0,0,0,0,0|3,1,0]=4 56 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,0,0,0,0,0|3,1,0]=4 57 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,0,0,0,0,0|3,1,0]=4 58 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,0,0,0,0,0|3,1,0]=4 59 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [0,0,0,0,0,0|3,1,0]=4 62 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [0,0,0,0,0,0|3,1,0]=4 64 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,0,0,0,0,0|3,1,0]=4 65 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,0,0,0,0,0|3,1,0]=4 66 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,0,0,0,0,0|3,1,0]=4 67 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,0,0,0,0,0|3,1,0]=4 68 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|1,1,1]=4 69 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|1,1,1]=4 70 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|0,2,0]=3 74 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,0,0|2,1,0]=4 75 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|1,2,0]=4 76 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.1 N#CC1=CC=NO1 X67351 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|2,1,0]=4 92 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,0,0,0|1,0,0]=2 98 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,0,0,0|1,1,0]=3 99 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,0,0,0|0,1,0]=2 100 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,0,0,0|1,1,0]=3 101 B7R1.2 CC1=CN(C)N=C1 D69464 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,0,0,0,0,0|2,1,0]=4 103 B7R1.2 CC1=CN=C(C)S1 D38993 [1,0,0,0,0,0|1,1,0]=3 104 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,0,0,0,0,0|2,1,0]=4 105 B7R1.2 CC1=CN=C(N)S1 A69715 [1,0,0,0,0,0|2,1,0]=4 106 B7R1.2 CC1=CN=C(N)S1 M69725 [1,0,0,0,0,0|2,1,0]=4 107 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.2 CC1=CNC(C)=N1 D41187 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.2 CC1=CNC(I)=N1 K40123 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.2 CC1=COC(N)=N1 A2053 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.2 CC1=CSC(C)=N1 D41174 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.2 CC1=CSC(N)=C1 A0597 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,0,0,0,0,0|2,1,0]=4 117 B7R1.2 CC1=NC=C(I)N1 K40124 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.2 CC1=NC=C(N)S1 M40189 [1,0,0,0,0,0|2,1,0]=4 119 B7R1.2 CC1=NN(C)C=C1 D4115 [1,0,0,0,0,0|2,0,0]=3 120 B7R1.2 CC1=NN=C(Br)O1 B62443 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.2 CC1=NN=C(C)N1 D0366 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.2 CC1=NN=C(C)O1 D13454 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.2 CC1=NN=C(N)O1 M5216 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,0,0,0|2,1,0]=4 125 B7R1.2 CC1=NNC(=S)O1 M62067 [1,0,0,0,0,0|2,0,1]=4 126 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,0,0,0|2,1,0]=4 127 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 CN1C=CC(I)=N1 M13226 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 CN1C=CC(N)=N1 A3263 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.2 CN1C=C[N+](C)=C1 D23670 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.2 ClC1=CC=C(Br)S1 B39971 [1,0,0,0,0,0|2,1,0]=4 133 B7R1.2 ClC1=CC=C(I)S1 C39974 [1,0,0,0,0,0|2,1,0]=4 134 B7R1.2 OC1=CC=C(Br)S1 B40069 [1,0,0,0,0,0|1,2,0]=4 135 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,0,0|2,1,0]=4 137 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,1,0,0,0,0|0,2,0]=3 138 B9R1.21 N#CC1=CC=C(CBr)S1 B42220 [0,1,0,0,0,0|2,1,0]=4 139 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.21 OCC1=CC=C(CO)O1 F69147 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,0,0,0|2,1,0]=4 147 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,0,0|1,1,0]=3 148 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 CC1=CC=C(B(O)O)O1 M4380 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 CC1=CC=C(B(O)O)S1 M4600 [0,1,0,0,0,0|2,1,0]=4 153 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,0,0,0|2,1,0]=4 156 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.3 COC=CC(=O)OC M39186 [0,0,1,0,0,0|1,1,1]=4 164 B7R0.3 CO\C=C\C(=O)OC M41228 [0,0,1,0,0,0|1,1,1]=4 165 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.4 CCOC=CC(=O)O E41226 [0,0,1,0,0,0|3,0,0]=4 167 B7R0.4 COC\C=C\C(=O)O M63576 [0,0,1,0,0,0|1,1,1]=4 168 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [0,0,0,0,0,1|2,0,1]=4 169 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [0,0,0,0,0,1|2,0,1]=4 170 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.1 CC1=CC=C(NN)N=N1 H23440 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.1 CC1=NN=C(C#N)C=C1 M0552 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,0,0,0,0,1|2,0,0]=3 202 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [0,0,0,0,0,1|2,0,0]=3 205 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.1 CNC1=NN=C(Br)C=C1 B41068 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.1 CNC1=NN=C(Cl)C=C1 C41078 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.1 COC1=CC=C(S)C=C1 M46276 [0,0,0,0,0,1|2,1,0]=4 213 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [0,0,0,0,0,1|2,1,0]=4 214 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [0,0,0,0,0,1|2,1,0]=4 215 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [0,0,0,0,0,1|2,1,0]=4 216 B9R1.1 COC1=CN=C(F)C=C1 F42925 [0,0,0,0,0,1|2,1,0]=4 217 B9R1.1 COC1=CN=C(I)C=C1 I5931 [0,0,0,0,0,1|2,1,0]=4 218 B9R1.1 COC1=CN=C(N)C=C1 A10497 [0,0,0,0,0,1|2,1,0]=4 219 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [0,0,0,0,0,1|2,1,0]=4 220 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,0,0,0,0,1|1,1,0]=3 221 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [0,0,0,0,0,1|2,1,0]=4 222 B9R1.1 COC1=NC=C(F)C=C1 F24011 [0,0,0,0,0,1|2,1,0]=4 223 B9R1.1 COC1=NC=C(I)C=C1 K42935 [0,0,0,0,0,1|2,1,0]=4 224 B9R1.1 COC1=NC=C(N)C=C1 A12692 [0,0,0,0,0,1|2,1,0]=4 225 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,0,0,0,0,1|2,1,0]=4 226 B9R1.1 COC1=NN=C(Br)C=C1 B36769 [0,0,0,0,0,1|2,1,0]=4 227 B9R1.1 COC1=NN=C(C)C=C1 M43203 [0,0,0,0,0,1|1,1,0]=3 228 B9R1.1 COC1=NN=C(Cl)C=C1 C12386 [0,0,0,0,0,1|2,1,0]=4 229 B9R1.1 COC1=NN=C(I)C=C1 K40944 [0,0,0,0,0,1|2,1,0]=4 230 B9R1.1 COC1=NN=C(N)C=C1 A12790 [0,0,0,0,0,1|2,1,0]=4 231 B9R1.1 COC1=NN=C(N)C=C1 M62955 [0,0,0,0,0,1|2,1,0]=4 232 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [0,0,0,0,0,1|2,0,0]=3 233 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [0,0,0,0,0,1|2,0,0]=3 234 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 CSC1=CN=C(Cl)N=C1 C40880 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [0,0,0,0,0,1|2,0,0]=3 238 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.1 CSC1=NC=C(Br)C=N1 B2361 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 CSC1=NC=C(Cl)C=N1 C23410 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 CSC1=NC=C(O)C=N1 M41048 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,0,0,0,0,1|2,0,1]=4 243 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.2 CC1=CC(C#N)=CN=C1 M45202 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.2 CC1=CC(C#N)=NC=C1 M3710 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.2 CC1=CC=NC(C#N)=N1 M14134 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.2 CNC1=CC(Br)=NC=C1 B25633 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.2 CNC1=CC=NC(Cl)=N1 C41077 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.2 CNC1=NC=CC(Br)=N1 B41064 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.2 CNC1=NC=CC(Cl)=N1 C22466 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,0,0,0,0,1|2,1,0]=4 302 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [0,0,0,0,0,1|2,1,0]=4 303 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [0,0,0,0,0,1|2,1,0]=4 304 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,0,0,0,0,1|1,1,0]=3 305 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [0,0,0,0,0,1|2,1,0]=4 306 B9R1.2 COC1=CC(F)=NC=C1 F21874 [0,0,0,0,0,1|2,1,0]=4 307 B9R1.2 COC1=CC(N)=NC=C1 A43189 [0,0,0,0,0,1|2,1,0]=4 308 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,0,0,0,0,1|2,1,0]=4 309 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,0,0,0,0,1|2,1,0]=4 310 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,0,0,0,0,1|2,1,0]=4 311 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,0,0,0,0,1|2,1,0]=4 312 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,0,0,0,0,1|2,1,0]=4 313 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,0,0,0,0,1|2,1,0]=4 314 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,0,0,0,0,1|2,1,0]=4 315 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,0,0,0,0,1|2,1,0]=4 316 B9R1.2 COC1=CC=NC(Br)=N1 B38735 [0,0,0,0,0,1|2,1,0]=4 317 B9R1.2 COC1=CC=NC(Cl)=N1 C40928 [0,0,0,0,0,1|2,1,0]=4 318 B9R1.2 COC1=CC=NC(I)=N1 K40943 [0,0,0,0,0,1|2,1,0]=4 319 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [0,0,0,0,0,1|2,1,0]=4 320 B9R1.2 COC1=CN=CC(I)=N1 I2676 [0,0,0,0,0,1|2,1,0]=4 321 B9R1.2 COC1=CN=CC(N)=C1 A14114 [0,0,0,0,0,1|2,1,0]=4 322 B9R1.2 COC1=CN=CC(N)=C1 A7930 [0,0,0,0,0,1|2,1,0]=4 323 B9R1.2 COC1=CN=CC(O)=C1 M43136 [0,0,0,0,0,1|2,1,0]=4 324 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,0,0,0,1|1,1,0]=3 325 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,0,0,0,0,1|1,1,0]=3 326 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,0,0,0,0,1|1,1,0]=3 327 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,0,0,0,0,1|2,1,0]=4 328 B9R1.2 COC1=NC(N)=CC=N1 A4018 [0,0,0,0,0,1|2,1,0]=4 329 B9R1.2 COC1=NC(N)=CN=C1 A8995 [0,0,0,0,0,1|2,1,0]=4 330 B9R1.2 COC1=NC(N)=NC=C1 M0076 [0,0,0,0,0,1|2,1,0]=4 331 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [0,0,0,0,0,1|2,1,0]=4 332 B9R1.2 COC1=NC=CC(Br)=N1 B5967 [0,0,0,0,0,1|2,1,0]=4 333 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,0,0,0,0,1|1,1,0]=3 334 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [0,0,0,0,0,1|2,1,0]=4 335 B9R1.2 COC1=NC=CC(Cl)=N1 C40930 [0,0,0,0,0,1|2,1,0]=4 336 B9R1.2 COC1=NC=CC(F)=C1 F42927 [0,0,0,0,0,1|2,1,0]=4 337 B9R1.2 COC1=NC=CC(I)=C1 K60534 [0,0,0,0,0,1|2,1,0]=4 338 B9R1.2 COC1=NC=CC(N)=C1 M3947 [0,0,0,0,0,1|2,1,0]=4 339 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,0,0,0,0,1|2,1,0]=4 340 B9R1.2 COC1=NC=NC(C)=C1 M43206 [0,0,0,0,0,1|2,1,0]=4 341 B9R1.2 CSC1=CC(Br)=NC=N1 B40875 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.2 CSC1=CC(Cl)=NC=N1 C2896 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.2 CSC1=CC(I)=NC=N1 I10030 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,0,0,0,0,1|2,0,0]=3 345 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,0,0,0,0,1|2,0,0]=3 346 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,0,0,0,0,1|2,0,0]=3 347 B9R1.2 CSC1=CC=NC(Cl)=N1 C2667 [0,0,0,0,0,1|2,0,0]=3 348 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,0,0,0,0,1|2,0,0]=3 349 B9R1.2 CSC1=NC=CC(Br)=N1 B40874 [0,0,0,0,0,1|2,0,0]=3 350 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [0,0,0,0,0,1|2,0,0]=3 351 B9R1.2 CSC1=NC=CC(Cl)=N1 C2497 [0,0,0,0,0,1|2,0,0]=3 352 B9R1.2 CSC1=NC=CC(I)=N1 I2674 [0,0,0,0,0,1|2,0,0]=3 353 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,1,0,0,0|0,1,1]=4 355 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|0,1,1]=4 356 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|1,0,1]=4 357 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|1,1,0]=4 358 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,0]=3 359 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|0,1,0]=3 360 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|1,0,0]=3 361 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|1,1,0]=4 362 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 363 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|2,0,0]=4 364 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|2,0,0]=4 365 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|1,1,0]=4 366 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|2,0,0]=4 367 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 368 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 369 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 370 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|1,1,0]=4 371 B6R1.2 IC1=NC=CO1 I11270 [2,0,0,0,0,0|2,0,0]=4 372 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|2,0,0]=4 373 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|2,0,0]=4 374 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|0,1,1]=4 375 B6R1.2 O=C1NC=CO1 X39828 [2,0,0,0,0,0|1,1,0]=4 376 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,1,0,0,0,0|1,1,0]=4 378 B8R1.7 CC(=O)C1=CC=NO1 K40990 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,1,0,0,0,0|1,1,0]=4 381 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,1,0,0,0,0|1,1,0]=4 383 B8R1.7 O=C(O)C1=CC=CO1 F38499 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.7 OB(O)C1=CC=CO1 F3580 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.8 CCCC1=CC=CS1 P43744 [1,1,0,0,0,0|1,1,0]=4 386 B8R1.8 CNCC1=CC=CS1 M43398 [1,1,0,0,0,0|1,1,0]=4 387 B8R1.8 NCCC1=CC=CS1 T12818 [1,1,0,0,0,0|1,1,0]=4 388 B8R1.8 OCCC1=CC=CS1 T12817 [1,1,0,0,0,0|1,1,0]=4 389 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [1,1,0,0,0,0|1,1,0]=4 392 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,1,0,0,0,0|1,1,0]=4 393 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,1,0,0,0,0|0,0,1]=3 394 B8R1.18 CC1=CC(C)=NN1C T41425 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,1,0,0,0,0|1,1,0]=4 396 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.18 CC1=NN(C)C=C1I K41135 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.18 CC1=NN(C)C=C1N A10473 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.18 CC1=NN(C)C=C1N D41244 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [1,1,0,0,0,0|1,1,0]=4 406 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [0,1,0,0,0,1|1,1,0]=4 414 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [0,1,0,0,0,1|1,1,0]=4 415 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [0,1,0,0,0,1|1,1,0]=4 416 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [0,1,0,0,0,1|1,1,0]=4 417 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [0,1,0,0,0,1|1,1,0]=4 418 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [0,1,0,0,0,1|1,1,0]=4 419 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [0,1,0,0,0,1|1,1,0]=4 420 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [0,1,0,0,0,1|1,1,0]=4 421 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [0,1,0,0,0,1|1,1,0]=4 422 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [0,1,0,0,0,1|1,1,0]=4 423 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [0,1,0,0,0,1|1,1,0]=4 424 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [0,1,0,0,0,1|1,1,0]=4 425 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [0,1,0,0,0,1|1,1,0]=4 426 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [0,1,0,0,0,1|1,0,1]=4 427 B10R1.3 CSC1=NC=C(CO)C=N1 M36801 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,1,0,0,0,1|1,0,1]=4 436 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [0,1,0,0,0,1|1,1,0]=4 440 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [0,1,0,0,0,1|1,1,0]=4 441 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [0,1,0,0,0,1|1,1,0]=4 442 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [0,1,0,0,0,1|1,1,0]=4 443 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [0,1,0,0,0,1|1,1,0]=4 444 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [0,1,0,0,0,1|1,1,0]=4 445 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [0,1,0,0,0,1|1,1,0]=4 446 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [0,1,0,0,0,1|1,1,0]=4 448 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [0,1,0,0,0,1|1,1,0]=4 449 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [0,1,0,0,0,1|1,1,0]=4 450 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [0,1,0,0,0,1|1,1,0]=4 451 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [0,1,0,0,0,1|1,1,0]=4 452 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [0,1,0,0,0,1|1,1,0]=4 453 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [0,1,0,0,0,1|1,1,0]=4 454 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [0,1,0,0,0,1|1,1,0]=4 455 B10R1.176 CSC1=NC=C(C)C(=O)N1 M43258 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 C43008 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.2 CNC1=C(N)C(C)=CC=C1 D46971 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.2 COC1=C(Br)C(C)=CC=C1 B49438 [0,1,0,0,0,1|1,1,0]=4 459 B10R1.2 COC1=C(Br)C(C)=CC=N1 B12856 [0,1,0,0,0,1|1,1,0]=4 460 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [0,1,0,0,0,1|1,1,0]=4 461 B10R1.2 COC1=C(N)C(C)=CC=C1 M46896 [0,1,0,0,0,1|1,1,0]=4 462 B10R1.2 COC1=C(O)C(C)=CC=C1 M46825 [0,1,0,0,0,1|1,1,0]=4 463 B10R1.8 CCC1=CC(C)=CC(O)=C1 E50268 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.8 CCC1=CC(O)=NC(C)=N1 E43643 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C43280 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.8 COC1=CC(C)=CC(Br)=C1 B49436 [0,1,0,0,0,1|1,1,0]=4 467 B10R1.8 COC1=CC(C)=CC(C)=C1 M50277 [0,1,0,0,0,1|1,1,0]=4 468 B10R1.8 COC1=CC(C)=CC(Cl)=N1 C38224 [0,1,0,0,0,1|1,1,0]=4 469 B10R1.8 COC1=CC(C)=CC(F)=C1 F49465 [0,1,0,0,0,1|1,1,0]=4 470 B10R1.8 COC1=CC(Cl)=NC(C)=N1 C32260 [0,1,0,0,0,1|1,1,0]=4 471 B10R1.8 COC1=CC(N)=CC(C)=C1 M46900 [0,1,0,0,0,1|1,1,0]=4 472 B10R1.8 COC1=NC(=O)C=C(C)N1 M43223 [0,1,0,0,0,1|1,1,0]=4 473 B10R1.8 COC1=NC(C)=CC(Br)=C1 B46171 [0,1,0,0,0,1|1,1,0]=4 474 B10R1.8 COC1=NC(C)=CC(C)=N1 M43634 [0,1,0,0,0,1|1,1,0]=4 475 B10R1.8 COC1=NC(C)=CC(Cl)=C1 C37303 [0,1,0,0,0,1|1,1,0]=4 476 B10R1.8 COC1=NC(C)=CC(N)=C1 M43639 [0,1,0,0,0,1|1,1,0]=4 477 B10R1.8 COC1=NC(C)=NC(C)=C1 M43636 [0,1,0,0,0,1|1,1,0]=4 478 B10R1.8 COC1=NC(C)=NC(N)=C1 M61760 [0,1,0,0,0,1|1,1,0]=4 479 B10R1.8 COC1=NC(N)=CC(C)=N1 M43355 [0,1,0,0,0,1|1,1,0]=4 480 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 C43007 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 C8046 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.8 CSC1=NC(=O)C=C(C)N1 M43259 [0,1,0,0,0,1|1,0,0]=3 483 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 C6191 [0,1,0,0,0,1|1,0,0]=3 484 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 D68141 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.8 CSC1=NC(N)=CC(C)=N1 M43373 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.8 CSC1=NC(N)=CC(Cl)=N1 A15940 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.8 CSC1=NC(N)=CC(N)=N1 M41215 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.8 CSC1=NC(O)=CC(N)=N1 A41156 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.8 CSC1=NC(O)=CC(O)=N1 M64959 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.8 CSC1=NC(O)=NC(C)=C1 M43255 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [0,1,0,0,0,1|1,1,0]=4 493 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [0,1,0,0,0,1|1,1,0]=4 497 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [0,1,0,0,0,1|1,1,0]=4 498 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [0,1,0,0,0,1|1,1,0]=4 499 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [0,1,0,0,0,1|1,1,0]=4 500 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [0,1,0,0,0,1|1,1,0]=4 501 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [0,1,0,0,0,1|1,1,0]=4 502 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [0,1,0,0,0,1|1,1,0]=4 503 B10R1.30 COC1=NC(C)=CC=C1N A67537 [0,1,0,0,0,1|1,1,0]=4 504 B10R1.30 COC1=NC(C)=CN=C1N M26266 [0,1,0,0,0,1|1,1,0]=4 505 B10R1.30 COC1=NC(C)=NC=C1N M43356 [0,1,0,0,0,1|1,1,0]=4 506 B10R1.30 CSC1=C(Br)C=NC(Cl)=N1 B15502 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.30 CSC1=C(F)C=NC(Cl)=N1 C26024 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.30 CSC1=C(N)C=CC(Br)=C1 B69348 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.172 CNC1=CC=CC(OC)=N1 M43638 [0,1,0,0,0,1|1,1,0]=4 522 B10R1.172 CNC1=NC=CC(CO)=N1 M63073 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [0,1,0,0,0,1|1,1,0]=4 524 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [0,1,0,0,0,1|1,1,0]=4 525 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [0,1,0,0,0,1|1,1,0]=4 526 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [0,1,0,0,0,1|1,1,0]=4 527 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,1,0,0,0,1|1,1,0]=4 528 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [0,1,0,0,0,1|1,1,0]=4 529 B10R1.172 COC1=CC(OC)=NC=C1 D46390 [0,1,0,0,0,1|1,1,0]=4 530 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [0,1,0,0,0,1|1,1,0]=4 531 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [0,1,0,0,0,1|1,1,0]=4 532 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [0,1,0,0,0,1|1,1,0]=4 533 B10R1.172 COC1=CC=CC(OC)=N1 D39418 [0,1,0,0,0,1|1,1,0]=4 534 B10R1.172 COC1=CC=NC(OC)=N1 D68887 [0,1,0,0,0,1|1,1,0]=4 535 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [0,1,0,0,0,1|1,1,0]=4 536 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [0,1,0,0,0,1|1,1,0]=4 537 B10R1.172 COC1=CN=CC(OC)=C1 D28467 [0,1,0,0,0,1|1,1,0]=4 538 B10R1.172 COC1=CN=CC(OC)=N1 D4873 [0,1,0,0,0,1|1,1,0]=4 539 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [0,1,0,0,0,1|1,1,0]=4 540 B10R1.172 COC1=NC(CN)=CC=N1 M43577 [0,1,0,0,0,1|1,1,0]=4 541 B10R1.172 COC1=NC(CN)=NC=C1 M27520 [0,1,0,0,0,1|1,1,0]=4 542 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [0,1,0,0,0,1|1,1,0]=4 543 B10R1.172 COC1=NC(CO)=CC=N1 H11374 [0,1,0,0,0,1|1,1,0]=4 544 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [0,1,0,0,0,1|1,1,0]=4 545 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [0,1,0,0,0,1|1,1,0]=4 546 B10R1.172 CSC1=CC=NC(SC)=N1 B43264 [0,1,0,0,0,1|1,0,0]=3 547 B10R1.172 CSC1=NC(C=O)=CC=N1 M14445 [0,1,0,0,0,1|1,0,1]=4 548 B10R1.172 CSC1=NC(CN)=CC=N1 M43374 [0,1,0,0,0,1|1,0,0]=3 549 B10R1.172 CSC1=NC(CO)=CC=N1 M32432 [0,1,0,0,0,1|1,0,0]=3 550 B10R1.172 CSC1=NC(NN)=CC=N1 H41216 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [0,2,0,0,0,0|1,1,0]=4 553 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [0,2,0,0,0,0|1,1,0]=4 554 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,2,0,0,0,0|0,1,0]=3 555 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [0,2,0,0,0,0|1,1,0]=4 556 B10R1.14 COC(=O)C1=CN=C(C)O1 M3277 [0,2,0,0,0,0|1,1,0]=4 557 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [0,2,0,0,0,0|1,1,0]=4 558 B10R1.16 CC1=CC=C(C=CC=O)O1 M49076 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.31 OCC1=CC=C(B(O)O)O1 H37169 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.55 CC1=CC=C([B-](F)(F)F)O1 P61794 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,1,1,0,0|1,0,1]=4 563 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,1,1,0,0|2,0,0]=4 564 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,0,1,1,0,0|2,0,0]=4