0 B6R1.2 BrC1=CON=C1 X5415 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CSN=C1 W4788 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=NNC=C1 W3171 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=NOC=C1 2067AA [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=NSC=C1 Z4879 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 CC1=CN=CS1 W5735 [0,0,0,0,0,0|1,1,0]=2 6 B6R1.2 CC1=COC=N1 Z5040 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1=NCCN1 5706AL [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 CC1=NCCS1 5709AL [0,0,0,0,0,0|1,1,2]=4 9 B6R1.2 CC1=NN=CO1 Z4625 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 CN1C=CC=C1 W9812 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 ClC1=CNC=N1 W3465 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 ClC1=NC=NS1 W5914 [0,0,0,0,0,0|3,1,0]=4 13 B6R1.2 ClC1=NN=CS1 7474AB [0,0,0,0,0,0|3,1,0]=4 14 B6R1.2 ClC1=NNC=C1 7033AA [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 ClC1=NNC=N1 L501 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 FC1=CN=CN1 Z6040 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 IC1=CON=C1 W8742 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 IC1=NNC=C1 Y5436 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 NC1=CC=NO1 Z4172 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 NC1=CN=CS1 W9667 [0,0,0,0,0,0|2,1,0]=3 21 B6R1.2 NC1=CNN=C1 9866AH [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 NC1=CNN=C1 W6270 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 NC1=CSC=C1 2074AB [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 NC1=CSC=C1 W8854 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 NC1=NC=CN1 V6725 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 NC1=NC=CN1 Z4665 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 NC1=NC=NS1 V2374 [0,0,0,0,0,0|3,1,0]=4 28 B6R1.2 NC1=NN=CO1 0114AP [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 O=C1C=CNN1 X9987 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 O=C1C=CSN1 Z3786 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 O=C1CC=NN1 Z4130 [0,0,0,0,0,0|3,0,1]=4 32 B6R1.2 OC1=CNN=C1 Y1506 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 OC1=NC=NN1 2489AD [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 ON1C=CC=N1 2689AC [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 S=C1SC=CS1 Z2256 [0,0,0,0,0,0|2,1,0]=3 36 B5R1.1 C1=CCCC1 7379AF [1,0,0,0,0,0|1,0,2]=4 37 B5R1.1 C1=CNC=N1 8065AL [1,0,0,0,0,0|2,0,0]=3 38 B5R1.1 C1=C[Se]C=C1 9056AJ [1,0,0,0,0,0|0,1,0]=2 39 B7R1.1 C=CC1=CN=CN1 4743AB [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 C=CC1=NC=CS1 Y1855 [0,1,0,0,0,0|1,1,1]=4 41 B7R1.1 CCC1=CC=CN1 Y7642 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.1 CCC1=CSC=C1 X4152 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 CCN1C=CC=C1 6758AE [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 CCN1C=NC=N1 8559AA [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 CNC1=NC=CS1 W7369 [0,1,0,0,0,0|1,1,0]=3 46 B7R1.1 CSC1=CC=CS1 Z0707 [0,1,0,0,0,0|0,1,0]=2 47 B7R1.1 CSC1=CSC=C1 Z0368 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 CSC1=NC=CN1 5294AJ [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 CSC1=NC=CS1 R552 [0,1,0,0,0,0|1,1,0]=3 50 B7R1.1 CSC1=NC=NN1 9053AE [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 ClCC1=CC=NN1 0765AC [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 ClCC1=CN=CS1 Z4079 [0,1,0,0,0,0|1,1,0]=3 53 B7R1.1 ClCC1=CNC=N1 1651AB [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 ClCC1=CNC=N1 V5652 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 ClCC1=NC=CO1 X7958 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.1 ClCC1=NOC=N1 X2943 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.1 N#CC1=CC=CN1 Y6238 [0,1,0,0,0,0|1,0,1]=3 58 B7R1.1 N#CC1=CN=CS1 W4910 [0,1,0,0,0,0|1,1,1]=4 59 B7R1.1 N#CC1=CNC=C1 1058AC [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 N#CC1=COC=N1 Y5469 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 N#CC1=NC=CN1 3456AB [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 N#CC1=NNC=C1 W5786 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 N#CC1=NOC=C1 0622AC [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 NCC1=CC=CN1 X9903 [0,1,0,0,0,0|1,0,0]=2 65 B7R1.1 NCC1=CC=NO1 6076AB [0,1,0,0,0,0|1,0,0]=2 66 B7R1.1 NCC1=CN=CO1 7605AH [0,1,0,0,0,0|1,0,0]=2 67 B7R1.1 NCC1=CN=CO1 X9388 [0,1,0,0,0,0|1,0,0]=2 68 B7R1.1 NCC1=CN=CS1 7784AH [0,1,0,0,0,0|1,1,0]=3 69 B7R1.1 NCC1=CN=CS1 W3518 [0,1,0,0,0,0|1,1,0]=3 70 B7R1.1 NCC1=CN=CS1 Z3440 [0,1,0,0,0,0|1,1,0]=3 71 B7R1.1 NCC1=CNC=C1 4647AC [0,1,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=CNC=N1 W7724 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 NCC1=COC=N1 Y6958 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CSC=C1 Y8534 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 NCC1=CSC=N1 6554AH [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 NCC1=NC=CN1 6710AA [0,1,0,0,0,0|2,0,0]=3 77 B7R1.1 NCC1=NC=CS1 3144AC [0,1,0,0,0,0|1,1,0]=3 78 B7R1.1 NCC1=NC=CS1 W6779 [0,1,0,0,0,0|1,1,0]=3 79 B7R1.1 NCC1=NNC=C1 W5849 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.1 NCC1=NNC=C1 X6524 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1=NOC=C1 5768AA [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 O=CC1=CC=NS1 7399AB [0,1,0,0,0,0|1,1,1]=4 83 B7R1.1 O=CC1=NC=CS1 0841AA [0,1,0,0,0,0|1,1,1]=4 84 B7R1.1 OCC1=CC=NN1 1603AB [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 OCC1=CN=CO1 X9696 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.1 OCC1=CNC=N1 W8610 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 OCC1=CNN=C1 W4849 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 OCC1=COC=N1 V3523 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 OCC1=CSC=N1 X0268 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 OCC1=CSN=N1 7580AJ [0,1,0,0,0,0|3,0,0]=4 91 B7R1.1 OCC1=NC=CO1 5578AA [0,1,0,0,0,0|1,0,0]=2 92 B7R1.1 OCC1=NC=CS1 W3175 [0,1,0,0,0,0|1,1,0]=3 93 B7R1.1 OCC1=NOC=C1 Z5286 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.1 OCN1C=CC=N1 X8992 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 OCN1C=NC=N1 1023AL [0,1,0,0,0,0|3,0,0]=4 96 B7R1.1 SCC1=CC=CO1 Z5487 [0,1,0,0,0,0|0,0,0]=1 97 B7R1.1 SCC1=CC=CS1 7988AJ [0,1,0,0,0,0|0,1,0]=2 98 B7R1.2 CC1=CC(Br)=NO1 2132AB [0,1,0,0,0,0|1,0,0]=2 99 B7R1.2 CC1=CC(Cl)=NN1 Y7686 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.2 CC1=CC(I)=NN1 5774AC [0,1,0,0,0,0|2,0,0]=3 101 B7R1.2 CC1=CC(N)=NN1 2288AA [0,1,0,0,0,0|2,0,0]=3 102 B7R1.2 CC1=CC=C(C)N1 9441AB [0,1,0,0,0,0|1,0,0]=2 103 B7R1.2 CC1=CC=C(I)S1 Z5470 [0,1,0,0,0,0|0,1,0]=2 104 B7R1.2 CC1=CN=C(Cl)S1 W5507 [0,1,0,0,0,0|1,1,0]=3 105 B7R1.2 CC1=CN=C(I)N1 1451AC [0,1,0,0,0,0|2,0,0]=3 106 B7R1.2 CC1=CNC(Br)=N1 Y8369 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.2 CC1=COC(N)=N1 W5715 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,1,0,0,0,0|1,1,0]=3 109 B7R1.2 CC1=CSC(Br)=N1 W8107 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.2 CC1=CSC(C)=C1 X6352 [0,1,0,0,0,0|0,1,0]=2 111 B7R1.2 CC1=CSC(Cl)=N1 Y8510 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.2 CC1=CSC(N)=N1 9210AB [0,1,0,0,0,0|2,0,0]=3 113 B7R1.2 CC1=NC(=S)NN1 8794AE [0,1,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=NC(Br)=CS1 X4179 [0,1,0,0,0,0|1,1,0]=3 115 B7R1.2 CC1=NC(Br)=NO1 2584AD [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 CC1=NC(I)=CN1 W8177 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.2 CC1=NC(N)=NO1 5458AB [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 CC1=NN=C(Br)S1 W6838 [0,1,0,0,0,0|2,1,0]=4 119 B7R1.2 CC1=NN=C(C)S1 5370AL [0,1,0,0,0,0|2,1,0]=4 120 B7R1.2 CC1=NN=C(Cl)S1 5148AE [0,1,0,0,0,0|2,1,0]=4 121 B7R1.2 CC1=NN=C(N)N1 W6497 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.2 CC1=NN=C(N)O1 X7978 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.2 CC1=NSC(Br)=C1 0520AB [0,1,0,0,0,0|2,0,0]=3 124 B7R1.2 CC1=NSC(Cl)=N1 W4503 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 CC1C=CC(C)N1 Y9566 [0,1,0,0,0,0|1,0,2]=4 126 B7R1.2 CN1C=C(Br)N=N1 X7970 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.2 CN1C=C(Cl)C=N1 W5738 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.2 CN1C=C(O)C=N1 Y5106 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.2 CN1C=CC(=O)N1 7479AB [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 CN1C=CC(Br)=N1 W3298 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 CN1C=CC(I)=N1 X5406 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.2 CN1C=NC(Br)=C1 Z8398 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 CN1C=NC(N)=C1 Z5285 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.2 CN1C=N[N+](C)=C1 4629AL [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 CN1N=CC(Br)=N1 8494AA [0,1,0,0,0,0|3,0,0]=4 136 B7R1.2 ClC1=CC=C(Cl)S1 Z5505 [0,1,0,0,0,0|1,1,0]=3 137 B7R1.2 ClC1=CN=C(Br)S1 W3617 [0,1,0,0,0,0|2,1,0]=4 138 B7R1.2 IC1=CC=C(I)S1 L094 [0,1,0,0,0,0|1,1,0]=3 139 B7R1.2 NC1=CC(=O)NN1 W5121 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.2 NC1=CSC(N)=N1 Z5019 [0,1,0,0,0,0|2,1,0]=4 141 B7R1.2 NC1=NC(O)=CS1 Z1669 [0,1,0,0,0,0|2,1,0]=4 142 B7R1.2 NC1=NC=C(Br)S1 W5275 [0,1,0,0,0,0|2,1,0]=4 143 B7R1.2 NC1=NC=C(F)S1 1572AC [0,1,0,0,0,0|2,1,0]=4 144 B7R1.2 O=C1CNC(=O)O1 1066AB [0,1,0,0,0,0|2,0,1]=4 145 B7R1.2 O=C1NC(Br)=CS1 1719AA [0,1,0,0,0,0|2,1,0]=4 146 B7R1.4 BrC1=COC=C1Br V5173 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.4 CC1=C(Br)C=NO1 0948AC [0,1,0,0,0,0|1,0,0]=2 148 B7R1.4 CC1=C(Br)N=CS1 5945AA [0,1,0,0,0,0|1,1,0]=3 149 B7R1.4 CC1=C(Br)SC=N1 Y7050 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.4 CC1=C(C)NC=N1 7566AB [0,1,0,0,0,0|2,0,0]=3 151 B7R1.4 CC1=C(C)OC=C1 5235AL [0,1,0,0,0,0|0,0,0]=1 152 B7R1.4 CC1=C(I)NN=C1 Y3268 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.4 CC1=CSC=C1N 1699AB [0,1,0,0,0,0|2,0,0]=3 154 B7R1.4 CC1=NNC=C1N Z7407 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.4 CC1=NON=C1N 5895AD [0,1,0,0,0,0|3,0,0]=4 156 B7R1.4 CN1C=CN=C1Br Y5297 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.4 CN1C=CN=C1Cl Y5361 [0,1,0,0,0,0|3,0,0]=4 158 B7R1.4 CN1C=NC=C1I W8067 [0,1,0,0,0,0|3,0,0]=4 159 B7R1.4 CN1N=CC=C1Br X2128 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.4 CN1N=CC=C1O 3947AB [0,1,0,0,0,0|2,0,0]=3 161 B7R1.4 CN1N=CCC1=O 0601AA [0,1,0,0,0,0|2,0,1]=4 162 B7R1.4 CN1N=CN=C1Br W3627 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.4 CN1N=CN=C1N 7927AA [0,1,0,0,0,0|3,0,0]=4 164 B7R1.4 CN1NC=CC1=O 3785AB [0,1,0,0,0,0|2,0,0]=3 165 B7R1.4 ClC1=C(Br)SC=C1 2211AC [0,1,0,0,0,0|1,1,0]=3 166 B7R1.4 ClC1=C(Cl)SC=C1 U562 [0,1,0,0,0,0|1,1,0]=3 167 B7R1.4 NC1=C(Cl)NN=C1 0784AA [0,1,0,0,0,0|3,0,0]=4 168 B7R1.4 NC1=C(I)C=NN1 0369AQ [0,1,0,0,0,0|3,0,0]=4 169 B7R1.4 O=C1CCC=C1O X8732 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,1,0,0,0,0|3,0,0]=4 171 B7R1.4 O=C1O[Fe]OC1=O 6807AF [0,1,0,0,0,0|3,0,0]=4 172 B7R1.4 O=C1O[Fe]OC1=O 6808AF [0,1,0,0,0,0|3,0,0]=4 173 B5R0.1 C=C(C)CCBr Z4377 [0,0,1,0,0,0|2,0,1]=4 174 B5R0.1 C=C(C)CCC 5700AL [0,0,1,0,0,0|1,0,2]=4 175 B5R0.1 C=CNC(C)=O 8689AL [0,0,1,0,0,0|1,0,1]=3 176 B5R0.1 CC(C)=CCBr Z1911 [0,0,1,0,0,0|2,0,1]=4 177 B5R0.1 CC(C)OC=O 7262AF [0,0,1,0,0,0|1,0,2]=4 178 B5R0.1 CNOC(C)=O 8699AL [0,0,1,0,0,0|2,0,1]=4 179 B5R0.2 C=CCCC=C 7447AF [0,0,1,0,0,0|1,0,2]=4 180 B5R0.2 C=CCNC=O 5211AD [0,0,1,0,0,0|2,0,1]=4 181 B5R0.2 CC\C=C/CC 7431AL [0,0,1,0,0,0|1,0,2]=4 182 B5R0.2 CC\C=C/CO 3214AL [0,0,1,0,0,0|0,0,2]=3 183 B5R0.2 CC\C=C\CC 3771AD [0,0,1,0,0,0|1,0,2]=4 184 B5R0.2 C\C=C\C=C\C 5333AL [0,0,1,0,0,0|1,0,0]=2 185 B5R0.3 C=CC(=O)NC 3091AA [0,0,1,0,0,0|2,0,1]=4 186 B5R0.3 C=CC(C)C#N 5710AL [0,0,1,0,0,0|2,0,1]=4 187 B5R0.3 C=CC(C)CC 6094AL [0,0,1,0,0,0|1,0,2]=4 188 B5R0.3 CON(C)C=O 3547AB [0,0,1,0,0,0|2,0,1]=4 189 B5R0.3 C\C=C(/C)C#N 5703AL [0,0,1,0,0,0|2,0,1]=4 190 B7R1.3 BrC1=CC=NC=C1 V7564 [0,0,0,0,0,1|2,0,0]=3 191 B7R1.3 BrC1=CC=NC=N1 2731AJ [0,0,0,0,0,1|2,0,0]=3 192 B7R1.3 BrC1=CN=NC=C1 5826AA [0,0,0,0,0,1|3,0,0]=4 193 B7R1.3 BrC1=CN=NC=C1 Z1972 [0,0,0,0,0,1|3,0,0]=4 194 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,0,0,1|1,0,2]=4 195 B7R1.3 CC1=CN=CN=C1 V0658 [0,0,0,0,0,1|2,0,0]=3 196 B7R1.3 ClC1=CN=CN=C1 X3259 [0,0,0,0,0,1|3,0,0]=4 197 B7R1.3 ClC1=NC=NC=C1 Y0535 [0,0,0,0,0,1|2,0,0]=3 198 B7R1.3 FC1=NC=CC=N1 Y8685 [0,0,0,0,0,1|2,0,0]=3 199 B7R1.3 NC1=CC=CC=C1 7089AL [0,0,0,0,0,1|2,0,0]=3 200 B7R1.3 NC1=CC=CC=C1 7670AF [0,0,0,0,0,1|2,0,0]=3 201 B7R1.3 NC1=CC=NC=C1 2631AL [0,0,0,0,0,1|2,0,0]=3 202 B7R1.3 NC1=NN=CC=C1 W9214 [0,0,0,0,0,1|2,0,0]=3 203 B7R1.3 O=C1C=CC=CO1 X6757 [0,0,0,0,0,1|1,0,0]=2 204 B7R1.3 O=C1C=COC=C1 1768AA [0,0,0,0,0,1|2,0,0]=3 205 B7R1.3 OC1=CC=NC=C1 8186AJ [0,0,0,0,0,1|2,0,0]=3 206 B7R1.3 OC1=CC=NN=C1 Y3331 [0,0,0,0,0,1|3,0,0]=4 207 B7R1.3 OC1=NC=CC=N1 R414 [0,0,0,0,0,1|2,0,0]=3 208 B7R1.3 S=C1C=CC=CN1 1497AL [0,0,0,0,0,1|2,0,0]=3 209 B4R0.1 C=CC(=O)[O-] 7016AF [1,0,1,0,0,0|1,0,1]=4 210 B4R0.1 C=CC(C)O 6444AE [1,0,1,0,0,0|0,0,1]=3 211 B4R0.1 CC(=O)O[Cu] X3614 [1,0,1,0,0,0|2,0,0]=4 212 B4R0.1 CC(=O)O[Tl] 6845AF [1,0,1,0,0,0|2,0,0]=4 213 B4R0.1 CC(C)=CBr X6156 [1,0,1,0,0,0|1,0,1]=4 214 B4R0.2 C=CCCC 7306AF [1,0,1,0,0,0|0,0,2]=4 215 B4R0.2 C=CSCC 7899AL [1,0,1,0,0,0|0,1,1]=4 216 B4R0.2 CCOC=N M412 [1,0,1,0,0,0|1,0,1]=4 217 B4R0.2 C\C=C\CC 7309AF [1,0,1,0,0,0|0,0,2]=4 218 B4R0.2 C\C=C\OC 1641AL [1,0,1,0,0,0|0,0,1]=3 219 B6R0.1 C=COC(=O)CC 7389AF [0,1,1,0,0,0|1,0,0]=3 220 B6R0.1 COC(=O)\C=C\I 9331AB [0,1,1,0,0,0|1,0,1]=4 221 B6R0.1 C\C=C\C(=O)CC 2730AL [0,1,1,0,0,0|0,0,2]=4 222 B6R0.3 C=CN(C)C(C)=O V0612 [0,1,1,0,0,0|1,0,1]=4 223 B6R0.4 C=COCC(C)C 8720AJ [0,1,1,0,0,0|0,0,2]=4 224 B6R0.4 C=C\C=C\C(=O)O Z4964 [0,1,1,0,0,0|1,0,0]=3 225 B6R0.5 C=CCC(C)(C)O 1796AJ [0,1,1,0,0,0|0,0,2]=4 226 B6R0.5 C=CO[Si](C)(C)C 9191AJ [0,1,1,0,0,0|0,1,1]=4 227 B6R0.6 C\C=C/CCCO 7448AL [0,1,1,0,0,0|0,0,2]=4 228 B6R0.6 C\C=C\C=C\CO X5865 [0,1,1,0,0,0|0,0,0]=2 229 B6R1.5 CC1CC(=O)O1 7160AL [0,1,0,0,1,0|0,0,2]=4 230 B8R1.2 BrCC1=CC=NC=C1 Y7030 [0,1,0,0,0,1|1,0,0]=3 231 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,1,0,0,0,1|1,0,0]=3 232 B8R1.2 C#CC1=NC=CC=N1 W5876 [0,1,0,0,0,1|1,0,1]=4 233 B8R1.2 CNC1=NC=CN=C1 3544AB [0,1,0,0,0,1|1,0,0]=3 234 B8R1.2 COC1=CC=NC=N1 Y3333 [0,1,0,0,0,1|1,0,0]=3 235 B8R1.2 COC1=CCC=CC1 Y5373 [0,1,0,0,0,1|1,0,0]=3 236 B8R1.2 COC1=CN=CN=C1 W5346 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.2 COC1CCC=CO1 5901AL [0,1,0,0,0,1|0,0,2]=4 238 B8R1.2 CSC1=NC=CC=C1 L314 [0,1,0,0,0,1|1,0,0]=3 239 B8R1.2 CSC1=NC=CC=N1 X0139 [0,1,0,0,0,1|1,0,0]=3 240 B8R1.2 CSC1=NC=CN=N1 X6051 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,1,0,0,0,1|1,0,0]=3 242 B8R1.2 ClCC1=NC=CC=N1 W6849 [0,1,0,0,0,1|1,0,0]=3 243 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [0,1,0,0,0,1|2,0,0]=4 244 B8R1.2 N#CC1=CC=CC=C1 E085 [0,1,0,0,0,1|1,0,1]=4 245 B8R1.2 N#CC1=CC=CN=N1 7702AB [0,1,0,0,0,1|1,0,1]=4 246 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,1,0,0,0,1|1,0,0]=3 247 B8R1.2 NCC1=CN=CN=C1 W4845 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.2 NCC1=NC=CN=C1 W5959 [0,1,0,0,0,1|1,0,0]=3 249 B8R1.2 NCC1=NC=NC=C1 9281AB [0,1,0,0,0,1|1,0,0]=3 250 B8R1.2 NNC1=CC=CN=C1 Z1664 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.2 NNC1=NC=CC=N1 W8254 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.2 NNC1=NN=CC=C1 X0228 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.2 O=CC1=CC=NC=N1 W4791 [0,1,0,0,0,1|1,0,1]=4 254 B8R1.2 OCC1=CC=NC=N1 W5525 [0,1,0,0,0,1|1,0,0]=3 255 B8R1.2 OCC1=CN=CN=C1 W4842 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.2 OCC1=CN=NC=C1 7045AB [0,1,0,0,0,1|2,0,0]=4 257 B8R1.2 OCC1=NC=CC=N1 W6241 [0,1,0,0,0,1|1,0,0]=3 258 B8R1.3 BrC1=NC=C(I)N=C1 Y9643 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.3 CC1=CC=C(F)C=N1 I740 [0,1,0,0,0,1|1,0,0]=3 260 B8R1.3 CC1=CN=C(Br)N=C1 W3278 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.3 CC1=CN=C(Cl)C=N1 W7227 [0,1,0,0,0,1|1,0,0]=3 262 B8R1.3 CC1=CN=C(N)N=C1 W6602 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.3 CC1=NC=C(Cl)C=C1 V7477 [0,1,0,0,0,1|1,0,0]=3 264 B8R1.3 CC1=NC=C(Cl)C=N1 Z4855 [0,1,0,0,0,1|1,0,0]=3 265 B8R1.3 CC1=NC=C(N)C=N1 Q097 [0,1,0,0,0,1|1,0,0]=3 266 B8R1.3 CC1=NC=C(O)C=N1 W5688 [0,1,0,0,0,1|1,0,0]=3 267 B8R1.3 CC1=NNC(=O)C=C1 6455AJ [0,1,0,0,0,1|1,0,0]=3 268 B8R1.3 CC1=NNC(=O)C=C1 Y9893 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.3 ClC1=CN=C(Cl)C=N1 W4185 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.3 ClC1=CN=C(I)N=C1 X0280 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.3 ClC1=NC=C(I)N=C1 X8773 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.3 ClC1=NN=C(Br)C=C1 W9202 [0,1,0,0,0,1|2,0,0]=4 273 B8R1.3 ClC1=NN=C(I)C=C1 X1280 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.3 FC1=CN=C(I)C=C1 V2142 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.3 FC1=NN=C(F)C=C1 W5481 [0,1,0,0,0,1|2,0,0]=4 276 B8R1.3 NC1=CC=C(I)N=N1 X3258 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.3 NC1=CN=C(Br)N=C1 W7027 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.3 NC1=CN=C(N)N=C1 V2039 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.3 NC1=CN=C(O)C=C1 V5265 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.3 NC1=NC=C(O)C=C1 V8126 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.3 NC1=NN=C(Br)C=C1 W9081 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.3 NC1=NN=C(F)C=C1 X3938 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.3 NC1=NN=C(N)C=C1 W7335 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.3 O=C1N=CC(Br)=CN1 2652AC [0,1,0,0,0,1|2,0,0]=4 285 B8R1.3 OC1=CN=C(Br)C=N1 X3203 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.3 OC1=CN=C(Br)N=C1 5494AJ [0,1,0,0,0,1|2,0,0]=4 287 B8R1.3 OC1=CN=C(I)C=C1 5466AA [0,1,0,0,0,1|2,0,0]=4 288 B8R1.3 OC1=NC=C(Cl)C=N1 W6856 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.3 OC1=NC=C(Cl)N=C1 W9210 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.3 OC1=NC=C(F)C=N1 0373AB [0,1,0,0,0,1|2,0,0]=4 291 B8R1.3 SC1=CC=C(Br)C=N1 W7034 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.3 SC1=CC=C(Cl)C=N1 2810AE [0,1,0,0,0,1|2,0,0]=4 293 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [0,1,0,0,0,1|2,0,0]=4 294 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 W3105 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.4 BrC1=CN=CC(Br)=N1 X4368 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.4 CC1=CN=CC(Br)=N1 Y4677 [0,1,0,0,0,1|1,0,0]=3 297 B8R1.4 CC1=CN=CC(Cl)=C1 W9922 [0,1,0,0,0,1|1,0,0]=3 298 B8R1.4 CC1=CN=CC(N)=N1 W6921 [0,1,0,0,0,1|1,0,0]=3 299 B8R1.4 CC1=CN=CC(O)=C1 W6236 [0,1,0,0,0,1|1,0,0]=3 300 B8R1.4 CC1=NC(Br)=NC=C1 X9774 [0,1,0,0,0,1|1,0,0]=3 301 B8R1.4 CC1=NC(I)=CC=C1 9463AB [0,1,0,0,0,1|1,0,0]=3 302 B8R1.4 CC1=NC(O)=NC=C1 W3325 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.4 CC1=NC(S)=NC=C1 Y3212 [0,1,0,0,0,1|1,0,0]=3 304 B8R1.4 CC1=NC(S)=NC=C1 Y3213 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.4 CC1=NC(S)=NC=C1 Z2576 [0,1,0,0,0,1|1,0,0]=3 306 B8R1.4 CC1=NC=CC(Br)=N1 X8975 [0,1,0,0,0,1|1,0,0]=3 307 B8R1.4 CC1=NC=CC(I)=C1 Z4438 [0,1,0,0,0,1|1,0,0]=3 308 B8R1.4 CC1=NC=CC(N)=N1 W8227 [0,1,0,0,0,1|1,0,0]=3 309 B8R1.4 CC1=NC=CC(O)=N1 W7788 [0,1,0,0,0,1|1,0,0]=3 310 B8R1.4 CC1=NC=NC(Br)=C1 W7932 [0,1,0,0,0,1|1,0,0]=3 311 B8R1.4 CC1=NC=NC(N)=C1 W5586 [0,1,0,0,0,1|1,0,0]=3 312 B8R1.4 CC1=NC=NC(O)=C1 W5689 [0,1,0,0,0,1|1,0,0]=3 313 B8R1.4 C[N+]1=CC(Br)=CC=C1 V9903 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [0,1,0,0,0,1|2,0,0]=4 315 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [0,1,0,0,0,1|2,0,0]=4 316 B8R1.4 ClC1=CN=CC(Br)=N1 X7955 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.4 ClC1=NC=CC(Br)=N1 Y6682 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.4 FC1=CC(I)=CN=C1 1772AC [0,1,0,0,0,1|2,0,0]=4 319 B8R1.4 FC1=CN=CC(Cl)=C1 X8318 [0,1,0,0,0,1|2,0,0]=4 320 B8R1.4 FC1=NC(F)=NC=C1 9058AD [0,1,0,0,0,1|2,0,0]=4 321 B8R1.4 FC1=NC=CC(Cl)=C1 W5657 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.4 IC1=CN=CC(I)=N1 W7134 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.4 IC1=NC(I)=NC=C1 W4965 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.4 NC1=CC(=O)C=CN1 3128AA [0,1,0,0,0,1|2,0,0]=4 325 B8R1.4 NC1=CC(Cl)=CN=C1 W4605 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.4 NC1=CC(Cl)=NN=C1 W5167 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.4 NC1=CC(F)=NC=C1 1723AJ [0,1,0,0,0,1|2,0,0]=4 328 B8R1.4 NC1=CC(O)=CN=C1 W5706 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.4 NC1=CC=NC(=S)N1 0783AQ [0,1,0,0,0,1|2,0,0]=4 330 B8R1.4 NC1=CN=CC(N)=C1 X3369 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.4 NC1=CN=CC(N)=N1 W9891 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.4 NC1=NC(Br)=CN=C1 W6852 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.4 NC1=NC(Br)=NC=C1 X9149 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.4 NC1=NC(I)=CC=C1 1791AF [0,1,0,0,0,1|2,0,0]=4 335 B8R1.4 NC1=NC=CC(Br)=N1 W5598 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.4 NC1=NC=CC(I)=N1 W8589 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.4 O=C1C=C(I)C=CN1 Z5203 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.4 O=C1C=C(I)C=NN1 W8629 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.4 O=C1N=CC=C(Cl)N1 2581AC [0,1,0,0,0,1|2,0,0]=4 340 B8R1.4 OC1=CC(Br)=NC=C1 W5809 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.4 OC1=CC=CC(O)=N1 5358AJ [0,1,0,0,0,1|2,0,0]=4 342 B8R1.4 OC1=CC=CC(O)=N1 Z6674 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.4 OC1=CN=CC(F)=C1 N324 [0,1,0,0,0,1|2,0,0]=4 344 B8R1.4 OC1=CN=CC(O)=C1 Z4643 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.4 OC1=NC(Cl)=CN=C1 W6500 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.4 OC1=NC=CC(F)=C1 W9811 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.4 OC1=NC=NC(Br)=C1 X8890 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.4 S=C1C=CNC(=S)N1 I164 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.5 BrC1=NC=CN=C1Br W9749 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.5 CC1=C(Br)C=CN=C1 N224 [0,1,0,0,0,1|1,0,0]=3 351 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.5 CC1=C(I)C=NC=C1 5015AB [0,1,0,0,0,1|1,0,0]=3 353 B8R1.5 CC1=C(N)N=CN=C1 W4621 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.5 CC1=CC=CC=[N+]1N 4748AL [0,1,0,0,0,1|1,0,0]=3 355 B8R1.5 CC1=CC=CN=C1F I218 [0,1,0,0,0,1|1,0,0]=3 356 B8R1.5 CC1=CC=CN=C1I L284 [0,1,0,0,0,1|1,0,0]=3 357 B8R1.5 CC1=CC=CN=C1O Z5345 [0,1,0,0,0,1|1,0,0]=3 358 B8R1.5 CC1=CC=NN=C1Cl V2362 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.5 CC1=CC=NNC1=O X0378 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.5 CC1=NC=CC=C1Cl W8084 [0,1,0,0,0,1|1,0,0]=3 361 B8R1.5 CC1=NC=CC=C1F W3456 [0,1,0,0,0,1|1,0,0]=3 362 B8R1.5 CC1=NC=CN=C1Br Z3979 [0,1,0,0,0,1|1,0,0]=3 363 B8R1.5 CC1=NC=CN=C1Cl W9751 [0,1,0,0,0,1|1,0,0]=3 364 B8R1.5 CC1=NC=CN=C1N X7049 [0,1,0,0,0,1|1,0,0]=3 365 B8R1.5 CC1=[N+](C)C=CC=C1 1196AF [0,1,0,0,0,1|1,0,0]=3 366 B8R1.5 ClC1=C(Br)C=NC=C1 9505AA [0,1,0,0,0,1|2,0,0]=4 367 B8R1.5 ClC1=C(Br)C=NC=N1 X3070 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.5 ClC1=C(Cl)N=CN=C1 W7679 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.5 FC1=C(Br)C=CN=C1 N223 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.5 FC1=C(Cl)C=CN=C1 N226 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.5 FC1=C(Cl)N=CN=C1 W5636 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.5 FC1=CC=CC=C1Cl W5650 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.5 FC1=NC=CC=C1Cl V1130 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.5 NC1=C(Br)N=CN=C1 W8767 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.5 NC1=C(F)C=CN=C1 Y6940 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.5 NC1=C(F)C=NC=C1 E430 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.5 NC1=C(I)N=CN=C1 X5696 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.5 NC1=C(O)C=CN=C1 2154AJ [0,1,0,0,0,1|2,0,0]=4 379 B8R1.5 NC1=CC=CC=C1Br 6262AC [0,1,0,0,0,1|2,0,0]=4 380 B8R1.5 NC1=CC=CC=C1O 7115AB [0,1,0,0,0,1|2,0,0]=4 381 B8R1.5 NC1=CC=CN=C1I W4384 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.5 NC1=CN=CC=C1Cl N346 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.5 NC1=NC=CN=C1Br X2934 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.5 NC1=NC=CN=C1I W5604 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.5 NC1=NC=CN=C1N X9790 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.5 NC1=NC=CN=C1O W6256 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.5 NC1=NC=NC=C1O 7434AB [0,1,0,0,0,1|2,0,0]=4 388 B8R1.5 O=C1C=COC=C1O Z4796 [0,1,0,0,0,1|1,0,0]=3 389 B8R1.5 O=C1N=CNC=C1O W3438 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.5 O=C1OC=CC=C1O W6519 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.5 OC1=C(Br)C=CN=C1 W3500 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.5 OC1=C(Cl)C=CN=C1 W9815 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.5 OC1=C(I)C=CN=C1 W4056 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.5 OC1=NC=CC=C1F N319 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.5 OC1=NN=CC=C1Cl W3653 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 W4343 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.1 C#CC1=CC=C(Br)S1 5481AJ [0,2,0,0,0,0|0,1,1]=4 398 B8R1.1 C#CC1=CN(C)N=C1 Y6211 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.1 CC1=CC(CO)=NO1 W5683 [0,2,0,0,0,0|1,0,0]=3 400 B8R1.1 CC1=CC=C(C#N)N1 2253AB [0,2,0,0,0,0|1,0,0]=3 401 B8R1.1 CC1=CC=C(C#N)S1 1306AC [0,2,0,0,0,0|0,1,0]=3 402 B8R1.1 CC1=CC=C(CO)O1 Y8951 [0,2,0,0,0,0|0,0,0]=2 403 B8R1.1 CC1=CN=C(C=O)N1 9102AC [0,2,0,0,0,0|2,0,0]=4 404 B8R1.1 CC1=CN=C(CO)S1 W4281 [0,2,0,0,0,0|1,1,0]=4 405 B8R1.1 CC1=CSC(C#N)=N1 0220AA [0,2,0,0,0,0|2,0,0]=4 406 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [0,2,0,0,0,0|0,1,1]=4 407 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [0,2,0,0,0,0|2,0,0]=4 408 B8R1.1 CC1=CSC(CO)=C1 Y9977 [0,2,0,0,0,0|0,1,0]=3 409 B8R1.1 CC1=CSC(CO)=N1 Y5277 [0,2,0,0,0,0|1,1,0]=4 410 B8R1.1 CC1=NC(C#N)=CS1 W4524 [0,2,0,0,0,0|1,1,0]=4 411 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [0,2,0,0,0,0|1,0,0]=3 412 B8R1.1 CC1=NC(C=O)=CS1 W4388 [0,2,0,0,0,0|1,1,0]=4 413 B8R1.1 CC1=NC(CBr)=CS1 Y9993 [0,2,0,0,0,0|1,1,0]=4 414 B8R1.1 CC1=NC(CN)=CS1 Y6880 [0,2,0,0,0,0|1,1,0]=4 415 B8R1.1 CC1=NC(CN)=NO1 0086AD [0,2,0,0,0,0|2,0,0]=4 416 B8R1.1 CC1=NC(CO)=CS1 Y4033 [0,2,0,0,0,0|1,1,0]=4 417 B8R1.1 CC1=NC=C(C=O)S1 X8494 [0,2,0,0,0,0|1,1,0]=4 418 B8R1.1 CC1=NC=C(CO)S1 8183AB [0,2,0,0,0,0|1,1,0]=4 419 B8R1.1 CC1=NN=C(CCl)O1 X2009 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.1 CC1=NN=C(CN)O1 6665AE [0,2,0,0,0,0|2,0,0]=4 421 B8R1.1 CC1=NN=C(CO)O1 8855AH [0,2,0,0,0,0|2,0,0]=4 422 B8R1.1 CC1=NOC(CBr)=C1 Y8895 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.1 CC1=NOC(CCl)=N1 X2011 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.1 CC1=NOC(CO)=C1 Y7569 [0,2,0,0,0,0|1,0,0]=3 425 B8R1.1 CCN1C=C(N)C=N1 3909AC [0,2,0,0,0,0|2,0,0]=4 426 B8R1.1 CN1C=C(CN)C=N1 0373AD [0,2,0,0,0,0|2,0,0]=4 427 B8R1.1 CN1C=C(CN)C=N1 X8957 [0,2,0,0,0,0|2,0,0]=4 428 B8R1.1 CN1C=C(CN)C=N1 Y5423 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.1 CN1C=C(CO)C=N1 X8991 [0,2,0,0,0,0|2,0,0]=4 430 B8R1.1 CN1C=CC(CN)=N1 Y5488 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.1 CN1C=NC(CO)=C1 Y7819 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.1 COC1=CC(=O)CC1 6398AB [0,2,0,0,0,0|1,0,1]=4 433 B8R1.1 COC1=CC(=O)OC1 1405AQ [0,2,0,0,0,0|1,0,1]=4 434 B8R1.1 COC1=CC(N)=NO1 R093 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.1 COC1=NC(Br)=CS1 Y5356 [0,2,0,0,0,0|1,1,0]=4 436 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.1 ClCC1=CC=C(Cl)S1 Z4464 [0,2,0,0,0,0|0,1,0]=3 438 B8R1.1 ClCC1=CSC(Cl)=N1 Y5458 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.1 N#CC1=CC=C(N)S1 7417AB [0,2,0,0,0,0|0,1,1]=4 440 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,2,0,0,0,0|2,0,0]=4 441 B8R1.1 NC1=NC(CCl)=CS1 W7244 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.1 NC1=NNC(CO)=C1 6290AC [0,2,0,0,0,0|2,0,0]=4 443 B8R1.1 NCC1=CC=C(Br)S1 Z6237 [0,2,0,0,0,0|0,1,0]=3 444 B8R1.1 NCC1=CN=C(Cl)S1 W3344 [0,2,0,0,0,0|1,1,0]=4 445 B8R1.1 NCC1=CN=C(Cl)S1 X9440 [0,2,0,0,0,0|1,1,0]=4 446 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [0,2,0,0,0,0|1,0,1]=4 447 B8R1.1 O=CC1=CC(I)=CN1 Y8757 [0,2,0,0,0,0|1,0,1]=4 448 B8R1.1 O=CC1=CC(I)=CS1 9807AA [0,2,0,0,0,0|0,1,1]=4 449 B8R1.1 O=CC1=CC=C(Br)N1 5759AC [0,2,0,0,0,0|1,0,1]=4 450 B8R1.1 O=CC1=CC=C(Cl)O1 9756AL [0,2,0,0,0,0|0,0,1]=3 451 B8R1.1 O=CC1=CC=C(I)O1 F087 [0,2,0,0,0,0|0,0,1]=3 452 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [0,2,0,0,0,0|1,1,0]=4 453 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [0,2,0,0,0,0|1,1,0]=4 454 B8R1.1 OCC1=CC(Br)=NO1 W4909 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.1 OCC1=CC=C(Br)S1 X5386 [0,2,0,0,0,0|0,1,0]=3 456 B8R1.1 OCC1=CC=C(Cl)S1 1513AC [0,2,0,0,0,0|0,1,0]=3 457 B8R1.1 OCC1=CN=C(Br)S1 W7872 [0,2,0,0,0,0|1,1,0]=4 458 B8R1.1 OCC1=CN=C(Cl)S1 W3166 [0,2,0,0,0,0|1,1,0]=4 459 B8R1.1 OCC1=CSC(Br)=N1 W6686 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.7 CC(=O)C1=CNC=N1 9304AB [0,2,0,0,0,0|2,0,0]=4 461 B8R1.7 CC(=O)C1=CSC=N1 W5893 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.7 CC(=O)C1=NC=CN1 5223AE [0,2,0,0,0,0|2,0,0]=4 463 B8R1.7 CC(C)=C1C=CC=C1 1050AB [0,2,0,0,0,0|1,0,0]=3 464 B8R1.7 CC(C)C1=CC=CO1 U090 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.7 CC(N)C1=COC=C1 2007AB [0,2,0,0,0,0|2,0,0]=4 466 B8R1.7 CC(N)C1=NC=CS1 V9472 [0,2,0,0,0,0|1,1,0]=4 467 B8R1.7 CC(N)C1=NC=CS1 W6267 [0,2,0,0,0,0|1,1,0]=4 468 B8R1.7 CN(C)N1C=CC=C1 1393AQ [0,2,0,0,0,0|2,0,0]=4 469 B8R1.7 N=C(N)C1=CC=CS1 7913AB [0,2,0,0,0,0|0,1,1]=4 470 B8R1.7 NC(=O)C1=CC=CS1 X6987 [0,2,0,0,0,0|0,1,1]=4 471 B8R1.7 NC(=O)C1=NC=CO1 4142AC [0,2,0,0,0,0|1,0,1]=4 472 B8R1.7 NC(=S)C1=CC=CO1 5874AD [0,2,0,0,0,0|0,0,1]=3 473 B8R1.7 O=C(O)C1=CC=CN1 Q622 [0,2,0,0,0,0|1,0,1]=4 474 B8R1.7 O=C(O)C1=CN=CO1 X4661 [0,2,0,0,0,0|1,0,1]=4 475 B8R1.7 O=C([O-])C1=CC=CS1 Z2610 [0,2,0,0,0,0|0,1,1]=4 476 B8R1.7 O=[N+]([O-])C1=CC=CN1 W7207 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.7 O=[N+]([O-])C1=CC=CS1 L329 [0,2,0,0,0,0|1,1,0]=4 478 B8R1.8 CCCC1=NC=CS1 9241AA [0,2,0,0,0,0|1,1,0]=4 479 B8R1.8 CCCN1C=CC=N1 Z0507 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.8 CNCC1=CC=CS1 V7562 [0,2,0,0,0,0|0,1,0]=3 481 B8R1.8 CNCC1=CC=CS1 W7142 [0,2,0,0,0,0|0,1,0]=3 482 B8R1.8 CSCC1=CC=CO1 9711AJ [0,2,0,0,0,0|0,0,0]=2 483 B8R1.8 ClCCN1C=CC=N1 X5413 [0,2,0,0,0,0|2,0,0]=4 484 B8R1.8 NCCC1=CN=CN1 Y9749 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.8 NCCC1=CSC=C1 Y8818 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.8 NCCC1=NC=CS1 Y1661 [0,2,0,0,0,0|1,1,0]=4 487 B8R1.8 NCCC1=NC=CS1 Y8064 [0,2,0,0,0,0|1,1,0]=4 488 B8R1.8 OCCC1=CNC=N1 W8955 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.8 OCCN1C=CC=N1 V7005 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.8 ON\C=C1/C=CC=N1 0268AE [0,2,0,0,0,0|1,0,1]=4 491 B8R1.11 BrCC1=C(Br)SC=C1 5296AB [0,2,0,0,0,0|1,1,0]=4 492 B8R1.11 C=CC1=C(C)N=CS1 5880AD [0,2,0,0,0,0|2,0,0]=4 493 B8R1.11 CC1=C(C#N)SC=C1 V6586 [0,2,0,0,0,0|0,1,1]=4 494 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,2,0,0,0,0|1,0,1]=4 495 B8R1.11 CC1=C(CO)N=CN1 3032AB [0,2,0,0,0,0|2,0,0]=4 496 B8R1.11 CC1=NNC=C1C#N 5870AA [0,2,0,0,0,0|2,0,0]=4 497 B8R1.11 CC1=NNC=C1C=O X9029 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.11 CC1=NNC=C1CO 4676AE [0,2,0,0,0,0|2,0,0]=4 499 B8R1.11 CN1C=CC=C1CN Y9856 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.11 CN1C=CN=C1CCl 9984AA [0,2,0,0,0,0|2,0,0]=4 501 B8R1.11 CN1C=NC=C1CO Y8968 [0,2,0,0,0,0|2,0,0]=4 502 B8R1.11 CN1N=CC=C1C=O W5036 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.11 CN1N=CC=C1CCl 0463AF [0,2,0,0,0,0|2,0,0]=4 504 B8R1.11 CN1N=CC=C1CCl 6276AJ [0,2,0,0,0,0|2,0,0]=4 505 B8R1.11 CN1N=CC=C1CN Y5590 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.11 COC1=CC=NN1C 6266AA [0,2,0,0,0,0|2,0,0]=4 507 B8R1.11 N#CC1=C(Cl)C=CS1 4491AD [0,2,0,0,0,0|0,1,1]=4 508 B8R1.11 N#CC1=C(N)ON=C1 Z2946 [0,2,0,0,0,0|2,0,0]=4 509 B8R1.11 N#CC1=CC=CN1N W3457 [0,2,0,0,0,0|1,0,1]=4 510 B8R1.11 O=CC1=C(Cl)C=CS1 V7231 [0,2,0,0,0,0|0,1,1]=4 511 B8R1.11 OCC1=C(Br)C=CS1 1100AL [0,2,0,0,0,0|0,1,0]=3 512 B8R1.11 OCC1=C(Br)N=CS1 W4969 [0,2,0,0,0,0|1,1,0]=4 513 B8R1.18 C=C1CC(C)OC1=O 7069AL [0,2,0,0,0,0|0,0,2]=4 514 B8R1.18 CC1=C(Br)N=C(Br)S1 Z3973 [0,2,0,0,0,0|1,1,0]=4 515 B8R1.18 CC1=C(Br)NC(Br)=N1 V0763 [0,2,0,0,0,0|2,0,0]=4 516 B8R1.18 CC1=C(C)SC(N)=N1 Y9901 [0,2,0,0,0,0|1,1,0]=4 517 B8R1.18 CC1=C(C)SC(S)=N1 Y9375 [0,2,0,0,0,0|1,1,0]=4 518 B8R1.18 CC1=C(I)NC(I)=N1 V1383 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.18 CC1=CC(Br)=NN1C Z2700 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.18 CC1=CC(C)=C(Br)S1 0587AQ [0,2,0,0,0,0|0,1,0]=3 521 B8R1.18 CC1=CC(N)=NN1C Z2262 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.18 CC1=NC(Br)=C(C)S1 V8938 [0,2,0,0,0,0|1,1,0]=4 524 B8R1.18 CC1=NC(Br)=CN1C X4637 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.18 CC1=NC(C)=C(Br)S1 Y8561 [0,2,0,0,0,0|1,1,0]=4 526 B8R1.18 CC1=NC(C)=C(C)O1 0593AB [0,2,0,0,0,0|1,0,0]=3 527 B8R1.18 CC1=NN(C)C(Br)=C1 Y9520 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.18 CC1=NN(C)C=C1Br V6734 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.18 CC1=NN(C)C=C1I 7666AE [0,2,0,0,0,0|2,0,0]=4 530 B8R1.18 CC1=NN(C)C=C1N 0168AB [0,2,0,0,0,0|2,0,0]=4 531 B8R1.18 CC1=NN(C)C=C1N 9883AB [0,2,0,0,0,0|2,0,0]=4 532 B8R1.18 CN1C=C(Br)C(N)=N1 7288AA [0,2,0,0,0,0|2,0,0]=4 533 B8R1.50 CC1=C(C)C(N)=NN1 Z5327 [0,2,0,0,0,0|2,0,0]=4 534 B8R1.50 CC1=C(C)C(N)=NO1 V1317 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.50 CC1=C(N)N(C)C=N1 6311AJ [0,2,0,0,0,0|2,0,0]=4 536 B8R1.50 CC1=C(O)COC1=O 2737AL [0,2,0,0,0,0|1,0,1]=4 537 B8R1.50 CC1=CSC(=S)N1O 6061AL [0,2,0,0,0,0|2,0,0]=4 538 B8R1.50 CC1=NC=C(Br)N1C Y8402 [0,2,0,0,0,0|2,0,0]=4 539 B8R1.50 CC1=NNC(C)=C1Cl 5060AD [0,2,0,0,0,0|2,0,0]=4 540 B8R1.50 CC1=NOC(C)=C1N V0678 [0,2,0,0,0,0|1,0,0]=3 541 B8R1.50 CN1N=CC(Br)=C1N Y6934 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.50 O=C1OCC(Br)=C1Br 4605AD [0,2,0,0,0,0|1,0,1]=4 543 B6R1.1 C1=CC=NC=C1 8912AL [0,0,1,1,0,0|1,0,1]=4 544 B6R1.1 C1=CC=NC=C1 M059 [0,0,1,1,0,0|1,0,1]=4 545 B6R1.1 C1=CCOCC1 X4947 [0,0,1,1,0,0|0,0,2]=4 546 B8R2.34 C12C=CC(C=C1)C2 Y1757 [0,0,0,1,0,1|1,0,1]=4