0 B4R0.1 C#CC(C)=O P41295 [0,0,0,0,0,0|0,0,2]=2 1 B4R0.1 C#CC(C)N P51445 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#CC(N)=O O30795 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C#C[C@@H](C)N Q52993 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C#C[C@H](C)O Q52831 [0,0,0,0,0,0|0,0,4]=4 5 B4R0.1 C=C(C)CN P39039 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(=O)CN P45193 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.1 CC(Br)CO O34000 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)NO O30196 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(N)CS L19436 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(S)CN L19389 [0,0,0,0,0,0|1,1,1]=3 11 B4R0.1 C[C@@H](Cl)CO 10058 [0,0,0,0,0,0|2,0,1]=3 12 B3R0.1 CCNN H-8579 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.1 CCNN O31940 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.1 N#CCF Q53639 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.2 CC(=O)[O-] P38729 [1,0,0,0,0,0|1,0,0]=2 16 B3R0.2 CC(=O)[O-] P40879 [1,0,0,0,0,0|1,0,0]=2 17 B3R0.2 C[PH](C)=O O30537 [1,0,0,0,0,0|1,0,0]=2 18 B3R0.2 N=C(N)N 10428 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 C=C(C)CON P51484 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(N)CCO P39048 [0,1,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(O)CCN M22972 [0,1,0,0,0,0|0,0,2]=3 22 B5R0.1 CC(O)CON M15150 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.1 CCC[C@H](C)N I-9318 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.1 CNCC(C)O P40721 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.1 CNCC(F)F P41399 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.1 CNC[C@@H](C)O P41738 [0,1,0,0,0,0|0,0,2]=3 27 B5R0.1 CNC[C@H](C)O P36531 [0,1,0,0,0,0|0,0,2]=3 28 B5R0.1 COCC(=N)N O34478 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.1 COCC(C)Br O32164 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 C[C@@H](N)CCO F-4752 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.1 C[C@H](N)CC#N Q66038 [0,1,0,0,0,0|1,0,2]=4 32 B5R0.1 C[C@H](N)CCO F-4570 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.1 O=C(O)CCF A-698 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.1 OCCC(F)F P45589 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.3 C#CC(=O)NC L19171 [0,1,0,0,0,0|0,0,2]=3 36 B5R0.3 C#CC(O)CC P38163 [0,1,0,0,0,0|0,0,3]=4 37 B5R0.3 CC(CBr)CBr O34172 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.3 CC(CN)CO O30604 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.3 CCC(C)NN O30637 [0,1,0,0,0,0|1,0,1]=3 40 B5R0.3 CNC(=O)CBr P38653 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.3 CNC(=O)CN P37877 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.3 CNC(=O)CO P37539 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.3 CNC(C)CO M23268 [0,1,0,0,0,0|1,0,2]=4 44 B5R0.3 CN[C@@H](C)CO P38191 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.3 CN[C@H](C)CO P41018 [0,1,0,0,0,0|1,0,2]=4 46 B5R0.3 COC(=N)CCl P36514 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.3 COC(C)CN P36510 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.3 NCC(O)CF M23924 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.3 NC[C@@H](F)CO L22313 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.3 NC[C@@H](O)CCl Q69638 [0,1,0,0,0,0|1,0,2]=4 51 B5R0.3 NC[C@H](F)CO O33576 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.4 CC(C)(C)CBr P36951 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.4 CC(C)(F)CO P45778 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.4 CC(C)(O)CN G-7049 [0,1,0,0,0,0|1,0,2]=4 55 B5R0.4 CC(F)(F)CN M15293 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.4 CC[B-](F)(F)F Q66550 [0,1,0,0,0,0|3,0,0]=4 57 B5R0.4 CNS(N)(=O)=O O32727 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.4 C[Si](C)(C)CI M23058 [0,1,0,0,0,0|2,1,0]=4 59 B5R0.4 O=S(=O)([O-])CCl L19500 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.5 C=C(C)B(O)O P51397 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.5 C=C(F)C(=O)O P51526 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.5 CC(C)S(N)=O O29745 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.5 CC(Cl)C(=N)N L21176 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.5 CC(N)C(C)O P38125 [0,1,0,0,0,0|0,0,2]=3 65 B5R0.5 CC(N)C(F)F H-8439 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.5 CC(N)C(F)F H-8440 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.5 CC(N)C(N)=O P37963 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.5 CC(O)C(N)=O P39940 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.5 C[C@@H](O)C(=N)N P38252 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.5 C[C@H](O)C(=N)N P41718 [0,1,0,0,0,0|2,0,0]=3 72 B5R1.2 BrC1CNC1 D-2507 [0,0,0,1,0,0|2,0,1]=4 73 B5R1.2 BrC1CNC1 P39525 [0,0,0,1,0,0|2,0,1]=4 74 B5R1.2 BrC1COC1 C-2448 [0,0,0,1,0,0|2,0,1]=4 75 B5R1.2 C=C1CCC1 P49771 [0,0,0,1,0,0|1,0,0]=2 76 B5R1.2 C=C1COC1 Q53034 [0,0,0,1,0,0|2,0,0]=3 77 B5R1.2 CC1CCN1 M22690 [0,0,0,1,0,0|1,0,1]=3 78 B5R1.2 CC1CCN1 P44577 [0,0,0,1,0,0|1,0,1]=3 79 B5R1.2 CC1CCO1 Q53239 [0,0,0,1,0,0|0,0,2]=3 80 B5R1.2 CC1CNC1 C-2879 [0,0,0,1,0,0|2,0,1]=4 81 B5R1.2 C[C@@H]1CCN1 P45172 [0,0,0,1,0,0|1,0,1]=3 82 B5R1.2 C[C@@H]1CCO1 Q53238 [0,0,0,1,0,0|0,0,2]=3 83 B5R1.2 C[C@H]1CCN1 P44797 [0,0,0,1,0,0|1,0,1]=3 84 B5R1.2 C[C@H]1CCO1 Q53237 [0,0,0,1,0,0|0,0,2]=3 85 B5R1.2 ClC1CNC1 G-7722 [0,0,0,1,0,0|2,0,1]=4 86 B5R1.2 ClC1COC1 L21610 [0,0,0,1,0,0|2,0,1]=4 87 B5R1.2 FC1CNC1 A-433 [0,0,0,1,0,0|2,0,1]=4 88 B5R1.2 FC1CNC1 P45315 [0,0,0,1,0,0|2,0,1]=4 89 B5R1.2 IC1CCC1 L21363 [0,0,0,1,0,0|1,0,1]=3 90 B5R1.2 IC1CNC1 F-4497 [0,0,0,1,0,0|2,0,1]=4 91 B5R1.2 IC1COC1 C-2449 [0,0,0,1,0,0|2,0,1]=4 92 B5R1.2 NC1CCC1 P45382 [0,0,0,1,0,0|1,0,1]=3 93 B5R1.2 NC1CNC1 L13523 [0,0,0,1,0,0|2,0,1]=4 94 B5R1.2 NC1COC1 C-2472 [0,0,0,1,0,0|2,0,1]=4 95 B5R1.2 NC1COC1 O31926 [0,0,0,1,0,0|2,0,1]=4 96 B5R1.2 NC1CSC1 G-6637 [0,0,0,1,0,0|2,0,1]=4 97 B5R1.2 NC1CSC1 Q58806 [0,0,0,1,0,0|2,0,1]=4 98 B5R1.2 NC1CSC1 S72763 [0,0,0,1,0,0|2,0,1]=4 99 B5R1.2 O=C1CCN1 P35040 [0,0,0,1,0,0|1,0,0]=2 100 B5R1.2 O=C1CNC1 C-2452 [0,0,0,1,0,0|1,0,0]=2 101 B5R1.2 O=C1COC1 A-880 [0,0,0,1,0,0|1,0,0]=2 102 B5R1.2 O=C1CSC1 A-895 [0,0,0,1,0,0|1,0,0]=2 103 B5R1.2 OC1CNC1 A-407 [0,0,0,1,0,0|1,0,2]=4 104 B5R1.2 OC1CNC1 O28030 [0,0,0,1,0,0|1,0,2]=4 105 B5R1.2 OC1COC1 B-1102 [0,0,0,1,0,0|1,0,2]=4 106 B5R1.2 OC1CSC1 L21497 [0,0,0,1,0,0|1,0,2]=4 107 B5R1.2 SC1CNC1 G-7240 [0,0,0,1,0,0|1,1,1]=4 108 B5R1.2 SC1COC1 G-6845 [0,0,0,1,0,0|1,1,1]=4 109 B5R1.3 CNC1CC1 G-6453 [0,0,0,1,0,0|2,0,1]=4 110 B5R1.3 ClCC1CS1 H-8564 [0,0,0,1,0,0|1,1,1]=4 111 B5R1.3 ICC1CC1 P38738 [0,0,0,1,0,0|2,0,1]=4 112 B5R1.3 SCC1CC1 F-4776 [0,0,0,1,0,0|2,0,1]=4 113 B5R1.4 NC1CC1F O33119 [0,0,0,1,0,0|2,0,1]=4 114 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [0,0,0,1,0,0|2,0,1]=4 115 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [0,0,0,1,0,0|2,0,1]=4 116 B5R1.5 CC1(Br)CC1 L14741 [0,0,0,1,0,0|1,0,1]=3 117 B5R1.5 CC1(N)CC1 F-4521 [0,0,0,1,0,0|1,0,1]=3 118 B5R1.5 CC1(O)CC1 F-4583 [0,0,0,1,0,0|0,0,2]=3 119 B2R0.1 O=[Pt]=O L21549 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.2 C#CCCI P38108 [1,1,0,0,0,0|0,0,2]=4 121 B4R0.2 C#CCCN O34440 [1,1,0,0,0,0|0,0,2]=4 122 B4R0.2 C#CCNC P38619 [1,1,0,0,0,0|0,0,2]=4 123 B4R0.2 C#COCC P35055 [1,1,0,0,0,0|0,0,2]=4 124 B4R0.2 C=CCCN L22153 [1,1,0,0,0,0|0,0,1]=3 125 B4R0.2 C=CCNN O31326 [1,1,0,0,0,0|1,0,1]=4 126 B4R0.2 CC#CCBr P38739 [1,1,0,0,0,0|0,0,2]=4 127 B4R0.2 CCCNN O30752 [1,1,0,0,0,0|1,0,1]=4 128 B4R0.2 CNCCBr O34465 [1,1,0,0,0,0|1,0,0]=3 129 B4R0.2 COCC=O F-4461 [1,1,0,0,0,0|0,0,0]=2 130 B4R0.2 COCCI O28025 [1,1,0,0,0,0|1,0,0]=3 131 B4R0.2 CSCCBr O31085 [1,1,0,0,0,0|1,0,0]=3 132 B4R0.2 CSCCN P36563 [1,1,0,0,0,0|1,0,0]=3 133 B4R0.2 NCCCS A-986 [1,1,0,0,0,0|0,1,1]=4 134 B4R0.2 NCCCS M15465 [1,1,0,0,0,0|0,1,1]=4 135 B4R0.3 CP(C)(=O)[O-] L20273 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.1 CCC(=O)CC#N P38761 [0,2,0,0,0,0|0,0,0]=2 137 B6R0.1 CCC(S)CCO O29430 [0,2,0,0,0,0|0,1,1]=4 138 B6R0.1 CCC[C@@H](N)CO P35977 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.1 CCC[C@H](N)CO P39535 [0,2,0,0,0,0|1,0,1]=4 140 B6R0.1 CCN(C)CCO Q66070 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.1 CCNC(=O)CN P39222 [0,2,0,0,0,0|0,0,0]=2 142 B6R0.1 CCNC(=O)CO O31312 [0,2,0,0,0,0|0,0,0]=2 143 B6R0.1 CCNC(=O)NC M15284 [0,2,0,0,0,0|0,0,0]=2 144 B6R0.1 CCOC(=N)CCl P38507 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.1 CNC(=O)CCCl P38167 [0,2,0,0,0,0|0,0,0]=2 146 B6R0.1 CNC(=O)CCN P37692 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.1 CNCC(=O)NC P37691 [0,2,0,0,0,0|0,0,0]=2 148 B6R0.1 CNCC(=O)NC P38046 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.2 CC(=O)NC(C)C P50955 [0,2,0,0,0,0|0,0,0]=2 150 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,2,0,0,0,0|0,0,2]=4 151 B6R0.2 CC(N)CN(C)C P42731 [0,2,0,0,0,0|1,0,1]=4 152 B6R0.2 CC(O)CC(=O)O P38963 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.2 CN(C)CC(N)=O P36935 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.2 C[C@@H](N)CN(C)C P38236 [0,2,0,0,0,0|1,0,1]=4 157 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.2 C[C@H](N)CN(C)C P35926 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,2,0,0,0,0|1,0,0]=3 161 B6R0.3 C#CC(=O)N(C)C L19965 [0,2,0,0,0,0|0,0,2]=4 162 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,2,0,0,0,0|1,0,0]=3 163 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,2,0,0,0,0|1,0,0]=3 164 B6R0.3 CC(C)C(C)NN P42479 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.3 CC(C)C(O)CN P40479 [0,2,0,0,0,0|0,0,2]=4 166 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,2,0,0,0,0|1,0,1]=4 167 B6R0.3 CCC(C)C(C)N O31127 [0,2,0,0,0,0|1,0,1]=4 168 B6R0.3 CCC(N)C(C)O L20519 [0,2,0,0,0,0|0,0,2]=4 169 B6R0.3 CCC(N)C(N)=O P35312 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,2,0,0,0,0|1,0,0]=3 173 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.3 CN(C)C(=O)CN P36418 [0,2,0,0,0,0|1,0,0]=3 175 B6R0.3 CNC(=O)C(C)N P38407 [0,2,0,0,0,0|0,0,0]=2 176 B6R0.3 CNC(=O)[C@@H](C)N P37080 [0,2,0,0,0,0|0,0,0]=2 177 B6R0.3 CNC(=O)[C@H](C)N P37082 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.3 CNC(C)C(N)=O P41317 [0,2,0,0,0,0|1,0,0]=3 179 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [0,2,0,0,0,0|1,0,0]=3 181 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.3 C[C@H](CN)C(=O)O Q69061 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.3 C[C@H](CN)C(=O)O Q69064 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,2,0,0,0,0|1,0,1]=4 186 B6R0.3 C\C=C(\C)B(O)O O32816 [0,2,0,0,0,0|0,0,2]=4 187 B6R0.3 NCC(N)C(=O)O P37494 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.3 NCC(O)C(=O)O O28965 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.3 NC[C@@H](O)C(=O)O 10685 [0,2,0,0,0,0|1,0,0]=3 190 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.4 C#CCCC(C)O L18987 [0,2,0,0,0,0|0,0,2]=4 192 B6R0.4 C#CCNC(C)=O P36776 [0,2,0,0,0,0|0,0,1]=3 193 B6R0.4 C#CCOC(N)=O O30954 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.4 CC(Br)CCC#N L20214 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.4 CC(C)CCON L20789 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.4 CC(C)NCCCl O34399 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.4 CCNCC(=O)O P37534 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.4 CCNCC(N)=O P36580 [0,2,0,0,0,0|1,0,0]=3 199 B6R0.4 CN(C)CCCBr O34500 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.4 CNCCC(=O)O P36779 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.4 CNCCC(=O)O P39205 [0,2,0,0,0,0|1,0,0]=3 202 B6R0.4 CNCCC(C)O P38146 [0,2,0,0,0,0|0,0,2]=4 203 B6R0.4 CNCCC(N)=O P37896 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.4 O=C(O)\C=C\CBr P41388 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.4 O=CNCC(=O)O P39379 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [0,2,0,0,0,0|2,0,0]=4 207 B6R0.5 CC(C)(C)CCN O30845 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.5 CC(C)(O)CCBr H-8053 [0,2,0,0,0,0|0,0,2]=4 209 B6R0.5 CC(C)(O)CCN M22892 [0,2,0,0,0,0|0,0,2]=4 210 B6R0.5 CCCS(N)(=O)=O O34092 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.5 CNCC(C)(C)C P38864 [0,2,0,0,0,0|1,0,1]=4 212 B6R0.5 CNCC(C)(C)O F-4611 [0,2,0,0,0,0|0,0,2]=4 213 B6R0.5 COCC(C)(C)N P39356 [0,2,0,0,0,0|1,0,1]=4 214 B6R0.5 CS(=O)(=O)CCBr H-8028 [0,2,0,0,0,0|1,0,0]=3 215 B6R0.5 CS(=O)(=O)CCCl O31078 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.5 CS(=O)(=O)CCN P43261 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.5 O=P(Cl)(Cl)CCCl L21207 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.8 C#CC(C)(N)CC M15500 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.8 CCC(C)(C)CO O30180 [0,2,0,0,0,0|0,0,2]=4 220 B6R0.9 CCC(CC)NN O31133 [0,2,0,0,0,0|1,0,1]=4 221 B6R0.7 CC(C)(C)S(N)=O G-6674 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.7 CC(C)(N)C(N)=O P40473 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.7 CC(C)C(C)(C)N O32138 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.7 O=C(O)C(F)(F)F H-8200 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.7 O=C(O)C(F)(F)F O33159 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.7 O=C(O)C(F)(F)F O33161 [0,2,0,0,0,0|2,0,0]=4 227 B6R0.7 O=C(O)C(F)(F)F P48132 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.7 O=C(O)C(F)(F)F P49801 [0,2,0,0,0,0|2,0,0]=4 229 B6R0.7 O=C(O)C(F)(F)F P50106 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.7 O=C(O)C(F)(F)F P50453 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.7 O=C(O)C(F)(F)F Q57096 [0,2,0,0,0,0|2,0,0]=4 232 B6R0.7 O=C(O)C(F)(F)F Q66175 [0,2,0,0,0,0|2,0,0]=4 233 B4R1.1 C1CNC1 C-3559 [1,0,0,1,0,0|1,0,0]=3 234 B4R1.2 OC1CC1 L13591 [1,0,0,1,0,0|0,0,2]=4 235 B6R1.2 BrC1CCOC1 C-3309 [0,1,0,1,0,0|1,0,1]=4 236 B6R1.2 CC1CCCN1 Q61737 [0,1,0,1,0,0|1,0,1]=4 237 B6R1.2 CC1CCNC1 M22664 [0,1,0,1,0,0|1,0,1]=4 238 B6R1.2 C[C@@H]1CCCN1 L14631 [0,1,0,1,0,0|1,0,1]=4 239 B6R1.2 C[C@@H]1CCNC1 L13628 [0,1,0,1,0,0|1,0,1]=4 240 B6R1.2 C[C@H]1CCNC1 L14084 [0,1,0,1,0,0|1,0,1]=4 241 B6R1.2 ClC1CCNC1 P42791 [0,1,0,1,0,0|1,0,1]=4 242 B6R1.2 FC1=CCNC1 Q63558 [0,1,0,1,0,0|1,0,1]=4 243 B6R1.2 FC1CCNC1 A-349 [0,1,0,1,0,0|1,0,1]=4 244 B6R1.2 FC1CCNC1 C-2208 [0,1,0,1,0,0|1,0,1]=4 245 B6R1.2 FC1CCNC1 P51370 [0,1,0,1,0,0|1,0,1]=4 246 B6R1.2 F[C@@H]1CCNC1 O33274 [0,1,0,1,0,0|1,0,1]=4 247 B6R1.2 F[C@H]1CCNC1 A-348 [0,1,0,1,0,0|1,0,1]=4 248 B6R1.2 F[C@H]1CCNC1 L22005 [0,1,0,1,0,0|1,0,1]=4 249 B6R1.2 IC1=COCC1 Q53484 [0,1,0,1,0,0|1,0,1]=4 250 B6R1.2 IC1CCCC1 I-9679 [0,1,0,1,0,0|1,0,1]=4 251 B6R1.2 IC1CCOC1 C-3308 [0,1,0,1,0,0|1,0,1]=4 252 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,1,0,1,0,0|1,0,1]=4 253 B6R1.2 I[C@H]1CCOC1 G-5349 [0,1,0,1,0,0|1,0,1]=4 254 B6R1.2 NC1CCOC1 B-1171 [0,1,0,1,0,0|1,0,1]=4 255 B6R1.2 NC1CCOC1 P39935 [0,1,0,1,0,0|1,0,1]=4 256 B6R1.2 NN1CCCC1 M23462 [0,1,0,1,0,0|2,0,0]=4 257 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,1,0,1,0,0|1,0,1]=4 258 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,1,0,1,0,0|1,0,1]=4 259 B6R1.2 N[C@H]1CCOC1 F-4071 [0,1,0,1,0,0|1,0,1]=4 260 B6R1.2 N[C@H]1CCOC1 G-5145 [0,1,0,1,0,0|1,0,1]=4 261 B6R1.2 O=C1CCNC1 C-2247 [0,1,0,1,0,0|0,0,0]=2 262 B6R1.2 O=C1CCNC1 S72535 [0,1,0,1,0,0|0,0,0]=2 263 B6R1.2 O=C1CCOC1 B-1767 [0,1,0,1,0,0|0,0,0]=2 264 B6R1.2 O=C1CCSC1 G-7753 [0,1,0,1,0,0|0,0,0]=2 265 B6R1.2 OC1CCNC1 G-5959 [0,1,0,1,0,0|0,0,2]=4 266 B6R1.2 OC1CCNC1 I-9548 [0,1,0,1,0,0|0,0,2]=4 267 B6R1.2 OC1CCOC1 C-3328 [0,1,0,1,0,0|0,0,2]=4 268 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,1,0,1,0,0|0,0,2]=4 269 B6R1.2 O[C@H]1CCOC1 G-6766 [0,1,0,1,0,0|0,0,2]=4 270 B6R1.2 S=C1NCCO1 O31137 [0,1,0,1,0,0|1,0,1]=4 271 B6R1.3 BrCCC1CC1 O33551 [0,1,0,1,0,0|1,0,1]=4 272 B6R1.3 BrCC[C@H]1CO1 P51572 [0,1,0,1,0,0|0,0,2]=4 273 B6R1.3 CCNC1CC1 P36705 [0,1,0,1,0,0|1,0,1]=4 274 B6R1.3 CNCC1CC1 L13551 [0,1,0,1,0,0|1,0,1]=4 275 B6R1.3 ICCC1CC1 I-9916 [0,1,0,1,0,0|1,0,1]=4 276 B6R1.3 NCCC1CC1 G-5988 [0,1,0,1,0,0|1,0,1]=4 277 B6R1.3 NCCN1CC1 P45652 [0,1,0,1,0,0|2,0,0]=4 278 B6R1.3 OCCC1CC1 G-5984 [0,1,0,1,0,0|1,0,1]=4 279 B6R1.5 C=C1CC(N)C1 P48610 [0,1,0,1,0,0|1,0,0]=3 280 B6R1.5 C=C1CC(O)C1 P45320 [0,1,0,1,0,0|1,0,0]=3 281 B6R1.5 CC1CC(=O)C1 L18001 [0,1,0,1,0,0|0,0,0]=2 282 B6R1.5 CC1CC(C)N1 P47027 [0,1,0,1,0,0|1,0,1]=4 283 B6R1.5 CC1CC(C)N1 P48835 [0,1,0,1,0,0|1,0,1]=4 284 B6R1.5 CC1CC(N)C1 P44935 [0,1,0,1,0,0|1,0,1]=4 285 B6R1.5 CC1CC(N)C1 P44936 [0,1,0,1,0,0|1,0,1]=4 286 B6R1.5 CC1CC(O)C1 P44316 [0,1,0,1,0,0|0,0,2]=4 287 B6R1.5 CN1CC(=O)C1 L18430 [0,1,0,1,0,0|0,0,0]=2 288 B6R1.5 CN1CC(=O)C1 P49738 [0,1,0,1,0,0|0,0,0]=2 289 B6R1.5 CN1CC(Cl)C1 P45381 [0,1,0,1,0,0|1,0,1]=4 290 B6R1.5 CN1CC(Cl)C1 Q56193 [0,1,0,1,0,0|1,0,1]=4 291 B6R1.5 CN1CC(N)C1 C-2453 [0,1,0,1,0,0|1,0,1]=4 292 B6R1.5 CN1CC(N)C1 O28765 [0,1,0,1,0,0|1,0,1]=4 293 B6R1.5 CN1CC(O)C1 C-2454 [0,1,0,1,0,0|0,0,2]=4 294 B6R1.5 CN1CC(O)C1 C-2454-1 [0,1,0,1,0,0|0,0,2]=4 295 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [0,1,0,1,0,0|1,0,1]=4 296 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [0,1,0,1,0,0|1,0,1]=4 297 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,1,0,1,0,0|1,0,1]=4 298 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,1,0,1,0,0|1,0,1]=4 299 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,1,0,1,0,0|0,0,2]=4 300 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [0,1,0,1,0,0|1,0,1]=4 301 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,1,0,1,0,0|1,0,1]=4 302 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,1,0,1,0,0|1,0,1]=4 303 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,1,0,1,0,0|0,0,2]=4 304 B6R1.5 NC1CC(=O)C1 C-3677 [0,1,0,1,0,0|0,0,0]=2 305 B6R1.5 NC1CC(=O)C1 P44186 [0,1,0,1,0,0|0,0,0]=2 306 B6R1.5 NC1CC(F)C1 C-3436 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.5 NC1CC(F)C1 C-3436-1 [0,1,0,1,0,0|1,0,1]=4 308 B6R1.5 NC1CC(N)C1 G-7909 [0,1,0,1,0,0|1,0,1]=4 309 B6R1.5 NC1CC(N)C1 P48839 [0,1,0,1,0,0|1,0,1]=4 310 B6R1.5 NC1CC(O)C1 C-3623 [0,1,0,1,0,0|0,0,2]=4 311 B6R1.5 NC1CC(O)C1 L13650 [0,1,0,1,0,0|0,0,2]=4 312 B6R1.5 NN1CC(O)C1 L18024 [0,1,0,1,0,0|2,0,0]=4 313 B6R1.5 NN1CC(O)C1 P44948 [0,1,0,1,0,0|2,0,0]=4 314 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [0,1,0,1,0,0|1,0,1]=4 315 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [0,1,0,1,0,0|1,0,1]=4 316 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [0,1,0,1,0,0|1,0,1]=4 317 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [0,1,0,1,0,0|1,0,1]=4 318 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [0,1,0,1,0,0|1,0,1]=4 319 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [0,1,0,1,0,0|0,0,2]=4 320 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [0,1,0,1,0,0|0,0,2]=4 321 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [0,1,0,1,0,0|1,0,1]=4 322 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [0,1,0,1,0,0|1,0,1]=4 323 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [0,1,0,1,0,0|1,0,1]=4 324 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [0,1,0,1,0,0|1,0,1]=4 325 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [0,1,0,1,0,0|0,0,2]=4 326 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [0,1,0,1,0,0|0,0,2]=4 327 B6R1.5 O=C1CC(Br)C1 G-6311 [0,1,0,1,0,0|0,0,0]=2 328 B6R1.5 O=C1CC(F)C1 H-8760 [0,1,0,1,0,0|0,0,0]=2 329 B6R1.5 O=C1CC(O)C1 F-4733 [0,1,0,1,0,0|0,0,0]=2 330 B6R1.5 OC1CC(F)C1 I-9823 [0,1,0,1,0,0|0,0,2]=4 331 B6R1.5 OC1CC(O)C1 P45378 [0,1,0,1,0,0|0,0,2]=4 332 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [0,1,0,1,0,0|0,0,2]=4 333 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [0,1,0,1,0,0|0,0,2]=4 334 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [0,1,0,1,0,0|0,0,2]=4 335 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [0,1,0,1,0,0|0,0,2]=4 336 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,1,0,1,0,0|0,0,2]=4 337 B6R1.9 CC1(C)CC1Br O33124 [0,1,0,1,0,0|1,0,1]=4 338 B6R1.10 CC1(Br)CCC1 P45156 [0,1,0,1,0,0|1,0,1]=4 339 B6R1.10 CC1(C)CCN1 P49830 [0,1,0,1,0,0|1,0,1]=4 340 B6R1.10 CC1(C)CCN1 P49838 [0,1,0,1,0,0|1,0,1]=4 341 B6R1.10 CC1(C)CNC1 G-7241 [0,1,0,1,0,0|1,0,1]=4 342 B6R1.10 CC1(C)CNC1 P46487 [0,1,0,1,0,0|1,0,1]=4 343 B6R1.10 CC1(Cl)CNC1 P45910 [0,1,0,1,0,0|1,0,1]=4 344 B6R1.10 CC1(F)CNC1 G-7993 [0,1,0,1,0,0|1,0,1]=4 345 B6R1.10 CC1(F)CNC1 P48538 [0,1,0,1,0,0|1,0,1]=4 346 B6R1.10 CC1(I)CCC1 P44701 [0,1,0,1,0,0|1,0,1]=4 347 B6R1.10 CC1(I)COC1 Q55935 [0,1,0,1,0,0|1,0,1]=4 348 B6R1.10 CC1(N)CCC1 L13595 [0,1,0,1,0,0|1,0,1]=4 349 B6R1.10 CC1(N)CCC1 P45646 [0,1,0,1,0,0|1,0,1]=4 350 B6R1.10 CC1(N)CNC1 C-3560 [0,1,0,1,0,0|1,0,1]=4 351 B6R1.10 CC1(N)CNC1 P48044 [0,1,0,1,0,0|1,0,1]=4 352 B6R1.10 CC1(N)COC1 C-2450 [0,1,0,1,0,0|1,0,1]=4 353 B6R1.10 CC1(N)COC1 C-2981 [0,1,0,1,0,0|1,0,1]=4 354 B6R1.10 CC1(N)CSC1 L14368 [0,1,0,1,0,0|1,0,1]=4 355 B6R1.10 CC1(N)CSC1 Q55807 [0,1,0,1,0,0|1,0,1]=4 356 B6R1.10 CC1(O)CCC1 P39996 [0,1,0,1,0,0|0,0,2]=4 357 B6R1.10 CC1(O)CNC1 D-2563 [0,1,0,1,0,0|0,0,2]=4 358 B6R1.10 CC1(O)CNC1 P45881 [0,1,0,1,0,0|0,0,2]=4 359 B6R1.10 CC1(O)COC1 G-6552 [0,1,0,1,0,0|0,0,2]=4 360 B6R1.10 CC1(O)CSC1 L14102 [0,1,0,1,0,0|0,0,2]=4 361 B6R1.11 CC(N)C1CC1 A-640 [0,1,0,1,0,0|1,0,1]=4 362 B6R1.11 CC(N)C1CC1 A-640-HCL [0,1,0,1,0,0|1,0,1]=4 363 B6R1.11 C[C@@H](N)C1CC1 P46530 [0,1,0,1,0,0|1,0,1]=4 364 B6R1.11 C[C@H](N)C1CC1 L14639 [0,1,0,1,0,0|1,0,1]=4 365 B6R1.11 C[C@H](O)C1CC1 K13410 [0,1,0,1,0,0|0,0,2]=4 366 B6R1.4 CC1CCC1=O P47956 [0,1,0,1,0,0|0,0,0]=2 367 B6R1.4 CC1CCC1N P44937 [0,1,0,1,0,0|1,0,1]=4 368 B6R1.4 CC1CCC1N P47065 [0,1,0,1,0,0|1,0,1]=4 369 B6R1.4 CC1CCC1O L20058 [0,1,0,1,0,0|0,0,2]=4 370 B6R1.4 CC1CNC1C P45190 [0,1,0,1,0,0|1,0,1]=4 371 B6R1.4 CC1CNC1C P46961 [0,1,0,1,0,0|1,0,1]=4 372 B6R1.4 CC1NCC1F P47439 [0,1,0,1,0,0|1,0,1]=4 373 B6R1.4 CC1NCC1F P47451 [0,1,0,1,0,0|1,0,1]=4 374 B6R1.4 CC1NCC1O P44849 [0,1,0,1,0,0|0,0,2]=4 375 B6R1.4 CC1NCC1O P44851 [0,1,0,1,0,0|0,0,2]=4 376 B6R1.4 CC1OCC1=O L18036 [0,1,0,1,0,0|0,0,0]=2 377 B6R1.4 CC1OCC1Br Q56171 [0,1,0,1,0,0|0,0,2]=4 378 B6R1.4 CC1OCC1I Q56172 [0,1,0,1,0,0|0,0,2]=4 379 B6R1.4 CC1OCC1N Q56170 [0,1,0,1,0,0|0,0,2]=4 380 B6R1.4 CC1OCC1O L18037 [0,1,0,1,0,0|0,0,2]=4 381 B6R1.4 C[C@@H]1NCC1F P50109 [0,1,0,1,0,0|1,0,1]=4 382 B6R1.4 C[C@@H]1NCC1O P47321 [0,1,0,1,0,0|0,0,2]=4 383 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [0,1,0,1,0,0|1,0,1]=4 384 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [0,1,0,1,0,0|1,0,1]=4 385 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,1,0,1,0,0|0,0,2]=4 386 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,1,0,1,0,0|0,0,2]=4 387 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,1,0,1,0,0|0,0,2]=4 388 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,1,0,1,0,0|0,0,2]=4 389 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [0,1,0,1,0,0|1,0,1]=4 390 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [0,1,0,1,0,0|1,0,1]=4 391 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,1,0,1,0,0|0,0,2]=4 392 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,1,0,1,0,0|0,0,2]=4 393 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,1,0,1,0,0|0,0,2]=4 394 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,1,0,1,0,0|0,0,2]=4 395 B6R1.4 C[C@H]1NCC1F P50084 [0,1,0,1,0,0|1,0,1]=4 396 B6R1.4 C[C@H]1NCC1O P50087 [0,1,0,1,0,0|0,0,2]=4 397 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [0,1,0,1,0,0|1,0,1]=4 398 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,1,0,1,0,0|0,0,2]=4 399 B6R1.4 C[C@H]1NC[C@H]1F P50081 [0,1,0,1,0,0|1,0,1]=4 400 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,1,0,1,0,0|0,0,2]=4 401 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,1,0,1,0,0|0,0,2]=4 402 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,1,0,1,0,0|0,0,2]=4 403 B6R1.4 NC1CCC1F P47239 [0,1,0,1,0,0|1,0,1]=4 404 B6R1.4 NC1CCC1F Q56123 [0,1,0,1,0,0|1,0,1]=4 405 B6R1.4 NC1CCC1O P45290 [0,1,0,1,0,0|0,0,2]=4 406 B6R1.4 NC1CCC1O P48134 [0,1,0,1,0,0|0,0,2]=4 407 B6R1.4 NN1CCC1=O P48248 [0,1,0,1,0,0|1,0,0]=3 408 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,1,0,1,0,0|0,0,2]=4 409 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,1,0,1,0,0|0,0,2]=4 410 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,1,0,1,0,0|0,0,2]=4 411 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,1,0,1,0,0|0,0,2]=4 412 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,1,0,1,0,0|0,0,2]=4 413 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,1,0,1,0,0|0,0,2]=4 414 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,1,0,1,0,0|0,0,2]=4 415 B6R1.4 N[C@@H]1CNC1=O P44692 [0,1,0,1,0,0|1,0,0]=3 416 B6R1.4 N[C@@H]1CNC1=O P50494 [0,1,0,1,0,0|1,0,0]=3 417 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,1,0,1,0,0|0,0,2]=4 418 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,1,0,1,0,0|0,0,2]=4 419 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,1,0,1,0,0|0,0,2]=4 420 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,1,0,1,0,0|0,0,2]=4 421 B6R1.4 N[C@H]1CNC1=O P44185 [0,1,0,1,0,0|1,0,0]=3 422 B6R1.4 N[C@H]1CNC1=O Q52584 [0,1,0,1,0,0|1,0,0]=3 423 B6R1.4 O=C1CCC1Br P49445 [0,1,0,1,0,0|0,0,0]=2 424 B6R1.4 O=C1CCC1O P47312 [0,1,0,1,0,0|0,0,0]=2 425 B6R1.4 O=C1NCC1O P45440 [0,1,0,1,0,0|1,0,0]=3 426 B6R1.4 OC1CCC1F P46352 [0,1,0,1,0,0|0,0,2]=4 427 B6R1.4 OC1CCC1O P50009 [0,1,0,1,0,0|0,0,2]=4 428 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,1,0,1,0,0|0,0,2]=4 429 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,1,0,1,0,0|0,0,2]=4 430 B6R1.6 BrCC1CCO1 F-4066 [0,1,0,1,0,0|0,0,2]=4 431 B6R1.6 C#CC1CCC1 P45543 [0,1,0,1,0,0|1,0,1]=4 432 B6R1.6 CCC1CCN1 P47056 [0,1,0,1,0,0|1,0,1]=4 433 B6R1.6 CCC1CCN1 P48764 [0,1,0,1,0,0|1,0,1]=4 434 B6R1.6 CCC1CNC1 P45196 [0,1,0,1,0,0|1,0,1]=4 435 B6R1.6 CCC1CNC1 P47098 [0,1,0,1,0,0|1,0,1]=4 436 B6R1.6 CNC1CCC1 O34360 [0,1,0,1,0,0|1,0,1]=4 437 B6R1.6 CNC1CCC1 P45733 [0,1,0,1,0,0|1,0,1]=4 438 B6R1.6 ClCC1CCC1 M23070 [0,1,0,1,0,0|1,0,1]=4 439 B6R1.6 FCC1CCN1 P47490 [0,1,0,1,0,0|1,0,1]=4 440 B6R1.6 FC[C@@H]1CCN1 P45171 [0,1,0,1,0,0|1,0,1]=4 441 B6R1.6 FC[C@H]1CCN1 P47579 [0,1,0,1,0,0|1,0,1]=4 442 B6R1.6 ICC1CCC1 H-8778 [0,1,0,1,0,0|1,0,1]=4 443 B6R1.6 ICC1CCO1 G-7249 [0,1,0,1,0,0|0,0,2]=4 444 B6R1.6 N#CC1CCC1 G-7033 [0,1,0,1,0,0|1,0,1]=4 445 B6R1.6 NCC1CCC1 C-2308 [0,1,0,1,0,0|1,0,1]=4 446 B6R1.6 NCC1CCC1 L13986 [0,1,0,1,0,0|1,0,1]=4 447 B6R1.6 NCC1CCN1 G-5892 [0,1,0,1,0,0|1,0,1]=4 448 B6R1.6 NCC1CCN1 P49927 [0,1,0,1,0,0|1,0,1]=4 449 B6R1.6 NCC1CCO1 F-4044 [0,1,0,1,0,0|0,0,2]=4 450 B6R1.6 NCC1CCS1 Q58811 [0,1,0,1,0,0|0,1,1]=4 451 B6R1.6 NC[C@@H]1CCO1 Q56226 [0,1,0,1,0,0|0,0,2]=4 452 B6R1.6 NC[C@H]1CCO1 Q64388 [0,1,0,1,0,0|0,0,2]=4 453 B6R1.6 NNC1CCC1 O30528 [0,1,0,1,0,0|1,0,1]=4 454 B6R1.6 NNC1CCC1 O31125 [0,1,0,1,0,0|1,0,1]=4 455 B6R1.6 NNC1CCC1 P44553 [0,1,0,1,0,0|1,0,1]=4 456 B6R1.6 O=CC1COC1 L21547 [0,1,0,1,0,0|1,0,1]=4 457 B6R1.6 OCC1CCN1 G-7151 [0,1,0,1,0,0|1,0,1]=4 458 B6R1.6 OCC1CCO1 F-4043 [0,1,0,1,0,0|0,0,2]=4 459 B6R1.6 OC[C@@H]1CCN1 B-1106 [0,1,0,1,0,0|1,0,1]=4 460 B6R1.6 OC[C@@H]1CCN1 P36030 [0,1,0,1,0,0|1,0,1]=4 461 B6R1.6 OC[C@@H]1CCO1 Q56225 [0,1,0,1,0,0|0,0,2]=4 462 B6R1.6 OC[C@H]1CCN1 B-1105 [0,1,0,1,0,0|1,0,1]=4 463 B6R1.6 OC[C@H]1CCN1 P35007 [0,1,0,1,0,0|1,0,1]=4 464 B6R1.6 OC[C@H]1CCO1 Q53294 [0,1,0,1,0,0|0,0,2]=4 465 B6R1.6 ON=C1CCC1 P45801 [0,1,0,1,0,0|0,0,1]=3 466 B6R1.7 C#CC1(C)CC1 K12431 [0,1,0,1,0,0|1,0,1]=4 467 B6R1.7 CC1(C#N)CC1 K12466 [0,1,0,1,0,0|1,0,1]=4 468 B6R1.7 CC1(CN)CC1 P51452 [0,1,0,1,0,0|1,0,1]=4 469 B6R1.7 CC1(CO)CC1 L14025 [0,1,0,1,0,0|0,0,2]=4 470 B6R1.7 CCC1(N)CC1 L14212 [0,1,0,1,0,0|1,0,1]=4 471 B6R1.7 NC1(CO)CC1 G-6370 [0,1,0,1,0,0|1,0,1]=4 472 B6R1.7 NC1(CO)CC1 I-9535 [0,1,0,1,0,0|1,0,1]=4 473 B6R1.7 NCC1(F)CC1 Q56224 [0,1,0,1,0,0|1,0,1]=4 474 B6R1.7 NCC1(O)CC1 F-4842 [0,1,0,1,0,0|0,0,2]=4 475 B6R2.4 C1CC2OC12 Q57471 [0,0,0,2,0,0|0,0,2]=4 476 B6R2.4 C1NC2CC12 Q58520 [0,0,0,2,0,0|1,0,1]=4