0 B3R0.1 CCNN H-8579 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 CCNN O31940 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 N#CCF Q53639 [0,0,0,0,0,0|2,0,1]=3 3 B2R0.1 Cl[Pt]Cl K12017 [1,0,0,0,0,0|3,0,0]=4 4 B2R0.1 O=[Pt]=O L21549 [1,0,0,0,0,0|2,1,0]=4 5 B4R0.1 C#CC(C)=O P41295 [0,1,0,0,0,0|1,0,2]=4 6 B4R0.1 C#CC(C)N P51445 [0,1,0,0,0,0|1,0,1]=3 7 B4R0.1 C#C[C@@H](C)N Q52993 [0,1,0,0,0,0|1,0,1]=3 8 B4R0.1 C#C[C@H](C)O Q52831 [0,1,0,0,0,0|1,0,1]=3 9 B4R0.1 C=C(C)CN P39039 [0,1,0,0,0,0|1,0,1]=3 10 B4R0.1 CC(=O)CN P45193 [0,1,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(Br)CO O34000 [0,1,0,0,0,0|0,1,0]=2 12 B4R0.1 CC(C)NO O30196 [0,1,0,0,0,0|1,1,0]=3 13 B4R0.1 CC(N)CS L19436 [0,1,0,0,0,0|0,0,0]=1 14 B4R0.1 CC(S)CN L19389 [0,1,0,0,0,0|1,0,0]=2 15 B4R0.1 C[C@@H](Cl)CO 10058 [0,1,0,0,0,0|0,1,0]=2 16 B4R0.2 C#CCCI P38108 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.2 C#CCCN O34440 [0,1,0,0,0,0|1,0,1]=3 18 B4R0.2 C#CCNC P38619 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.2 C#COCC P35055 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.2 C=CCCN L22153 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.2 C=CCNN O31326 [0,1,0,0,0,0|1,0,2]=4 22 B4R0.2 CC#CCBr P38739 [0,1,0,0,0,0|1,0,1]=3 23 B4R0.2 CCCNN O30752 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.2 CNCCBr O34465 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.2 COCC=O F-4461 [0,1,0,0,0,0|0,1,1]=3 26 B4R0.2 COCCI O28025 [0,1,0,0,0,0|1,0,0]=2 27 B4R0.2 CSCCBr O31085 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.2 CSCCN P36563 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.2 NCCCS A-986 [0,1,0,0,0,0|0,0,0]=1 30 B4R0.2 NCCCS M15465 [0,1,0,0,0,0|0,0,0]=1 31 B4R1.1 C1CNC1 C-3559 [0,0,0,1,0,0|1,0,0]=2 32 B4R1.2 OC1CC1 L13591 [0,0,0,1,0,0|0,1,0]=2 33 B3R0.2 CC(=O)[O-] P38729 [1,1,0,0,0,0|0,1,1]=4 34 B3R0.2 CC(=O)[O-] P40879 [1,1,0,0,0,0|0,1,1]=4 35 B3R0.2 C[PH](C)=O O30537 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.1 C=C(C)CON P51484 [0,2,0,0,0,0|0,1,1]=4 37 B5R0.1 CC(N)CCO P39048 [0,2,0,0,0,0|0,1,0]=3 38 B5R0.1 CC(O)CCN M22972 [0,2,0,0,0,0|0,1,0]=3 39 B5R0.1 CC(O)CON M15150 [0,2,0,0,0,0|0,1,0]=3 40 B5R0.1 CCC[C@H](C)N I-9318 [0,2,0,0,0,0|1,0,0]=3 41 B5R0.1 CNCC(C)O P40721 [0,2,0,0,0,0|0,1,0]=3 42 B5R0.1 CNCC(F)F P41399 [0,2,0,0,0,0|1,0,0]=3 43 B5R0.1 CNC[C@@H](C)O P41738 [0,2,0,0,0,0|0,1,0]=3 44 B5R0.1 CNC[C@H](C)O P36531 [0,2,0,0,0,0|0,1,0]=3 45 B5R0.1 COCC(=N)N O34478 [0,2,0,0,0,0|1,0,1]=4 46 B5R0.1 COCC(C)Br O32164 [0,2,0,0,0,0|0,1,0]=3 47 B5R0.1 C[C@@H](N)CCO F-4752 [0,2,0,0,0,0|0,1,0]=3 48 B5R0.1 C[C@H](N)CC#N Q66038 [0,2,0,0,0,0|1,0,0]=3 49 B5R0.1 C[C@H](N)CCO F-4570 [0,2,0,0,0,0|0,1,0]=3 50 B5R0.1 NNCC(F)F L20780 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.1 O=C(O)CCF A-698 [0,2,0,0,0,0|0,1,1]=4 52 B5R0.1 OCCC(F)F P45589 [0,2,0,0,0,0|0,1,0]=3 53 B5R0.3 C#CC(O)CC P38163 [0,2,0,0,0,0|0,1,0]=3 54 B5R0.3 C=CC(C)ON P51545 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.3 CC(C#N)C#N L19456 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.3 CC(CBr)CBr O34172 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.3 CC(CN)CO O30604 [0,2,0,0,0,0|0,1,0]=3 58 B5R0.3 CCC(C)NN O30637 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.3 CNC(=O)CBr P38653 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.3 CNC(=O)CN P37877 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.3 CNC(=O)CO P37539 [0,2,0,0,0,0|0,1,1]=4 62 B5R0.3 CNC(C)CO M23268 [0,2,0,0,0,0|0,1,0]=3 63 B5R0.3 CN[C@@H](C)CO P38191 [0,2,0,0,0,0|0,1,0]=3 64 B5R0.3 CN[C@H](C)CO P41018 [0,2,0,0,0,0|0,1,0]=3 65 B5R0.3 COC(=N)CCl P36514 [0,2,0,0,0,0|1,0,1]=4 66 B5R0.3 COC(C)CN P36510 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.3 NCC(O)CF M23924 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.3 NC[C@@H](F)CO L22313 [0,2,0,0,0,0|0,1,0]=3 69 B5R0.3 NC[C@@H](O)CCl Q69638 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.3 NC[C@H](F)CO O33576 [0,2,0,0,0,0|0,1,0]=3 71 B5R0.4 CC(C)(C)CBr P36951 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.4 CC(C)(F)CO P45778 [0,2,0,0,0,0|0,1,0]=3 73 B5R0.4 CC(C)(O)CN G-7049 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.4 CC(F)(F)CN M15293 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.4 CC[B-](F)(F)F Q66550 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.4 C[Si](C)(C)CI M23058 [0,2,0,0,0,0|1,1,0]=4 77 B5R0.5 CC(C)S(N)=O O29745 [0,2,0,0,0,0|1,1,0]=4 78 B5R0.5 CC(Cl)C(=N)N L21176 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.5 CC(N)C(C)O P38125 [0,2,0,0,0,0|0,1,0]=3 80 B5R0.5 CC(N)C(F)F H-8439 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(N)C(F)F H-8440 [0,2,0,0,0,0|1,0,0]=3 82 B5R0.5 CC(N)C(N)=O P37963 [0,2,0,0,0,0|0,1,1]=4 83 B5R0.5 CC(O)C(N)=O P39940 [0,2,0,0,0,0|0,1,1]=4 84 B5R0.5 C[C@@H](O)C(=N)N P38252 [0,2,0,0,0,0|1,0,1]=4 85 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,2,0,0,0,0|0,1,1]=4 86 B5R0.5 C[C@H](O)C(=N)N P41718 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.2 BrCC#CCBr O31222 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.2 C#CCCCI P39399 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.2 C#CCCCO P37563 [0,2,0,0,0,0|0,1,0]=3 90 B5R0.2 C#CCCNC L20446 [0,2,0,0,0,0|1,0,0]=3 91 B5R0.2 C#CCNCC P37598 [0,2,0,0,0,0|1,0,0]=3 92 B5R0.2 C#CCOCC O29883 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.2 CCNCCCl L21040 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.2 CNCCSC M23087 [0,2,0,0,0,0|0,0,0]=2 95 B5R0.2 CSCCCN P39434 [0,2,0,0,0,0|0,0,0]=2 96 B5R0.2 NCC#CCN L19650 [0,2,0,0,0,0|1,0,1]=4 97 B5R0.2 NCC#CCO L20035 [0,2,0,0,0,0|0,1,1]=4 98 B5R0.2 NCCCCS L19142 [0,2,0,0,0,0|0,0,0]=2 99 B5R0.2 [N-]=[N+]=NCCN P42423 [0,2,0,0,0,0|2,0,0]=4 100 B5R0.2 [N-]=[N+]=NCCO P41031 [0,2,0,0,0,0|1,1,0]=4 101 B5R1.2 BrC1CNC1 D-2507 [0,1,0,1,0,0|1,0,0]=3 102 B5R1.2 BrC1CNC1 P39525 [0,1,0,1,0,0|1,0,0]=3 103 B5R1.2 BrC1COC1 C-2448 [0,1,0,1,0,0|0,1,0]=3 104 B5R1.2 C=C1CCC1 P49771 [0,1,0,1,0,0|1,0,0]=3 105 B5R1.2 C=C1COC1 Q53034 [0,1,0,1,0,0|0,1,1]=4 106 B5R1.2 CC1CCN1 M22690 [0,1,0,1,0,0|1,0,0]=3 107 B5R1.2 CC1CCN1 P44577 [0,1,0,1,0,0|1,0,0]=3 108 B5R1.2 CC1CCO1 Q53239 [0,1,0,1,0,0|0,1,0]=3 109 B5R1.2 CC1CNC1 C-2879 [0,1,0,1,0,0|1,0,0]=3 110 B5R1.2 C[C@@H]1CCN1 P45172 [0,1,0,1,0,0|1,0,0]=3 111 B5R1.2 C[C@@H]1CCO1 Q53238 [0,1,0,1,0,0|0,1,0]=3 112 B5R1.2 C[C@H]1CCN1 P44797 [0,1,0,1,0,0|1,0,0]=3 113 B5R1.2 C[C@H]1CCO1 Q53237 [0,1,0,1,0,0|0,1,0]=3 114 B5R1.2 ClC1CNC1 G-7722 [0,1,0,1,0,0|1,0,0]=3 115 B5R1.2 ClC1COC1 L21610 [0,1,0,1,0,0|0,1,0]=3 116 B5R1.2 FC1CNC1 A-433 [0,1,0,1,0,0|1,0,0]=3 117 B5R1.2 FC1CNC1 P45315 [0,1,0,1,0,0|1,0,0]=3 118 B5R1.2 IC1CCC1 L21363 [0,1,0,1,0,0|1,0,0]=3 119 B5R1.2 IC1CNC1 F-4497 [0,1,0,1,0,0|1,0,0]=3 120 B5R1.2 IC1COC1 C-2449 [0,1,0,1,0,0|0,1,0]=3 121 B5R1.2 NC1CCC1 P45382 [0,1,0,1,0,0|1,0,0]=3 122 B5R1.2 NC1CNC1 L13523 [0,1,0,1,0,0|1,0,0]=3 123 B5R1.2 NC1COC1 C-2472 [0,1,0,1,0,0|0,1,0]=3 124 B5R1.2 NC1COC1 O31926 [0,1,0,1,0,0|0,1,0]=3 125 B5R1.2 NC1CSC1 G-6637 [0,1,0,1,0,0|0,0,0]=2 126 B5R1.2 NC1CSC1 Q58806 [0,1,0,1,0,0|0,0,0]=2 127 B5R1.2 NC1CSC1 S72763 [0,1,0,1,0,0|0,0,0]=2 128 B5R1.2 O=C1CCN1 P35040 [0,1,0,1,0,0|0,1,1]=4 129 B5R1.2 O=C1CNC1 C-2452 [0,1,0,1,0,0|0,1,1]=4 130 B5R1.2 O=C1COC1 A-880 [0,1,0,1,0,0|0,1,1]=4 131 B5R1.2 O=C1CSC1 A-895 [0,1,0,1,0,0|0,0,1]=3 132 B5R1.2 OC1CNC1 A-407 [0,1,0,1,0,0|0,1,0]=3 133 B5R1.2 OC1CNC1 O28030 [0,1,0,1,0,0|0,1,0]=3 134 B5R1.2 OC1COC1 B-1102 [0,1,0,1,0,0|0,1,0]=3 135 B5R1.2 OC1CSC1 L21497 [0,1,0,1,0,0|0,0,0]=2 136 B5R1.2 SC1CNC1 G-7240 [0,1,0,1,0,0|0,0,0]=2 137 B5R1.2 SC1COC1 G-6845 [0,1,0,1,0,0|0,0,0]=2 138 B5R1.3 CNC1CC1 G-6453 [0,1,0,1,0,0|1,0,0]=3 139 B5R1.3 ClCC1CS1 H-8564 [0,1,0,1,0,0|0,0,0]=2 140 B5R1.3 ICC1CC1 P38738 [0,1,0,1,0,0|1,0,0]=3 141 B5R1.3 NNC1CC1 H-8725 [0,1,0,1,0,0|1,0,0]=3 142 B5R1.3 NNC1CC1 O31496 [0,1,0,1,0,0|1,0,0]=3 143 B5R1.3 SCC1CC1 F-4776 [0,1,0,1,0,0|0,0,0]=2 144 B5R1.4 NC1CC1F O33119 [0,1,0,1,0,0|1,0,0]=3 145 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [0,1,0,1,0,0|1,0,0]=3 146 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [0,1,0,1,0,0|1,0,0]=3 147 B5R1.5 CC1(Br)CC1 L14741 [0,1,0,1,0,0|1,0,0]=3 148 B5R1.5 CC1(N)CC1 F-4521 [0,1,0,1,0,0|1,0,0]=3 149 B5R1.5 CC1(O)CC1 F-4583 [0,1,0,1,0,0|0,1,0]=3 150 B5R1.1 C1CSCO1 P51538 [0,1,0,1,0,0|0,0,0]=2