0 B3R0.2 CC(=O)[O-] P38729 [0,0,0,0,0,0|0,0,1]=1 1 B3R0.2 CC(=O)[O-] P40879 [0,0,0,0,0,0|0,0,1]=1 2 B3R0.2 C[PH](C)=O O30537 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 N=C(N)N 10428 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 Cl[Pt]Cl K12017 [1,0,0,0,0,0|3,0,0]=4 5 B2R0.1 O=[Pt]=O L21549 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 C#CC(C)=O P41295 [0,1,0,0,0,0|1,0,0]=2 7 B4R0.1 C#CC(C)N P51445 [0,1,0,0,0,0|2,0,1]=4 8 B4R0.1 C#CC(N)=O O30795 [0,1,0,0,0,0|1,0,1]=3 9 B4R0.1 C#C[C@@H](C)N Q52993 [0,1,0,0,0,0|2,0,1]=4 10 B4R0.1 C#C[C@H](C)O Q52831 [0,1,0,0,0,0|1,0,1]=3 11 B4R0.1 C=C(C)CN P39039 [0,1,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(=O)CN P45193 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 CC(Br)CO O34000 [0,1,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(C)NO O30196 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(N)CS L19436 [0,1,0,0,0,0|1,1,1]=4 16 B4R0.1 CC(S)CN L19389 [0,1,0,0,0,0|1,1,1]=4 17 B4R0.1 C[C@@H](Cl)CO 10058 [0,1,0,0,0,0|1,0,1]=3 18 B4R0.3 CP(C)(=O)[O-] L20273 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.3 C[B-](F)(F)F K10793 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.3 NS(=O)(=O)Cl P43209 [0,1,0,0,0,0|2,0,1]=4 21 B4R1.2 OC1CC1 L13591 [0,0,0,1,0,0|1,0,1]=3 22 B3R0.1 CCNN H-8579 [1,1,0,0,0,0|1,0,1]=4 23 B3R0.1 CCNN O31940 [1,1,0,0,0,0|1,0,1]=4 24 B3R0.1 N#CCF Q53639 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.1 C=C(C)CON P51484 [0,2,0,0,0,0|1,0,0]=3 26 B5R0.1 CC(N)CCO P39048 [0,2,0,0,0,0|1,0,1]=4 27 B5R0.1 CC(O)CCN M22972 [0,2,0,0,0,0|1,0,1]=4 28 B5R0.1 CC(O)CON M15150 [0,2,0,0,0,0|0,0,2]=4 29 B5R0.1 CNCC(C)O P40721 [0,2,0,0,0,0|1,0,1]=4 30 B5R0.1 CNC[C@@H](C)O P41738 [0,2,0,0,0,0|1,0,1]=4 31 B5R0.1 CNC[C@H](C)O P36531 [0,2,0,0,0,0|1,0,1]=4 32 B5R0.1 COCC(=N)N O34478 [0,2,0,0,0,0|2,0,0]=4 33 B5R0.1 COCC(C)Br O32164 [0,2,0,0,0,0|1,0,1]=4 34 B5R0.1 C[C@@H](N)CCO F-4752 [0,2,0,0,0,0|1,0,1]=4 35 B5R0.1 C[C@H](N)CCO F-4570 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.1 C\C=C\B(O)O M24053 [0,2,0,0,0,0|1,0,1]=4 37 B5R0.1 O=C(O)CCF A-698 [0,2,0,0,0,0|0,0,0]=2 38 B5R0.3 C#CC(=O)NC L19171 [0,2,0,0,0,0|1,0,0]=3 39 B5R0.3 C#CC(O)CC P38163 [0,2,0,0,0,0|1,0,1]=4 40 B5R0.3 C=CC(C)ON P51545 [0,2,0,0,0,0|1,0,1]=4 41 B5R0.3 CC(CN)CO O30604 [0,2,0,0,0,0|1,0,1]=4 42 B5R0.3 CNC(=O)CBr P38653 [0,2,0,0,0,0|1,0,0]=3 43 B5R0.3 CNC(=O)CN P37877 [0,2,0,0,0,0|1,0,0]=3 44 B5R0.3 CNC(=O)CO P37539 [0,2,0,0,0,0|0,0,0]=2 45 B5R0.3 CNC(C)CO M23268 [0,2,0,0,0,0|1,0,1]=4 46 B5R0.3 CN[C@@H](C)CO P38191 [0,2,0,0,0,0|1,0,1]=4 47 B5R0.3 CN[C@H](C)CO P41018 [0,2,0,0,0,0|1,0,1]=4 48 B5R0.3 COC(=N)CCl P36514 [0,2,0,0,0,0|1,0,0]=3 49 B5R0.3 COC(C)CN P36510 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.3 NCC(O)CF M23924 [0,2,0,0,0,0|1,0,1]=4 51 B5R0.3 NC[C@@H](F)CO L22313 [0,2,0,0,0,0|1,0,1]=4 52 B5R0.3 NC[C@@H](O)CCl Q69638 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.3 NC[C@H](F)CO O33576 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.4 CC(C)(F)CO P45778 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.4 CC(C)(O)CN G-7049 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.4 CNS(N)(=O)=O O32727 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.4 O=S(=O)([O-])CCl L19500 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.5 C=C(C)B(O)O P51397 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.5 C=C(F)C(=O)O P51526 [0,2,0,0,0,0|0,0,1]=3 60 B5R0.5 CC(C)S(N)=O O29745 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.5 CC(Cl)C(=N)N L21176 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(N)C(C)O P38125 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.5 CC(N)C(N)=O P37963 [0,2,0,0,0,0|1,0,0]=3 64 B5R0.5 CC(O)C(N)=O P39940 [0,2,0,0,0,0|0,0,1]=3 65 B5R0.5 C[C@@H](O)C(=N)N P38252 [0,2,0,0,0,0|1,0,1]=4 66 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,2,0,0,0,0|0,0,1]=3 67 B5R0.5 C[C@H](O)C(=N)N P41718 [0,2,0,0,0,0|1,0,1]=4 68 B5R1.2 BrC1COC1 C-2448 [0,1,0,1,0,0|1,0,1]=4 69 B5R1.2 C=C1CCC1 P49771 [0,1,0,1,0,0|2,0,0]=4 70 B5R1.2 C=C1COC1 Q53034 [0,1,0,1,0,0|1,0,0]=3 71 B5R1.2 CC1CCO1 Q53239 [0,1,0,1,0,0|1,0,1]=4 72 B5R1.2 C[C@@H]1CCO1 Q53238 [0,1,0,1,0,0|1,0,1]=4 73 B5R1.2 C[C@H]1CCO1 Q53237 [0,1,0,1,0,0|1,0,1]=4 74 B5R1.2 ClC1COC1 L21610 [0,1,0,1,0,0|1,0,1]=4 75 B5R1.2 IC1COC1 C-2449 [0,1,0,1,0,0|1,0,1]=4 76 B5R1.2 NC1COC1 C-2472 [0,1,0,1,0,0|1,0,1]=4 77 B5R1.2 NC1COC1 O31926 [0,1,0,1,0,0|1,0,1]=4 78 B5R1.2 O=C1CCN1 P35040 [0,1,0,1,0,0|1,0,0]=3 79 B5R1.2 O=C1CNC1 C-2452 [0,1,0,1,0,0|1,0,0]=3 80 B5R1.2 O=C1COC1 A-880 [0,1,0,1,0,0|0,0,0]=2 81 B5R1.2 O=C1CSC1 A-895 [0,1,0,1,0,0|0,1,0]=3 82 B5R1.2 OC1CNC1 A-407 [0,1,0,1,0,0|1,0,1]=4 83 B5R1.2 OC1CNC1 O28030 [0,1,0,1,0,0|1,0,1]=4 84 B5R1.2 OC1COC1 B-1102 [0,1,0,1,0,0|0,0,2]=4 85 B5R1.2 OC1CSC1 L21497 [0,1,0,1,0,0|0,1,1]=4 86 B5R1.2 SC1COC1 G-6845 [0,1,0,1,0,0|0,1,1]=4 87 B5R1.5 CC1(O)CC1 F-4583 [0,1,0,1,0,0|1,0,1]=4