0 B3R0.2 CC(=O)[O-] P38729 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 CC(=O)[O-] P40879 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.2 C[PH](C)=O O30537 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 N=C(N)N 10428 [0,0,0,0,0,0|1,0,0]=1 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|2,0,1]=4 6 B4R0.1 C#CC(C)=O P41295 [0,1,0,0,0,0|2,0,1]=4 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|2,0,1]=4 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|1,0,1]=3 13 B4R0.1 CC(Br)CO O34000 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(C)NO O30196 [0,1,0,0,0,0|2,0,1]=4 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|2,0,1]=4 18 B4R0.3 NS(=O)(=O)Cl P43209 [0,1,0,0,0,0|2,0,1]=4 19 B4R1.2 OC1CC1 L13591 [0,0,0,1,0,0|2,0,1]=4 20 B3R0.1 CCNN H-8579 [1,1,0,0,0,0|1,0,1]=4 21 B3R0.1 CCNN O31940 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.1 C=C(C)CON P51484 [0,2,0,0,0,0|2,0,0]=4 23 B5R0.1 CC(N)CCO P39048 [0,2,0,0,0,0|1,0,1]=4 24 B5R0.1 CC(O)CCN M22972 [0,2,0,0,0,0|1,0,1]=4 25 B5R0.1 CC(O)CON M15150 [0,2,0,0,0,0|1,0,1]=4 26 B5R0.1 CNCC(C)O P40721 [0,2,0,0,0,0|1,0,1]=4 27 B5R0.1 CNC[C@@H](C)O P41738 [0,2,0,0,0,0|1,0,1]=4 28 B5R0.1 CNC[C@H](C)O P36531 [0,2,0,0,0,0|1,0,1]=4 29 B5R0.1 COCC(=N)N O34478 [0,2,0,0,0,0|0,0,0]=2 30 B5R0.1 C[C@@H](N)CCO F-4752 [0,2,0,0,0,0|1,0,1]=4 31 B5R0.1 C[C@H](N)CCO F-4570 [0,2,0,0,0,0|1,0,1]=4 32 B5R0.1 O=C(O)CCF A-698 [0,2,0,0,0,0|2,0,0]=4 33 B5R0.3 C#CC(=O)NC L19171 [0,2,0,0,0,0|1,0,1]=4 34 B5R0.3 CC(CN)CO O30604 [0,2,0,0,0,0|1,0,1]=4 35 B5R0.3 CNC(=O)CBr P38653 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.3 CNC(=O)CN P37877 [0,2,0,0,0,0|0,0,2]=4 37 B5R0.3 CNC(=O)CO P37539 [0,2,0,0,0,0|1,0,0]=3 38 B5R0.3 CNC(C)CO M23268 [0,2,0,0,0,0|1,0,1]=4 39 B5R0.3 CN[C@@H](C)CO P38191 [0,2,0,0,0,0|1,0,1]=4 40 B5R0.3 CN[C@H](C)CO P41018 [0,2,0,0,0,0|1,0,1]=4 41 B5R0.3 COC(=N)CCl P36514 [0,2,0,0,0,0|1,0,0]=3 42 B5R0.3 COC(C)CN P36510 [0,2,0,0,0,0|1,0,1]=4 43 B5R0.3 NCC(O)CF M23924 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.3 NC[C@@H](F)CO L22313 [0,2,0,0,0,0|1,0,1]=4 45 B5R0.3 NC[C@@H](O)CCl Q69638 [0,2,0,0,0,0|1,0,1]=4 46 B5R0.3 NC[C@H](F)CO O33576 [0,2,0,0,0,0|1,0,1]=4 47 B5R0.4 CC(C)(O)CN G-7049 [0,2,0,0,0,0|1,0,1]=4 48 B5R0.5 C=C(C)B(O)O P51397 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.5 C=C(F)C(=O)O P51526 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.5 CC(Cl)C(=N)N L21176 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.5 CC(N)C(C)O P38125 [0,2,0,0,0,0|1,0,1]=4 52 B5R0.5 CC(N)C(N)=O P37963 [0,2,0,0,0,0|0,0,2]=4 53 B5R0.5 CC(O)C(N)=O P39940 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.5 C[C@@H](O)C(=N)N P38252 [0,2,0,0,0,0|0,0,0]=2 55 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,2,0,0,0,0|1,0,0]=3 56 B5R0.5 C[C@H](O)C(=N)N P41718 [0,2,0,0,0,0|0,0,0]=2 57 B5R1.2 C=C1COC1 Q53034 [0,1,0,1,0,0|2,0,0]=4 58 B5R1.2 NC1COC1 C-2472 [0,1,0,1,0,0|1,0,1]=4 59 B5R1.2 NC1COC1 O31926 [0,1,0,1,0,0|1,0,1]=4 60 B5R1.2 O=C1CCN1 P35040 [0,1,0,1,0,0|1,0,1]=4 61 B5R1.2 O=C1CNC1 C-2452 [0,1,0,1,0,0|1,0,1]=4 62 B5R1.2 O=C1COC1 A-880 [0,1,0,1,0,0|2,0,0]=4 63 B5R1.2 OC1CNC1 A-407 [0,1,0,1,0,0|1,0,1]=4 64 B5R1.2 OC1CNC1 O28030 [0,1,0,1,0,0|1,0,1]=4