0 B2R0.1 CC=O HMDB0000990 [0,0,0,0,0,0|3,0,0]=3 1 B2R0.1 CCN HMDB0013231 [0,0,0,0,0,0|3,0,0]=3 2 B2R0.1 CCO HMDB0000108 [0,0,0,0,0,0|3,0,0]=3 3 B2R0.1 CNC HMDB0000087 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 CSC HMDB0002303 [0,0,0,0,0,0|3,0,0]=3 5 B2R0.1 N#C[S-] HMDB0001453 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 O=C=O HMDB0001967 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 O=CO HMDB0000142 [0,0,0,0,0,0|3,0,0]=3 8 B2R0.1 O=NO HMDB0002786 [0,0,0,0,0,0|3,0,0]=3 9 B1R0.1 C#[N-] HMDB0002084 [1,0,0,0,0,0|2,0,0]=3 10 B1R0.1 C=O HMDB0001426 [1,0,0,0,0,0|2,0,0]=3 11 B1R0.1 CN HMDB0000164 [1,0,0,0,0,0|2,0,0]=3 12 B1R0.1 CO HMDB0001875 [1,0,0,0,0,0|2,0,0]=3 13 B1R0.1 CS HMDB0003227 [1,0,0,0,0,0|2,0,0]=3 14 B1R0.1 Cl[Tl] HMDB0013724 [1,0,0,0,0,0|1,0,0]=2 15 B1R0.1 II HMDB0000675 [1,0,0,0,0,0|0,2,0]=3 16 B1R0.1 N#N HMDB0001371 [1,0,0,0,0,0|2,0,0]=3 17 B1R0.1 NN HMDB0012973 [1,0,0,0,0,0|2,0,0]=3 18 B1R0.1 NO HMDB0003338 [1,0,0,0,0,0|2,0,0]=3 19 B1R0.1 O=[Mg] HMDB0015458 [1,0,0,0,0,0|2,0,0]=3 20 B1R0.1 S=[Se] HMDB0015106 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 C(=O)CCl HMDB0013860 [0,1,0,0,0,0|2,0,0]=3 22 B3R0.1 C=CC=O HMDB0041822 [0,1,0,0,0,0|3,0,0]=4 23 B3R0.1 CSSC HMDB0005879 [0,1,0,0,0,0|3,0,0]=4 24 B3R0.1 NCCN HMDB0031225 [0,1,0,0,0,0|3,0,0]=4 25 B3R0.1 NCCO HMDB0000149 [0,1,0,0,0,0|3,0,0]=4 26 B3R0.1 NCCS HMDB0002991 [0,1,0,0,0,0|3,0,0]=4 27 B3R0.2 CC(=O)O HMDB0000042 [0,1,0,0,0,0|3,0,0]=4 28 B3R0.2 CC(C)=O HMDB0001659 [0,1,0,0,0,0|3,0,0]=4 29 B3R0.2 CC(C)O HMDB0000863 [0,1,0,0,0,0|3,0,0]=4 30 B3R0.2 CN(C)C HMDB0000906 [0,1,0,0,0,0|3,0,0]=4 31 B3R0.2 N=C(N)N HMDB0001842 [0,1,0,0,0,0|3,0,0]=4 32 B3R0.2 NC(N)=O HMDB0000294 [0,1,0,0,0,0|3,0,0]=4 33 B3R0.2 O=C(O)O HMDB0000595 [0,1,0,0,0,0|3,0,0]=4 34 B3R0.2 O=S(O)O HMDB0000240 [0,1,0,0,0,0|3,0,0]=4 35 B3R0.2 O=[N+]([O-])[O-] HMDB0002878 [0,1,0,0,0,0|3,0,0]=4 36 B0R0.1 C HMDB0002714 [2,0,0,0,0,0|0,0,0]=2 37 B0R0.1 N HMDB0000051 [2,0,0,0,0,0|0,0,0]=2 38 B0R0.1 P HMDB0001315 [2,0,0,0,0,0|0,0,0]=2 39 B0R0.1 [Al] HMDB0001247 [2,0,0,0,0,0|0,0,0]=2 40 B0R0.1 [AsH6+3] HMDB0002290 [2,0,0,0,0,0|0,0,0]=2 41 B0R0.1 [Au+] HMDB0004138 [2,0,0,0,0,0|0,0,0]=2 42 B0R0.1 [B+3] HMDB0002386 [2,0,0,0,0,0|0,0,0]=2 43 B0R0.1 [Ba+2] HMDB0004142 [2,0,0,0,0,0|0,0,0]=2 44 B0R0.1 [Br-] HMDB0002500 [2,0,0,0,0,0|0,0,0]=2 45 B0R0.1 [Ca+2] HMDB0000464 [2,0,0,0,0,0|0,0,0]=2 46 B0R0.1 [Cd+2] HMDB0003638 [2,0,0,0,0,0|0,0,0]=2 47 B0R0.1 [Ce] HMDB0013672 [2,0,0,0,0,0|0,0,0]=2 48 B0R0.1 [Cl-] HMDB0000492 [2,0,0,0,0,0|0,0,0]=2 49 B0R0.1 [Co+2] HMDB0000608 [2,0,0,0,0,0|0,0,0]=2 50 B0R0.1 [Cr+3] HMDB0000599 [2,0,0,0,0,0|0,0,0]=2 51 B0R0.1 [Cs] HMDB0013669 [2,0,0,0,0,0|0,0,0]=2 52 B0R0.1 [Cu+2] HMDB0000657 [2,0,0,0,0,0|0,0,0]=2 53 B0R0.1 [F-] HMDB0000662 [2,0,0,0,0,0|0,0,0]=2 54 B0R0.1 [Fe+2] HMDB0000692 [2,0,0,0,0,0|0,0,0]=2 55 B0R0.1 [Fe+2] HMDB0015531 [2,0,0,0,0,0|0,0,0]=2 56 B0R0.1 [GaH3] HMDB0001478 [2,0,0,0,0,0|0,0,0]=2 57 B0R0.1 [GeH8+4] HMDB0002501 [2,0,0,0,0,0|0,0,0]=2 58 B0R0.1 [Hf] HMDB0029201 [2,0,0,0,0,0|0,0,0]=2 59 B0R0.1 [Hg+2] HMDB0003625 [2,0,0,0,0,0|0,0,0]=2 60 B0R0.1 [I-] HMDB0012238 [2,0,0,0,0,0|0,0,0]=2 61 B0R0.1 [K+] HMDB0000586 [2,0,0,0,0,0|0,0,0]=2 62 B0R0.1 [La] HMDB0013711 [2,0,0,0,0,0|0,0,0]=2 63 B0R0.1 [Li+] HMDB0005949 [2,0,0,0,0,0|0,0,0]=2 64 B0R0.1 [Mg+2] HMDB0000547 [2,0,0,0,0,0|0,0,0]=2 65 B0R0.1 [Mn+2] HMDB0001333 [2,0,0,0,0,0|0,0,0]=2 66 B0R0.1 [Mo+2] HMDB0001302 [2,0,0,0,0,0|0,0,0]=2 67 B0R0.1 [Na+] HMDB0000588 [2,0,0,0,0,0|0,0,0]=2 68 B0R0.1 [Nd] HMDB0013715 [2,0,0,0,0,0|0,0,0]=2 69 B0R0.1 [Ni+2] HMDB0002457 [2,0,0,0,0,0|0,0,0]=2 70 B0R0.1 [PbH6+2] HMDB0004628 [2,0,0,0,0,0|0,0,0]=2 71 B0R0.1 [Pd] HMDB0013670 [2,0,0,0,0,0|0,0,0]=2 72 B0R0.1 [Pt] HMDB0013671 [2,0,0,0,0,0|0,0,0]=2 73 B0R0.1 [Rb+] HMDB0001327 [2,0,0,0,0,0|0,0,0]=2 74 B0R0.1 [Re] HMDB0013719 [2,0,0,0,0,0|0,0,0]=2 75 B0R0.1 [Ru] HMDB0013668 [2,0,0,0,0,0|0,0,0]=2 76 B0R0.1 [SbH6+3] HMDB0004118 [2,0,0,0,0,0|0,0,0]=2 77 B0R0.1 [SeH4+2] HMDB0001349 [2,0,0,0,0,0|0,0,0]=2 78 B0R0.1 [SnH4+4] HMDB0001960 [2,0,0,0,0,0|0,0,0]=2 79 B0R0.1 [Sr+2] HMDB0003642 [2,0,0,0,0,0|0,0,0]=2 80 B0R0.1 [Ta+5] HMDB0004143 [2,0,0,0,0,0|0,0,0]=2 81 B0R0.1 [TeH6+4] HMDB0001854 [2,0,0,0,0,0|0,0,0]=2 82 B0R0.1 [Th] HMDB0029215 [2,0,0,0,0,0|0,0,0]=2 83 B0R0.1 [Ti+4] HMDB0001966 [2,0,0,0,0,0|0,0,0]=2 84 B0R0.1 [V+3] HMDB0002503 [2,0,0,0,0,0|0,0,0]=2 85 B0R0.1 [W+4] HMDB0001989 [2,0,0,0,0,0|0,0,0]=2 86 B0R0.1 [Zn+2] HMDB0015532 [2,0,0,0,0,0|0,0,0]=2 87 B0R0.1 [Zr+4] HMDB0001475 [2,0,0,0,0,0|0,0,0]=2 88 B4R0.3 N[Pt](N)(Cl)Cl HMDB0014656 [0,2,0,0,0,0|0,1,0]=3