0 B3R0.2 CC(C)S HMDB0031634 [0,0,0,0,0,0|1,1,1]=3 1 B3R0.2 CC(N)=O HMDB0031645 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CC(S)=O HMDB0031188 [0,0,0,0,0,0|0,1,0]=1 3 B3R0.2 CC(S)S HMDB0032253 [0,0,0,0,0,0|0,2,1]=3 4 B3R0.2 CN(C)C HMDB0000906 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 ClC(Cl)=C HMDB0032554 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 ClC(Cl)Cl HMDB0029596 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.2 ClN(Cl)Cl HMDB0034827 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 NC(N)=S HMDB0034155 [0,0,0,0,0,0|2,1,0]=3 9 B3R0.2 OB(O)O HMDB0035731 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.2 OS(O)=O HMDB0034829 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 [O-]C([O-])=O HMDB0031453 [0,0,0,0,0,0|1,0,1]=2 12 B2R0.1 CCC HMDB0031630 [1,0,0,0,0,0|1,0,1]=3 13 B2R0.1 CCO HMDB0000108 [1,0,0,0,0,0|0,0,1]=2 14 B2R0.1 C[Se]C HMDB0033212 [1,0,0,0,0,0|2,0,0]=3 15 B2R0.1 ClCCl HMDB0031548 [1,0,0,0,0,0|2,0,1]=4 16 B2R0.1 ClN=O HMDB0034825 [1,0,0,0,0,0|2,0,0]=3 17 B2R0.1 O=S=O HMDB0034834 [1,0,0,0,0,0|1,0,1]=3 18 B2R0.1 O=[Cl]=O HMDB0034826 [1,0,0,0,0,0|1,0,1]=3 19 B2R0.1 O=[Si]=O HMDB0035659 [1,0,0,0,0,0|0,1,1]=3 20 B2R0.1 OB=O HMDB0034769 [1,0,0,0,0,0|1,0,0]=2 21 B2R0.1 S=C=S HMDB0036574 [1,0,0,0,0,0|0,2,1]=4 22 B2R0.1 SCS HMDB0040184 [1,0,0,0,0,0|0,2,1]=4 23 B2R0.1 [O-][N+]#N HMDB0035807 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(=C)C=C HMDB0032344 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(=O)CS HMDB0030025 [0,1,0,0,0,0|0,1,0]=2 26 B4R0.1 CC(=O)OO HMDB0031608 [0,1,0,0,0,0|0,0,0]=1 27 B4R0.1 CC(C)C=O HMDB0031243 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(C)CN HMDB0034198 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(C)CS HMDB0031245 [0,1,0,0,0,0|1,1,1]=4 30 B4R0.1 CC(Cl)CO HMDB0031335 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.1 CC(O)CO HMDB0001881 [0,1,0,0,0,0|0,0,2]=3 32 B4R0.1 CC(S)CS HMDB0031631 [0,1,0,0,0,0|0,2,1]=4 33 B4R0.1 CCC(C)N HMDB0032179 [0,1,0,0,0,0|2,0,1]=4 34 B4R0.1 CCC(O)=O HMDB0000237 [0,1,0,0,0,0|0,0,0]=1 35 B4R0.1 CN(C)N=O HMDB0031419 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 CNC(S)=S HMDB0039221 [0,1,0,0,0,0|0,2,0]=3 37 B4R0.1 COC(C)=O HMDB0031523 [0,1,0,0,0,0|0,0,0]=1 38 B4R0.1 CSC(C)=O HMDB0031189 [0,1,0,0,0,0|0,1,0]=2 39 B4R0.1 CSC(C)C HMDB0040576 [0,1,0,0,0,0|1,1,1]=4 40 B4R0.1 CSS(C)=O HMDB0032739 [0,1,0,0,0,0|1,1,0]=3 41 B4R0.1 ClC=C(Cl)Cl HMDB0029593 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 NC(=O)C=C HMDB0032161 [0,1,0,0,0,0|1,0,1]=3 43 B4R0.1 OC(=O)C=C HMDB0031647 [0,1,0,0,0,0|0,0,1]=2 44 B4R0.1 OC(=O)CCl HMDB0031331 [0,1,0,0,0,0|0,0,0]=1 45 B4R0.3 CC(C)(C)O HMDB0031456 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.3 ClP(Cl)(Cl)=O HMDB0034789 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.3 NS(O)(=O)=O HMDB0034830 [0,1,0,0,0,0|2,0,0]=3 48 B4R0.3 O[Si](O)(O)O HMDB0031436 [0,1,0,0,0,0|1,1,1]=4 49 B4R1.2 CC1CO1 HMDB0031558 [0,0,0,1,0,0|1,0,1]=3 50 B4R1.2 CC1CO1 HMDB0032263 [0,0,0,1,0,0|1,0,1]=3 51 B1R0.1 BrBr HMDB0031434 [2,0,0,0,0,0|2,0,0]=4 52 B1R0.1 C=C HMDB0029594 [2,0,0,0,0,0|0,0,1]=3 53 B1R0.1 CBr HMDB0031524 [2,0,0,0,0,0|1,0,0]=3 54 B1R0.1 II HMDB0000675 [2,0,0,0,0,0|2,0,0]=4 55 B1R0.1 [NH3+][O-] HMDB0032439 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.1 C/C=C/S HMDB0040345 [1,1,0,0,0,0|0,1,0]=3 57 B3R0.1 CCCN HMDB0034006 [1,1,0,0,0,0|1,0,1]=4 58 B3R0.1 CCCS HMDB0034238 [1,1,0,0,0,0|0,1,1]=4 59 B3R0.1 CCSC HMDB0031238 [1,1,0,0,0,0|0,1,1]=4 60 B3R0.1 CN=C=S HMDB0034106 [1,1,0,0,0,0|0,1,1]=4 61 B3R0.1 COCCl HMDB0031332 [1,1,0,0,0,0|1,0,1]=4 62 B3R0.1 COOC HMDB0031430 [1,1,0,0,0,0|1,0,0]=3 63 B3R0.1 CSCS HMDB0032428 [1,1,0,0,0,0|0,1,1]=4 64 B3R0.1 CS[Se]C HMDB0030879 [1,1,0,0,0,0|1,1,0]=4 65 B3R0.1 C[Se][Se]C HMDB0033208 [1,1,0,0,0,0|1,1,0]=4 66 B3R0.1 ClCCCl HMDB0029571 [1,1,0,0,0,0|1,0,1]=4 67 B3R0.1 NCCN HMDB0031225 [1,1,0,0,0,0|1,0,1]=4 68 B3R0.1 OCC=C HMDB0031652 [1,1,0,0,0,0|0,0,1]=3 69 B3R0.1 OCCO HMDB0032262 [1,1,0,0,0,0|0,0,1]=3 70 B3R0.1 SCC=C HMDB0031635 [1,1,0,0,0,0|1,0,0]=3 71 B3R0.1 SCCS HMDB0031707 [1,1,0,0,0,0|0,1,1]=4 72 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,2,0,0,0,0|0,0,0]=2 73 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,2,0,0,0,0|0,0,0]=2 74 B5R0.1 CC(=C)CCO HMDB0030126 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.1 CC(=O)CC=C HMDB0031606 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.1 CC(=O)CCS HMDB0041015 [0,2,0,0,0,0|0,1,0]=3 77 B5R0.1 CC(=O)OC=C HMDB0031209 [0,2,0,0,0,0|0,0,0]=2 78 B5R0.1 CC(C)=CC=O HMDB0012157 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.1 CC(C)=CCO HMDB0030124 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.1 CC(C)=CCS HMDB0031529 [0,2,0,0,0,0|1,1,0]=4 81 B5R0.1 CC(C)CC=O HMDB0006478 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.1 CC(C)OC=O HMDB0040579 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(O)CCO HMDB0031320 [0,2,0,0,0,0|0,0,2]=4 84 B5R0.1 CC(O)CCS HMDB0041475 [0,2,0,0,0,0|0,1,1]=4 85 B5R0.1 CCCC(C)=O HMDB0034235 [0,2,0,0,0,0|1,0,0]=3 86 B5R0.1 CCCC(C)O HMDB0031599 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.1 CCCC(N)=O HMDB0033870 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.1 CCCC(O)=O HMDB0000039 [0,2,0,0,0,0|0,0,0]=2 89 B5R0.1 CCNC(C)=O HMDB0031215 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.1 CCOC(C)=O HMDB0031217 [0,2,0,0,0,0|0,0,0]=2 91 B5R0.1 CCOC(N)=O HMDB0031219 [0,2,0,0,0,0|1,0,0]=3 92 B5R0.1 CCOC(O)=O HMDB0031232 [0,2,0,0,0,0|0,0,0]=2 93 B5R0.1 CCSC(C)=O HMDB0031190 [0,2,0,0,0,0|0,1,0]=3 94 B5R0.1 CN(C)CCO HMDB0032231 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 CSCC(C)=O HMDB0040170 [0,2,0,0,0,0|0,1,0]=3 96 B5R0.1 OC(=O)CCI HMDB0031252 [0,2,0,0,0,0|0,0,0]=2 97 B5R0.1 OC(=O)CCS HMDB0041604 [0,2,0,0,0,0|0,0,0]=2 98 B5R0.3 BrCC(=O)CI HMDB0040190 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.3 C/C=C(\C)CO HMDB0034465 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.3 CC/C(C)=C/S HMDB0040347 [0,2,0,0,0,0|1,1,0]=4 102 B5R0.3 CCC(=O)C=C HMDB0031607 [0,2,0,0,0,0|1,0,0]=3 103 B5R0.3 CCC(=O)CO HMDB0031507 [0,2,0,0,0,0|0,0,0]=2 104 B5R0.3 CCC(=O)OC HMDB0030062 [0,2,0,0,0,0|0,0,0]=2 105 B5R0.3 CCC(=O)SC HMDB0031192 [0,2,0,0,0,0|0,1,0]=3 106 B5R0.3 CCC(C)C=O HMDB0031526 [0,2,0,0,0,0|1,0,1]=4 107 B5R0.3 CCC(C)CO HMDB0031527 [0,2,0,0,0,0|1,0,1]=4 108 B5R0.3 CCC(O)C=C HMDB0031605 [0,2,0,0,0,0|1,0,1]=4 109 B5R0.3 CC[C@H](C)C=O HMDB0031525 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.3 COC(=O)C=C HMDB0033977 [0,2,0,0,0,0|0,0,1]=3 111 B5R0.3 COC(=O)OC HMDB0029580 [0,2,0,0,0,0|0,0,0]=2 112 B5R0.3 COC(C)OC HMDB0030061 [0,2,0,0,0,0|0,0,2]=4 113 B5R0.3 OC(C=O)C=O HMDB0040261 [0,2,0,0,0,0|0,0,2]=4 114 B5R0.3 OCC(O)CCl HMDB0031334 [0,2,0,0,0,0|0,0,2]=4 115 B5R0.4 CC(C)(O)C=C HMDB0033854 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.4 CCC(C)(C)O HMDB0033772 [0,2,0,0,0,0|1,0,1]=4 117 B5R0.4 CSS(C)(=O)=O HMDB0031832 [0,2,0,0,0,0|1,0,1]=4 118 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,2,0,0,0,0|1,0,0]=3 119 B5R0.5 CC(=O)C(Br)Br HMDB0040188 [0,2,0,0,0,0|1,0,0]=3 120 B5R0.5 CC(C)C(C)O HMDB0033777 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.5 CC(O)C(C)=C HMDB0039779 [0,2,0,0,0,0|1,0,0]=3 122 B5R0.5 CC(O)C(C)S HMDB0040185 [0,2,0,0,0,0|0,1,1]=4 123 B5R0.5 CC(S)C(C)=O HMDB0031982 [0,2,0,0,0,0|0,1,0]=3 124 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,2,0,0,0,0|0,0,0]=2 125 B5R0.5 C[C@@H](O)[C@@H](C)O HMDB0033007 [0,2,0,0,0,0|0,0,2]=4 126 B3R1.1 O1OO1 HMDB0035409 [1,0,0,1,0,0|1,0,1]=4 127 B5R1.3 ClCC1CO1 HMDB0034232 [0,1,0,1,0,0|1,0,1]=4 128 B5R1.5 CC1(C)CO1 HMDB0034431 [0,1,0,1,0,0|1,0,1]=4