0 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 CC1OCCCS1 HMDB0039826 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 CC1SCCSS1 HMDB0037290 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,0,0,0|0,0,0]=0 4 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,0,0,0|0,0,0]=1 5 B6R1.1 C1CCNCC1 HMDB0034301 [1,0,0,0,0,0|1,0,0]=2 6 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,0,0,0|2,0,0]=3 7 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,0,0,0|2,0,0]=3 9 B6R1.1 C1CSSSC1 HMDB0040452 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.1 C1SCSCS1 HMDB0036573 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,0,0,0|1,0,1]=3 13 B8R1.3 OC1CSC(O)CS1 HMDB0033670 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [0,1,0,0,0,0|1,0,2]=4 15 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,0,0,0|1,0,1]=3 19 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 CCC(=O)CSC HMDB0037193 [0,0,1,0,0,0|2,0,1]=4 21 B6R0.1 CCC(C)CCO HMDB0033676 [0,0,1,0,0,0|2,0,0]=3 22 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,1,0,0,0|2,0,1]=4 23 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,1,0,0,0|2,0,1]=4 24 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,1,0,0,0|2,0,1]=4 25 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,1,0,0,0|1,0,2]=4 26 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,1,0,0,0|1,0,0]=2 27 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,1,0,0,0|2,0,1]=4 28 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.4 CCCCC(O)=O HMDB0000892 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.4 CCCOC(C)=O HMDB0034237 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.4 CCCSC(C)=O HMDB0033856 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.4 CCSSC(C)C HMDB0033054 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.4 CSCCC(C)=O HMDB0031316 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.4 CSCCC(C)O HMDB0041476 [0,0,1,0,0,0|2,0,0]=3 35 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,1,0,0,0|1,0,2]=4 36 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,1,0,0,0|1,0,2]=4 37 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,1,0,0,0|1,0,2]=4 38 B6R0.6 CCCCCCC HMDB0031447 [0,0,1,0,0,0|1,0,0]=2 39 B6R0.6 CCCCCCN HMDB0032323 [0,0,1,0,0,0|0,0,0]=1 40 B6R0.6 CCCCCCO HMDB0012971 [0,0,1,0,0,0|1,0,0]=2 41 B6R0.6 CCCCCCS HMDB0039806 [0,0,1,0,0,0|1,0,0]=2 42 B6R0.6 CCCCCSS HMDB0031160 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.6 CCCCN=C=S HMDB0031328 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.6 CCCCOC=O HMDB0040575 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.6 CCCCON=O HMDB0031329 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.6 CCCSCCC HMDB0031431 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.6 CCCSSCC HMDB0033053 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.6 CSCCCC=O HMDB0037474 [0,0,1,0,0,0|2,0,1]=4 49 B6R0.6 CSCCCCO HMDB0041562 [0,0,1,0,0,0|2,0,0]=3 50 B6R0.6 NCCNCCN HMDB0031413 [0,0,1,0,0,0|2,0,0]=3 51 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,0,1,0|1,0,2]=4 52 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,0,1,0|1,0,0]=2 53 B6R1.2 CC1NCCS1 HMDB0031682 [0,0,0,0,1,0|3,0,0]=4 54 B6R1.2 CC1SCCS1 HMDB0036179 [0,0,0,0,1,0|3,0,0]=4 55 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,0,1,0|1,0,1]=3 56 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,0,1,0|2,0,1]=4 57 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,0,1,0|2,0,1]=4 58 B6R1.2 SC1CCCC1 HMDB0039771 [0,0,0,0,1,0|1,0,0]=2 59 B6R1.2 SC1CCCS1 HMDB0040250 [0,0,0,0,1,0|2,0,0]=3 60 B5R0.1 CC(C)CCN HMDB0031659 [1,0,1,0,0,0|2,0,0]=4 61 B5R0.1 CC(C)CCS HMDB0033902 [1,0,1,0,0,0|2,0,0]=4 62 B5R0.1 CC(O)CCO HMDB0031320 [1,0,1,0,0,0|2,0,0]=4 63 B5R0.1 CC(O)CCS HMDB0041475 [1,0,1,0,0,0|2,0,0]=4 64 B5R0.1 CC(S)CCS HMDB0033552 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,1,0,0,0|1,0,1]=4 66 B5R0.1 CCCC(C)O HMDB0031599 [1,0,1,0,0,0|1,0,0]=3 67 B5R0.1 CCCC(C)S HMDB0041010 [1,0,1,0,0,0|1,0,0]=3 68 B5R0.1 CCCC(N)=O HMDB0033870 [1,0,1,0,0,0|1,0,1]=4 69 B5R0.2 CCCCC#N HMDB0040173 [1,0,1,0,0,0|0,0,2]=4 70 B5R0.2 CCCCC=O HMDB0031206 [1,0,1,0,0,0|1,0,1]=4 71 B5R0.2 CCCCCC HMDB0029600 [1,0,1,0,0,0|0,0,0]=2 72 B5R0.2 CCCCCS HMDB0032457 [1,0,1,0,0,0|1,0,0]=3 73 B5R0.2 CCCSSC HMDB0031872 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.2 CCOCCO HMDB0031213 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.2 CCSSCC HMDB0029572 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.2 CSCCCO HMDB0031716 [1,0,1,0,0,0|2,0,0]=4 77 B5R0.2 CSCCSC HMDB0031708 [1,0,1,0,0,0|2,0,0]=4 78 B5R0.3 CCC(C)CN HMDB0032392 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.3 CCC(C)CO HMDB0031527 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.3 CCC(C)CS HMDB0035418 [1,0,1,0,0,0|2,0,0]=4 81 B5R0.3 CCC(S)CS HMDB0041492 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,1,0,0,0|1,0,1]=4 83 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,1,0,0,0|1,0,0]=3 84 B7R0.3 CCCCC(O)CC HMDB0031481 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,1,0,0,0|1,0,1]=4 86 B7R0.3 CCCSC(S)CC HMDB0040056 [0,1,1,0,0,0|1,0,0]=3 87 B7R0.5 CCCC(C)C(C)C HMDB0037617 [0,1,1,0,0,0|1,0,0]=3 88 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,1,0,0,0|1,0,1]=4 89 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,1,0,0,0|1,0,1]=4 90 B7R0.7 CCCC(S)CCO HMDB0040152 [0,1,1,0,0,0|1,0,0]=3 91 B7R0.7 CCOC(C)OCC HMDB0031644 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,1,0,0,0|2,0,0]=4 93 B7R0.10 CCC(S)C(C)CO HMDB0034878 [0,1,1,0,0,0|2,0,0]=4 94 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,1,1,0,0,0|1,0,0]=3 95 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,1,1,0,0,0|2,0,0]=4 96 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,1,0,0,0|1,0,0]=3 97 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,1,0,0,0|1,0,1]=4 98 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,1,0,0,0|1,0,0]=3 99 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,1,0,0,0|1,0,0]=3 100 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,1,0,0,0|1,0,1]=4 101 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,1,0,0,0|1,0,1]=4 102 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,1,0,0,0|1,0,0]=3 103 B7R0.4 CSSCCC(C)C HMDB0032408 [0,1,1,0,0,0|2,0,0]=4 104 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,1,1,0,0,0|1,0,1]=4 105 B7R0.8 COCCC(C)(C)S HMDB0036194 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,1,1,0,0,0|1,0,1]=4 107 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,1,0,0,0|1,0,0]=3 108 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,1,0,0,0|1,0,0]=3 109 B7R0.1 CCCCCCCO HMDB0031479 [0,1,1,0,0,0|1,0,0]=3 110 B7R0.1 CCCCCCCS HMDB0032304 [0,1,1,0,0,0|1,0,0]=3 111 B7R0.1 CCCCCCOC HMDB0032407 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.1 CCCCCN=C=S HMDB0038433 [0,1,1,0,0,0|1,0,1]=4 113 B7R0.1 CCCCCOC=O HMDB0040327 [0,1,1,0,0,0|1,0,1]=4 114 B7R0.1 CCCCCSSC HMDB0031161 [0,1,1,0,0,0|2,0,0]=4 115 B7R0.1 CCCCOCCO HMDB0031327 [0,1,1,0,0,0|1,0,0]=3 116 B7R0.1 CCCCSSCC HMDB0032180 [0,1,1,0,0,0|2,0,0]=4 117 B7R0.1 CCCSSCCC HMDB0031472 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.1 SCCCCCCS HMDB0031709 [0,1,1,0,0,0|1,0,0]=3 119 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,1,0,0,1,0|2,0,0]=4 120 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,1,0,0,1,0|1,0,1]=4 121 B7R1.1 OCC1CCCO1 HMDB0031175 [0,1,0,0,1,0|2,0,0]=4 122 B7R1.4 CC1OCCC1O HMDB0039799 [0,1,0,0,1,0|2,0,0]=4 123 B7R1.4 CC1OCCC1S HMDB0036138 [0,1,0,0,1,0|2,0,0]=4 124 B7R1.4 CC1SCCC1O HMDB0035244 [0,1,0,0,1,0|2,0,0]=4 125 B7R1.4 CC1SCCC1S HMDB0039790 [0,1,0,0,1,0|2,0,0]=4 126 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,0,1,0|1,0,1]=4 127 B7R1.14 CC1(S)CCCS1 HMDB0039789 [0,1,0,0,1,0|2,0,0]=4 128 B9R1.6 CC(C)C1CCCCC1 HMDB0038191 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,2,0,0,0,0|1,0,0]=3 130 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.8 O=COC1CCCCC1 HMDB0031351 [0,2,0,0,0,0|1,0,0]=3 132 B9R1.3 CC1NCCC(O)C1O HMDB0036382 [0,2,0,0,0,0|2,0,0]=4 133 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,0,1,0|1,0,0]=3