0 B6R0.6 C/C=C/S/C=C/C HMDB0040234 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCSCC=C HMDB0036491 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 CCCCCCS HMDB0039806 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 CCCS/C=C/C HMDB0040244 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 CCCSSCC HMDB0033053 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 CCCSSSC HMDB0031871 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 CCSSCSC HMDB0033047 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 CCSSSCC HMDB0039524 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 CSCCCC=O HMDB0037474 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 CSCCCCO HMDB0041562 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 CSCCN=C=S HMDB0038442 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 CSCSCSC HMDB0032547 [0,0,0,0,0,0|0,0,0]=0 17 B6R0.6 CSSSCC=C HMDB0034416 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.2 CC/C=C/SC HMDB0038892 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.2 CCCCC#N HMDB0040173 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.2 CCSSC=C HMDB0033052 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.2 CCSSSC HMDB0038891 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,1,0]=3 30 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|0,0,0]=1 31 B5R0.2 CSCSSC HMDB0031875 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.2 CSS/C=C\C HMDB0041391 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 CSSCC=C HMDB0041389 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 CSSSSC HMDB0041065 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,0,0,0,0|1,1,1]=4 36 B5R0.2 C[Se]SCC=C HMDB0030877 [1,0,0,0,0,0|1,1,1]=4 37 B7R0.1 CCCCCCCO HMDB0031479 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.1 CCCCCCCS HMDB0032304 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.1 CCCCCCOC HMDB0032407 [0,1,0,0,0,0|2,1,0]=4 40 B7R0.1 CCCCCSSC HMDB0031161 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.1 CCCCSSCC HMDB0032180 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.1 CCCSS/C=C\C HMDB0041392 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.1 CCCSSCC=C HMDB0033912 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.1 CCCSSCCC HMDB0031472 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.1 CCSCSSCC HMDB0033056 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.1 CSCCCN=C=S HMDB0034370 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.1 CSSSSCC=C HMDB0036350 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.3 CCCCC(O)CC HMDB0031481 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.3 CCCSC(S)CC HMDB0040056 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.3 CCSSC(C)SC HMDB0033046 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,0,0,0,0|1,1,1]=4 53 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.4 CSSCCC(C)C HMDB0032408 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.7 N#CCCC1CS1 HMDB0038460 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.24 C1SCSSCS1 HMDB0031719 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.24 C1SSCSSS1 HMDB0031258 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.24 C1SSSSSS1 HMDB0035871 [0,0,0,1,0,0|3,0,0]=4 62 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|1,0,0]=3 65 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|0,0,0]=2 67 B4R0.2 CCSSC HMDB0032912 [2,0,0,0,0,0|0,0,0]=2 68 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|0,0,2]=4 69 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|0,1,1]=4 70 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|0,1,0]=3 71 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|0,0,0]=2 72 B4R0.2 CS[Se]SC HMDB0030876 [2,0,0,0,0,0|0,1,0]=3 73 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.1 CCC(=O)CSC HMDB0037193 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|1,1,0]=4 78 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|0,1,1]=4 79 B6R0.1 CSC(C)CC=O HMDB0041491 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 CCCSC(C)=O HMDB0033856 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.4 CCSSC(C)C HMDB0033054 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.4 CSCCC(C)O HMDB0041476 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,2,0,0,0,0|1,1,0]=4 87 B8R0.1 CCCSS(=O)CCC HMDB0034394 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.1 CCSSC(C)SCC HMDB0033055 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.4 CCCCSCCCC HMDB0031660 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.4 CCCCSSCCC HMDB0033051 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.4 CCCSSSCCC HMDB0032825 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.4 CSCCCCSC#N HMDB0038446 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.4 CSSSSSCC=C HMDB0036351 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.6 CCCCCC(S)SC HMDB0039783 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|1,1,0]=4 97 B8R0.6 CSC(C)SSCC=C HMDB0032115 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,2,0,0,0,0|1,1,0]=4 99 B8R0.11 CCSSC(CC)SC HMDB0039654 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.19 CCC(S)SC(S)CC HMDB0040235 [0,2,0,0,0,0|2,0,0]=4 101 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.1 C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,1,0]=4 104 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|0,0,0]=2 105 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,1,0,0|0,0,0]=2 106 B6R1.1 C1CSSSC1 HMDB0040452 [1,0,0,1,0,0|1,0,0]=3 107 B6R1.1 C1SCSCS1 HMDB0036573 [1,0,0,1,0,0|0,0,0]=2 108 B6R1.1 C1SSCSS1 HMDB0031185 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.2 CC1CC=CS1 HMDB0033564 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.2 CC1SCCS1 HMDB0036179 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 SC1CCCC1 HMDB0039771 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 SC1CCCS1 HMDB0040250 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.3 N#CCC1CS1 HMDB0038624 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.49 C1SCSSCSS1 HMDB0039431 [0,1,0,1,0,0|1,0,0]=3