0 B7R1.4 CC1=C(C)C=CS1 HMDB0032977 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.4 CC1=C(C)N=CS1 HMDB0032976 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.4 CC1=C(S)C=CS1 HMDB0039787 [0,0,0,0,0,0|0,1,3]=4 3 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [0,0,0,0,0,0|0,2,1]=3 4 B7R1.4 CC1=C(S)CCS1 HMDB0039792 [0,0,0,0,0,0|0,1,1]=2 5 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,0,0,0|1,0,1]=2 6 B7R1.4 CC1CCOC1=O HMDB0035143 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 CC1OCCC1=O HMDB0031178 [0,0,0,0,0,0|0,1,0]=1 8 B7R1.4 CC1OCCC1O HMDB0039799 [0,0,0,0,0,0|0,1,2]=3 9 B7R1.4 CC1OCCC1S HMDB0036138 [0,0,0,0,0,0|0,2,1]=3 10 B7R1.4 CC1SCCC1=O HMDB0038556 [0,0,0,0,0,0|0,0,0]=0 11 B7R1.4 CC1SCCC1O HMDB0035244 [0,0,0,0,0,0|0,0,2]=2 12 B7R1.4 CC1SCCC1S HMDB0039790 [0,0,0,0,0,0|0,1,1]=2 13 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 SC1COCC1=O HMDB0039786 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 CC1=CC=CS1 HMDB0033118 [1,0,0,0,0,0|0,0,3]=4 16 B6R1.2 CC1=CCCS1 HMDB0033565 [1,0,0,0,0,0|0,0,1]=2 17 B6R1.2 CC1=CN=CS1 HMDB0033117 [1,0,0,0,0,0|1,0,2]=4 18 B6R1.2 CC1=COCC1 HMDB0040584 [1,0,0,0,0,0|1,1,1]=4 19 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,0,0,0|1,0,1]=3 20 B6R1.2 CC1CC=CS1 HMDB0033564 [1,0,0,0,0,0|0,0,3]=4 21 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,0,0,0|1,0,1]=3 22 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,0,0,0|1,0,1]=3 23 B6R1.2 CC1CNC=C1 HMDB0033529 [1,0,0,0,0,0|2,0,1]=4 24 B6R1.2 CC1COC=C1 HMDB0037788 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,0,0,0|1,0,0]=2 26 B6R1.2 CC1SCCS1 HMDB0036179 [1,0,0,0,0,0|1,0,0]=2 27 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,0,0,0|1,0,0]=2 28 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,0,0,0|2,0,0]=3 29 B6R1.2 O=C1CCON1 HMDB0039426 [1,0,0,0,0,0|1,1,0]=3 30 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,0,0,0|0,0,0]=1 31 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 SC1CCCC1 HMDB0039771 [1,0,0,0,0,0|1,1,1]=4 33 B6R1.2 SC1CCCS1 HMDB0040250 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.11 CCC1SCCC1=O HMDB0040238 [0,1,0,0,0,0|0,0,0]=1 35 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,1,0,0,0,0|0,2,1]=4 36 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,0,0,0|0,1,2]=4 38 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,1,0,0,0,0|2,1,0]=4 39 B8R1.18 CC1SC(C)C(C)=N1 HMDB0038973 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.50 CC1=C(O)C(=O)CS1 HMDB0033548 [0,1,0,0,0,0|0,0,3]=4 41 B8R1.50 CC1=C(S)C(=O)CS1 HMDB0039828 [0,1,0,0,0,0|0,1,2]=4 42 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 C/C=N\N(C)C=O HMDB0033952 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.1 CC(CC=C)C=O HMDB0030332 [0,0,1,0,0,0|1,0,2]=4 45 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,0,1,0,0,0|1,0,1]=3 46 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [0,0,1,0,0,0|1,0,2]=4 47 B6R0.1 CCC(=O)CSC HMDB0037193 [0,0,1,0,0,0|2,0,0]=3 48 B6R0.1 CCC(C)CCO HMDB0033676 [0,0,1,0,0,0|1,1,1]=4 49 B6R0.1 CCCC(=O)OC HMDB0033890 [0,0,1,0,0,0|2,0,0]=3 50 B6R0.1 CCCC(=O)SC HMDB0031191 [0,0,1,0,0,0|2,0,0]=3 51 B6R0.1 CCCC(C)C=O HMDB0031578 [0,0,1,0,0,0|1,0,0]=2 52 B6R0.1 CCCC(O)C=C HMDB0031503 [0,0,1,0,0,0|3,0,0]=4 53 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,1,0,0,0|1,0,2]=4 54 B6R0.1 CCOC(=O)CC HMDB0030058 [0,0,1,0,0,0|2,0,0]=3 55 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,1,0,0,0|1,1,1]=4 56 B6R0.1 COC(=O)CSC HMDB0035646 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.3 BrC(Br)C(=O)CI HMDB0040189 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,0,1,0,0,0|2,0,1]=4 59 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,0,1,0,0,0|2,0,1]=4 60 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,1,0,0,0|0,1,1]=3 61 B6R0.3 CCC(=O)C(C)S HMDB0035171 [0,0,1,0,0,0|0,0,0]=1 62 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,0,1,0,0,0|2,0,0]=3 63 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,0,1,0,0,0|2,0,1]=4 64 B6R0.3 CCC(O)C(C)=O HMDB0031516 [0,0,1,0,0,0|2,0,0]=3 65 B6R0.3 CCC(S)C(C)=O HMDB0034896 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,0,1,0,0,0|2,0,1]=4 68 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,0,1,0,0,0|2,0,0]=3 69 B6R0.3 CSC(C)C(C)=O HMDB0041558 [0,0,1,0,0,0|0,0,0]=1 70 B6R0.6 C/C=C/CCC=O HMDB0040271 [0,0,1,0,0,0|1,0,1]=3 71 B6R0.6 C/C=C\CCC=O HMDB0033549 [0,0,1,0,0,0|1,0,1]=3 72 B6R0.6 CC/C=C\CC=O HMDB0031498 [0,0,1,0,0,0|1,0,1]=3 73 B6R0.6 CCC/C=C\C=O HMDB0040264 [0,0,1,0,0,0|1,0,2]=4 74 B6R0.6 CCC=CCC=O HMDB0031497 [0,0,1,0,0,0|1,0,1]=3 75 B6R0.6 CCCC=CC=O HMDB0031496 [0,0,1,0,0,0|1,0,2]=4 76 B6R0.6 CCCCCCC HMDB0031447 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.6 CCCCCCN HMDB0032323 [0,0,1,0,0,0|2,0,1]=4 78 B6R0.6 CCCCCCO HMDB0012971 [0,0,1,0,0,0|1,0,2]=4 79 B6R0.6 CCCCCCS HMDB0039806 [0,0,1,0,0,0|1,1,1]=4 80 B6R0.6 CCCCCSS HMDB0031160 [0,0,1,0,0,0|2,1,0]=4 81 B6R0.6 CCCCOC=O HMDB0040575 [0,0,1,0,0,0|2,0,0]=3 82 B6R0.6 CCCCON=O HMDB0031329 [0,0,1,0,0,0|3,0,0]=4 83 B6R0.6 CCCSSCC HMDB0033053 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.6 CCSSCSC HMDB0033047 [0,0,1,0,0,0|3,0,0]=4 85 B6R0.6 CSCCCC=O HMDB0037474 [0,0,1,0,0,0|2,0,0]=3 86 B6R0.6 CSSSCC=C HMDB0034416 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.6 O=CCCCC=O HMDB0029599 [0,0,1,0,0,0|2,0,1]=4 88 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,0,0,1|1,0,1]=3 89 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,0,0,0,0,1|1,0,0]=2 90 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,0,0,1|1,0,2]=4 91 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,0,0,1|1,1,1]=4 92 B8R1.4 CC1NC(C)SCS1 HMDB0039817 [0,0,0,0,0,1|2,0,1]=4 93 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,0,0,1|1,0,0]=2 94 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,0,0,0,0,1|2,0,1]=4 95 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,1,0,0,0|1,1,0]=4 96 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,1,0,0,0|1,0,1]=4 97 B5R0.1 CC(=O)CCS HMDB0041015 [1,0,1,0,0,0|0,0,0]=2 98 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,1,0,0,0|1,0,1]=4 99 B5R0.1 CC(C)CCS HMDB0033902 [1,0,1,0,0,0|1,0,1]=4 100 B5R0.1 CC(O)CCS HMDB0041475 [1,0,1,0,0,0|0,0,2]=4 101 B5R0.1 CC(S)CCS HMDB0033552 [1,0,1,0,0,0|0,1,1]=4 102 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,1,0,0,0|1,0,0]=3 103 B5R0.1 CCCC(C)O HMDB0031599 [1,0,1,0,0,0|0,1,1]=4 104 B5R0.1 CCCC(C)S HMDB0041010 [1,0,1,0,0,0|0,0,1]=3 105 B5R0.1 CCCC(N)=O HMDB0033870 [1,0,1,0,0,0|2,0,0]=4 106 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,1,0,0,0|2,0,0]=4 107 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,1,0,0,0|1,0,1]=4 108 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,1,0,0,0|0,1,1]=4 109 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,1,0,0,0|0,0,1]=3 110 B5R0.1 CSCC(C)=O HMDB0040170 [1,0,1,0,0,0|0,0,0]=2 111 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,1,0,0,0|2,0,0]=4 112 B5R0.1 OC(=O)CCS HMDB0041604 [1,0,1,0,0,0|1,0,0]=3 113 B5R0.2 C=CCCC=O HMDB0032458 [1,0,1,0,0,0|0,0,2]=4 114 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,1,0,0,0|0,0,2]=4 115 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,1,0,0,0|0,1,1]=4 116 B5R0.2 CCCCC#N HMDB0040173 [1,0,1,0,0,0|1,0,1]=4 117 B5R0.2 CCCCC=O HMDB0031206 [1,0,1,0,0,0|0,0,0]=2 118 B5R0.2 CCCCCC HMDB0029600 [1,0,1,0,0,0|1,0,1]=4 119 B5R0.2 CCCCCS HMDB0032457 [1,0,1,0,0,0|0,0,1]=3 120 B5R0.2 CCCOC=O HMDB0040253 [1,0,1,0,0,0|1,0,0]=3 121 B5R0.2 CCCSSC HMDB0031872 [1,0,1,0,0,0|1,0,1]=4 122 B5R0.2 CCOCCO HMDB0031213 [1,0,1,0,0,0|0,1,1]=4 123 B5R0.2 CCSSC=C HMDB0033052 [1,0,1,0,0,0|1,0,1]=4 124 B5R0.2 CCSSCC HMDB0029572 [1,0,1,0,0,0|1,0,1]=4 125 B5R0.2 CSCCC=O HMDB0031857 [1,0,1,0,0,0|0,0,0]=2 126 B5R0.2 CSCCCO HMDB0031716 [1,0,1,0,0,0|0,0,2]=4 127 B5R0.2 CSCCSC HMDB0031708 [1,0,1,0,0,0|2,0,0]=4 128 B5R0.2 CSSCC=C HMDB0041389 [1,0,1,0,0,0|1,0,1]=4 129 B5R0.2 C[Se]SCC=C HMDB0030877 [1,0,1,0,0,0|1,0,1]=4 130 B5R0.3 BrCC(=O)CI HMDB0040190 [1,0,1,0,0,0|2,0,0]=4 131 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,1,0,0,0|0,0,2]=4 132 B5R0.3 CC/C(C)=C/S HMDB0040347 [1,0,1,0,0,0|0,1,1]=4 133 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,1,0,0,0|0,0,2]=4 134 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,1,0,0,0|0,1,0]=3 135 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,1,0,0,0|1,0,0]=3 136 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,1,0,0,0|1,0,0]=3 137 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,1,0,0,0|0,0,0]=2 138 B5R0.3 CCC(C)CN HMDB0032392 [1,0,1,0,0,0|1,0,1]=4 139 B5R0.3 CCC(C)CO HMDB0031527 [1,0,1,0,0,0|0,0,2]=4 140 B5R0.3 CCC(C)CS HMDB0035418 [1,0,1,0,0,0|0,1,1]=4 141 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,1,0,0,0|2,0,0]=4 142 B5R0.3 CCC(S)CS HMDB0041492 [1,0,1,0,0,0|0,1,1]=4 143 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,1,0,0,0|0,0,0]=2 144 B5R0.3 COC(=O)OC HMDB0029580 [1,0,1,0,0,0|2,0,0]=4 145 B5R0.3 COC(C)OC HMDB0030061 [1,0,1,0,0,0|1,1,0]=4 146 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,0,1,0,0,0|0,0,2]=4 147 B5R0.5 CC(=O)C(Br)Br HMDB0040188 [1,0,1,0,0,0|2,0,0]=4 148 B5R0.5 CC(C)C(C)O HMDB0033777 [1,0,1,0,0,0|0,0,2]=4 149 B5R0.5 CC(C)C(C)S HMDB0036180 [1,0,1,0,0,0|0,1,1]=4 150 B5R0.5 CC(O)C(C)=C HMDB0039779 [1,0,1,0,0,0|1,1,0]=4 151 B5R0.5 CC(O)C(C)S HMDB0040185 [1,0,1,0,0,0|0,0,2]=4 152 B5R0.5 CC(S)C(C)=O HMDB0031982 [1,0,1,0,0,0|0,0,0]=2 153 B5R0.5 CC(S)C(C)S HMDB0031157 [1,0,1,0,0,0|0,1,1]=4 154 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,0,1,0,0,0|1,0,0]=3 155 B5R1.1 C1CC=CS1 HMDB0033875 [2,0,0,0,0,0|0,0,1]=3 156 B5R1.1 C1CCNC1 HMDB0031641 [2,0,0,0,0,0|1,0,1]=4 157 B5R1.1 C1SCSS1 HMDB0039433 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,1,0,0,0|2,0,0]=4 159 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,1,0,0,0|2,0,0]=4 160 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,1,0,0,0|1,1,0]=4 161 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,1,0,0,0|1,0,0]=3 162 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [0,1,1,0,0,0|2,0,0]=4 163 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,1,0,0,0|1,0,1]=4 164 B7R0.3 CCC(=O)SCC=C HMDB0037493 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,1,0,0,0|1,0,0]=3 166 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,1,0,0,0|2,0,0]=4 167 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,1,1,0,0,0|1,0,0]=3 168 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,1,0,0,0|1,0,0]=3 169 B7R0.3 CCSSC(C)SC HMDB0033046 [0,1,1,0,0,0|2,0,0]=4 170 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,1,1,0,0,0|2,0,0]=4 171 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,1,0,0,0|1,0,0]=3 172 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,1,1,0,0,0|1,0,1]=4 173 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,1,0,0,0|1,0,1]=4 174 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,1,0,0,0|1,0,1]=4 175 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,1,0,0,0|1,0,0]=3 176 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,1,1,0,0,0|2,0,0]=4 177 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,1,1,0,0,0|2,0,0]=4 178 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,1,1,0,0,0|2,0,0]=4 179 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,1,0,0,0|1,0,1]=4 180 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,1,0,0,0|1,0,0]=3 181 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,1,0,0,0|1,0,0]=3 182 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,1,1,0,0,0|0,0,0]=2 183 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,1,0,0,0|2,0,0]=4 184 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,1,0,0,0|0,0,2]=4 185 B7R0.7 CCSC(C)SSC HMDB0033057 [0,1,1,0,0,0|1,1,0]=4 186 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,1,0,0,0|1,0,1]=4 187 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,1,0,0,0|2,0,0]=4 188 B7R0.10 CCC(S)C(C)C=O HMDB0035176 [0,1,1,0,0,0|1,0,0]=3 189 B7R0.11 CSSC(C)(C)C=O HMDB0038889 [0,1,1,0,0,0|1,0,0]=3 190 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,1,1,0,0,0|2,0,0]=4 191 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,1,1,0,0,0|2,0,0]=4 192 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,1,0,0,0|2,0,0]=4 193 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,1,0,0,0|0,1,1]=4 194 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,1,1,0,0,0|1,0,0]=3 195 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,1,1,0,0,0|1,0,0]=3 196 B7R0.1 CCCC/C=C/C=O HMDB0033827 [0,1,1,0,0,0|1,0,1]=4 197 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,1,0,0,0|1,0,0]=3 199 B7R0.1 CCCCCOC=O HMDB0040327 [0,1,1,0,0,0|1,0,0]=3 200 B7R0.1 CCCCSSCC HMDB0032180 [0,1,1,0,0,0|1,0,1]=4 201 B7R0.1 CCCSSCC=C HMDB0033912 [0,1,1,0,0,0|2,0,0]=4 202 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,1,1,0,0,0|1,0,1]=4 203 B7R0.4 CC(C)CCOC=O HMDB0034163 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [0,1,1,0,0,0|1,0,1]=4 205 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,1,1,0,0,0|1,0,1]=4 206 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,1,0,0,0|1,0,0]=3 207 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,1,0,0,0|2,0,0]=4 209 B7R1.1 O=CN1CCCC1 HMDB0034587 [1,1,0,0,0,0|2,0,0]=4 210 B7R1.1 O=NN1CCCC1 HMDB0031642 [1,1,0,0,0,0|2,0,0]=4 211 B7R1.1 OCC1CCCO1 HMDB0031175 [1,1,0,0,0,0|0,1,1]=4 212 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,1,0,0,0,0|1,0,1]=4 213 B7R1.2 CC1=CC(S)CS1 HMDB0039791 [1,1,0,0,0,0|0,0,1]=3 214 B7R1.2 CC1CC(S)=CS1 HMDB0039796 [1,1,0,0,0,0|0,1,1]=4 215 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [1,1,0,0,0,0|2,0,0]=4 216 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [1,1,0,0,0,0|0,0,2]=4 217 B7R1.2 CC1COC(C)O1 HMDB0032230 [1,1,0,0,0,0|1,1,0]=4 218 B7R1.2 CC1SCC(C)=N1 HMDB0040331 [1,1,0,0,0,0|1,0,1]=4 219 B7R1.2 CC1SSC(C)S1 HMDB0031470 [1,1,0,0,0,0|2,0,0]=4 220 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [1,1,0,0,0,0|2,0,0]=4 221 B7R1.14 CC1(C)CCSS1 HMDB0038974 [1,1,0,0,0,0|1,0,1]=4 222 B7R1.14 CC1(S)CCCS1 HMDB0039789 [1,1,0,0,0,0|0,0,1]=3 223 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,0,0,1|1,0,1]=4 224 B9R1.3 CC1CCCC(=O)C1=O HMDB0034080 [0,1,0,0,0,1|1,0,0]=3 225 B9R1.34 CC1CC(O)CC(=O)O1 HMDB0033302 [0,1,0,0,0,1|1,0,0]=3 226 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,1,0,0,0,1|1,0,0]=3 227 B9R1.69 CC1NC(=O)CNC1=O HMDB0031547 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,2,0,0,0,0|1,0,1]=4 229 B9R1.202 COC1(C)SCCC1=O HMDB0040237 [0,2,0,0,0,0|0,0,0]=2 230 B9R1.23 CCC1SC(C)C(C)=N1 HMDB0037176 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,2,0,0,0,0|1,0,0]=3 232 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,2,0,0,0,0|1,0,1]=4 233 B9R1.37 CC1CC(C)C(=O)C1=O HMDB0037027 [0,2,0,0,0,0|1,0,1]=4 234 B9R1.106 CC1(O)C(O)COC1=O HMDB0029884 [0,2,0,0,0,0|2,0,0]=4 235 B7R1.3 CC1OCCCS1 HMDB0039826 [0,0,1,1,0,0|2,0,0]=4 236 B7R1.3 CC1SCCSS1 HMDB0037290 [0,0,1,1,0,0|1,1,0]=4 237 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [0,0,1,1,0,0|0,0,0]=2 238 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,1,1,0,0|2,0,0]=4 239 B5R1.4 C[C@H]1S[C@H]1C HMDB0039807 [0,0,0,0,2,0|1,0,1]=4