0 B5R0.2 C=CCCC=O HMDB0032458 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.2 CC/C=C/SC HMDB0038892 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 CC/C=C\C=O HMDB0031601 [0,0,0,0,0,0|0,0,4]=4 3 B5R0.2 CC/C=C\CO HMDB0031604 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.2 CCCCC#N HMDB0040173 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.2 CCCCC=O HMDB0031206 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.2 CCCCCC HMDB0029600 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.2 CCCCCS HMDB0032457 [0,0,0,0,0,0|0,1,0]=1 8 B5R0.2 CCCOC=O HMDB0040253 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 CCCSSC HMDB0031872 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCOCCO HMDB0031213 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.2 CCSSC=C HMDB0033052 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.2 CCSSCC HMDB0029572 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCSSSC HMDB0038891 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.2 CSCCC=O HMDB0031857 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.2 CSCCCO HMDB0031716 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.2 CSCCSC HMDB0031708 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 CSCSSC HMDB0031875 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.2 CSSCC=C HMDB0041389 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.2 C[Se]SCC=C HMDB0030877 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 C/C=C/SO HMDB0031636 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 C/C=C\CO HMDB0033858 [1,0,0,0,0,0|0,0,2]=3 22 B4R0.2 CCC=S=O HMDB0040346 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.2 CCCCC HMDB0029603 [1,0,0,0,0,0|0,0,0]=1 24 B4R0.2 CCCCN HMDB0031321 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 CCCCS HMDB0031322 [1,0,0,0,0,0|0,1,0]=2 26 B4R0.2 CCCSO HMDB0030299 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.2 CCOC=O HMDB0031229 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 CCON=O HMDB0031239 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CCSCC HMDB0031666 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 CCSSC HMDB0032912 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CSCC=C HMDB0031653 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 CSCC=O HMDB0031718 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CSCCO HMDB0032425 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.2 CSCSC HMDB0031317 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 CS[Se]SC HMDB0030876 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 C[Se]CC=C HMDB0030878 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 OCCC=C HMDB0031324 [1,0,0,0,0,0|0,0,2]=3 38 B4R0.2 SCCCS HMDB0031632 [1,0,0,0,0,0|1,1,0]=3 39 B6R0.1 CCC(=O)CSC HMDB0037193 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCC(C)CCO HMDB0033676 [0,1,0,0,0,0|0,0,0]=1 41 B6R0.1 CCCC(=O)OC HMDB0033890 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CCCC(=O)SC HMDB0031191 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCCC(C)C=O HMDB0031578 [0,1,0,0,0,0|0,0,2]=3 44 B6R0.1 CCCC(O)C=C HMDB0031503 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.1 CCCC(O)CC HMDB0031493 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.1 CCOC(=O)CC HMDB0030058 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 CCOC(C)CC HMDB0031326 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CSC(C)CC=O HMDB0041491 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 CC(=O)OCCN HMDB0038394 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.4 CC(C)CN=C=S HMDB0032345 [0,1,0,0,0,0|1,1,1]=4 51 B6R0.4 CC(C)COC=O HMDB0031247 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,1,0,0,0,0|0,0,3]=4 53 B6R0.4 CCCCC(O)=O HMDB0000892 [0,1,0,0,0,0|0,0,1]=2 54 B6R0.4 CCCOC(C)=O HMDB0034237 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.4 CCCSC(C)=O HMDB0033856 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 CCOCC(O)=O HMDB0031212 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.4 CCSSC(C)C HMDB0033054 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.4 CSCCC(C)=O HMDB0031316 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.4 CSCCC(C)O HMDB0041476 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.4 CSCCC(O)=O HMDB0001527 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,1,0,0,0,0|0,0,3]=4 62 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.6 C/C=C/CCC=O HMDB0040271 [0,1,0,0,0,0|0,0,3]=4 64 B6R0.6 C/C=C\CCC=O HMDB0033549 [0,1,0,0,0,0|0,0,3]=4 65 B6R0.6 C/C=C\CCCO HMDB0031502 [0,1,0,0,0,0|0,0,1]=2 66 B6R0.6 CC/C=C\CC=O HMDB0031498 [0,1,0,0,0,0|0,0,3]=4 67 B6R0.6 CC/C=C\CCO HMDB0030003 [0,1,0,0,0,0|0,0,1]=2 68 B6R0.6 CCC/C=C/CO HMDB0030952 [0,1,0,0,0,0|0,0,1]=2 69 B6R0.6 CCC/C=C\C=O HMDB0040264 [0,1,0,0,0,0|0,0,3]=4 70 B6R0.6 CCC=CCC=O HMDB0031497 [0,1,0,0,0,0|0,0,3]=4 71 B6R0.6 CCCC=CC=O HMDB0031496 [0,1,0,0,0,0|0,0,3]=4 72 B6R0.6 CCCCCCC HMDB0031447 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.6 CCCCCCN HMDB0032323 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.6 CCCCCCO HMDB0012971 [0,1,0,0,0,0|0,0,0]=1 75 B6R0.6 CCCCCCS HMDB0039806 [0,1,0,0,0,0|0,1,0]=2 76 B6R0.6 CCCCCSS HMDB0031160 [0,1,0,0,0,0|0,1,0]=2 77 B6R0.6 CCCCN=C=S HMDB0031328 [0,1,0,0,0,0|0,1,1]=3 78 B6R0.6 CCCCOC=O HMDB0040575 [0,1,0,0,0,0|0,0,2]=3 79 B6R0.6 CCCCON=O HMDB0031329 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.6 CCCS/C=C/C HMDB0040244 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.6 CCCSCCC HMDB0031431 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.6 CCCSSCC HMDB0033053 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.6 CCCSSSC HMDB0031871 [0,1,0,0,0,0|2,1,0]=4 84 B6R0.6 CCSSCSC HMDB0033047 [0,1,0,0,0,0|2,1,0]=4 85 B6R0.6 CCSSSCC HMDB0039524 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.6 CSCCCC=O HMDB0037474 [0,1,0,0,0,0|0,0,2]=3 87 B6R0.6 CSCCCCO HMDB0041562 [0,1,0,0,0,0|0,0,0]=1 88 B6R0.6 CSCCN=C=S HMDB0038442 [0,1,0,0,0,0|1,1,1]=4 89 B6R0.6 CSCSCSC HMDB0032547 [0,1,0,0,0,0|2,1,0]=4 90 B6R0.6 NCCNCCN HMDB0031413 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.6 O=CCCCC=O HMDB0029599 [0,1,0,0,0,0|0,0,3]=4 92 B6R1.1 C1CCCCC1 HMDB0029597 [0,0,0,1,0,0|1,0,0]=2 93 B6R1.1 C1CCNCC1 HMDB0034301 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.1 C1COCCN1 HMDB0031581 [0,0,0,1,0,0|1,0,0]=2 95 B6R1.1 C1CSCCS1 HMDB0031474 [0,0,0,1,0,0|1,1,0]=3 96 B6R1.1 C1CSCSC1 HMDB0031473 [0,0,0,1,0,0|1,1,0]=3 97 B6R1.1 C1CSSSC1 HMDB0040452 [0,0,0,1,0,0|2,1,0]=4 98 B6R1.1 C1SCSCS1 HMDB0036573 [0,0,0,1,0,0|2,1,0]=4 99 B6R1.2 CC1=CCCS1 HMDB0033565 [0,0,0,1,0,0|0,1,2]=4 100 B6R1.2 CC1=COCC1 HMDB0040584 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,1,0,0|1,1,1]=4 102 B6R1.2 CC1CC=CS1 HMDB0033564 [0,0,0,1,0,0|0,1,2]=4 103 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,1,0,0|1,0,1]=3 104 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,1,0,0|1,0,0]=2 105 B6R1.2 CC1CNC=C1 HMDB0033529 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 CC1COC=C1 HMDB0037788 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 CC1NCCS1 HMDB0031682 [0,0,0,1,0,0|1,1,0]=3 108 B6R1.2 CC1SCCS1 HMDB0036179 [0,0,0,1,0,0|1,1,0]=3 109 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,1,0,0|0,0,2]=3 110 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,1,0,0|1,0,2]=4 111 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.2 SC1CCCC1 HMDB0039771 [0,0,0,1,0,0|0,1,0]=2 113 B6R1.2 SC1CCCS1 HMDB0040250 [0,0,0,1,0,0|1,1,0]=3 114 B6R1.3 N#CCC1CS1 HMDB0038624 [0,0,0,1,0,0|1,1,1]=4 115 B3R0.1 CCCN HMDB0034006 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.1 CCCS HMDB0034238 [2,0,0,0,0,0|0,1,0]=3 117 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|1,0,0]=3 118 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|2,0,0]=4 120 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,1,0]=4 121 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.1 C[Se][Se]C HMDB0033208 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 ClCCCl HMDB0029571 [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4 125 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|0,0,2]=4 126 B3R0.1 OCCO HMDB0032262 [2,0,0,0,0,0|1,0,0]=3 127 B3R0.1 SCCS HMDB0031707 [2,0,0,0,0,0|1,1,0]=4 128 B5R0.1 CC(=C)CCO HMDB0030126 [1,1,0,0,0,0|0,0,1]=3 129 B5R0.1 CC(=O)CCS HMDB0041015 [1,1,0,0,0,0|0,1,1]=4 130 B5R0.1 CC(C)=CCO HMDB0030124 [1,1,0,0,0,0|0,0,2]=4 131 B5R0.1 CC(C)CC=O HMDB0006478 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.1 CC(C)CCN HMDB0031659 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.1 CC(C)CCS HMDB0033902 [1,1,0,0,0,0|0,1,0]=3 134 B5R0.1 CC(O)CCO HMDB0031320 [1,1,0,0,0,0|0,0,0]=2 135 B5R0.1 CC(O)CCS HMDB0041475 [1,1,0,0,0,0|0,1,0]=3 136 B5R0.1 CC(S)CCS HMDB0033552 [1,1,0,0,0,0|0,1,0]=3 137 B5R0.1 CCCC(C)=O HMDB0034235 [1,1,0,0,0,0|0,0,1]=3 138 B5R0.1 CCCC(C)O HMDB0031599 [1,1,0,0,0,0|0,0,0]=2 139 B5R0.1 CCCC(C)S HMDB0041010 [1,1,0,0,0,0|0,0,0]=2 140 B5R0.1 CCCC(N)=O HMDB0033870 [1,1,0,0,0,0|0,0,2]=4 141 B5R0.1 CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|0,0,1]=3 142 B5R0.1 CCNC(C)=O HMDB0031215 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CCOC(O)=O HMDB0031232 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.1 CCSC(C)=O HMDB0031190 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 CN(C)CCO HMDB0032231 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.1 CSCC(C)=O HMDB0040170 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 OC(=O)CCI HMDB0031252 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 OC(=O)CCS HMDB0041604 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.3 C/C=C(\C)CO HMDB0034465 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,1]=3 152 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,2]=4 155 B5R0.3 CCC(C)CN HMDB0032392 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.3 CCC(C)CO HMDB0031527 [1,1,0,0,0,0|0,0,0]=2 157 B5R0.3 CCC(C)CS HMDB0035418 [1,1,0,0,0,0|0,1,0]=3 158 B5R0.3 CCC(O)C=C HMDB0031605 [1,1,0,0,0,0|0,0,2]=4 159 B5R0.3 CCC(S)CS HMDB0041492 [1,1,0,0,0,0|0,1,0]=3 160 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,2]=4 161 B5R0.3 COC(C)OC HMDB0030061 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.3 OCC(O)CCl HMDB0031334 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,2,0,0,0,0|0,0,1]=3 165 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,2,0,0,0,0|0,0,1]=3 168 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,2,0,0,0,0|0,0,1]=3 169 B7R0.3 CCCCC(C)CC HMDB0031583 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.3 CCCCC(O)CC HMDB0031481 [0,2,0,0,0,0|0,0,0]=2 171 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.3 CCCSC(S)CC HMDB0040056 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.3 COC(=O)CCSC HMDB0034377 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.5 CCCC(C)C(C)C HMDB0037617 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,2,0,0,0,0|0,0,1]=3 176 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,2,0,0,0,0|0,0,1]=3 181 B7R0.7 CCCC(S)CCO HMDB0040152 [0,2,0,0,0,0|0,0,0]=2 182 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,2,0,0,0,0|0,1,1]=4 183 B7R0.7 CCOC(C)OCC HMDB0031644 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.7 CCSC(C)CCO HMDB0032277 [0,2,0,0,0,0|0,0,0]=2 185 B7R0.10 CCC(S)C(C)C=O HMDB0035176 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.10 CCC(S)C(C)CO HMDB0034878 [0,2,0,0,0,0|0,0,0]=2 187 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,2,0,0,0,0|0,0,0]=2 189 B7R0.12 CCN(CC)CCO HMDB0033971 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,2,0,0,0,0|0,0,2]=4 191 B7R0.4 CC(C)CCN=C=S HMDB0032341 [0,2,0,0,0,0|0,1,1]=4 192 B7R0.4 CC(C)CCOC=O HMDB0034163 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.4 CC(O)CCCCO HMDB0031490 [0,2,0,0,0,0|0,0,0]=2 194 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,2,0,0,0,0|0,0,1]=3 195 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.4 CCCCCC(C)O HMDB0033908 [0,2,0,0,0,0|0,0,0]=2 198 B7R0.4 CCCCCC(C)S HMDB0032303 [0,2,0,0,0,0|0,1,0]=3 199 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,2,0,0,0,0|0,0,0]=2 200 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.4 CCCNCC(C)C HMDB0031244 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.4 CSSCCC(C)C HMDB0032408 [0,2,0,0,0,0|1,1,0]=4 204 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,2,0,0,0,0|0,0,1]=3 207 B7R0.8 CCCSS(O)(=O)=O HMDB0041066 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.8 COCCC(C)(C)S HMDB0036194 [0,2,0,0,0,0|1,1,0]=4 209 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,2,0,0,0,0|0,0,2]=4 212 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,2,0,0,0,0|0,0,0]=2 213 B7R0.1 CCCC/C=C/C=C HMDB0040966 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.1 CCCC/C=C/C=O HMDB0033827 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.1 CCCCCCC=C HMDB0032449 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.1 CCCCCCC=O HMDB0031475 [0,2,0,0,0,0|0,0,1]=3 217 B7R0.1 CCCCCCCO HMDB0031479 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.1 CCCCCCCS HMDB0032304 [0,2,0,0,0,0|0,1,0]=3 219 B7R0.1 CCCCCCOC HMDB0032407 [0,2,0,0,0,0|0,0,0]=2 220 B7R0.1 CCCCCN=C=S HMDB0038433 [0,2,0,0,0,0|0,1,0]=3 221 B7R0.1 CCCCCOC=O HMDB0040327 [0,2,0,0,0,0|0,0,0]=2 222 B7R0.1 CCCCCSSC HMDB0031161 [0,2,0,0,0,0|0,1,0]=3 223 B7R0.1 CCCCOCCO HMDB0031327 [0,2,0,0,0,0|0,0,0]=2 224 B7R0.1 CCCCSSCC HMDB0032180 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.1 CCCSSCC=C HMDB0033912 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.1 CCCSSCCC HMDB0031472 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.1 CCSCSSCC HMDB0033056 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.1 CSCCCN=C=S HMDB0034370 [0,2,0,0,0,0|0,1,1]=4 229 B7R0.1 SCCCCCCS HMDB0031709 [0,2,0,0,0,0|0,1,0]=3 230 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,0]=3 231 B5R1.3 ClCC1CO1 HMDB0034232 [1,0,0,1,0,0|1,0,0]=3 232 B5R1.4 C[C@H]1S[C@H]1C HMDB0039807 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,1,0,1,0,0|0,0,2]=4 234 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.1 OCC1CCCO1 HMDB0031175 [0,1,0,1,0,0|0,0,0]=2 236 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|0,0,1]=3 237 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [0,1,0,1,0,0|0,0,2]=4 238 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.2 CC1OCC(C)=N1 HMDB0040518 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.3 CC1CCCCN1 HMDB0032416 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.3 CC1OCCCS1 HMDB0039826 [0,1,0,1,0,0|0,0,0]=2 242 B7R1.3 CC1SCCSS1 HMDB0037290 [0,1,0,1,0,0|1,1,0]=4 243 B7R1.3 NC1CCCCC1 HMDB0031404 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [0,1,0,1,0,0|0,0,2]=4 245 B7R1.4 CC1CCOC1=O HMDB0035143 [0,1,0,1,0,0|0,0,2]=4 246 B7R1.4 CC1OCCC1=O HMDB0031178 [0,1,0,1,0,0|0,0,1]=3 247 B7R1.4 CC1OCCC1O HMDB0039799 [0,1,0,1,0,0|0,0,0]=2 248 B7R1.4 CC1OCCC1S HMDB0036138 [0,1,0,1,0,0|0,0,0]=2 249 B7R1.4 CC1SCCC1=O HMDB0038556 [0,1,0,1,0,0|0,0,2]=4 250 B7R1.4 CC1SCCC1O HMDB0035244 [0,1,0,1,0,0|0,0,0]=2 251 B7R1.4 CC1SCCC1S HMDB0039790 [0,1,0,1,0,0|0,1,0]=3 252 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.7 N#CCCC1CS1 HMDB0038460 [0,1,0,1,0,0|0,1,1]=4 254 B7R1.14 CC1(C)CCSS1 HMDB0038974 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.14 CC1(S)CCCS1 HMDB0039789 [0,1,0,1,0,0|0,1,0]=3 256 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [0,1,0,1,0,0|0,1,1]=4 257 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,1,0,1,0,0|1,0,1]=4