0 B9R1.35 [C@H]1(CSC(S)=N1)C(O)=O HMDB0041805 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,0,0|0,1,0]=2 5 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,1,0,0,0,0|2,1,0]=4 7 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,1,0,0,0|1,1,1]=4 8 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,1,0,0,0|1,1,1]=4 9 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,1,0,0,0|1,1,1]=4 10 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [0,0,1,0,0,0|1,1,1]=4 11 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.13 NC(=O)C1=CNC(=O)C=N1 HMDB0001978 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,1|1,0,0]=2 19 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,1,0,0,0|1,0,1]=4 20 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [1,0,1,0,0,0|1,1,0]=4 21 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [1,0,1,0,0,0|1,1,0]=4 22 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.11 COC(=O)C1=CC=CO1 HMDB0029750 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.11 COC(=O)C1=CC=CS1 HMDB0029719 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,1,0,0,0,1|2,0,0]=4 26 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,1|2,0,0]=4 27 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 HMDB0000226 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.74 OC(=O)C1=CC(O)=CC(O)=C1 HMDB0013677 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.159 NC1=C(O)C=CC=C1C(O)=O HMDB0001476 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.159 OC(=O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [0,0,1,1,0,0|2,0,0]=4 38 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,1|2,0,0]=4 39 B9R1.13 OC(=O)CC1=CN=CN1 HMDB0002024 [1,0,0,0,0,1|2,0,0]=4 40 B9R1.13 OC(=O)CN1C=CN=C1 HMDB0029736 [1,0,0,0,0,1|2,0,0]=4 41 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,0,0,0,0,2|2,0,0]=4