0 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.113 C[N+]1=CC=CC(=C1)C(N)=O HMDB0000699 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HMDB0002730 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.113 OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,0,0|1,1,1]=4 9 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.21 CN1C=C(C=CC1=O)C(N)=O HMDB0004193 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.21 OC1=CC=C(C=C1O)[N+]([O-])=O HMDB0002916 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.74 OC(=O)C1=CC(=O)NC(=O)N1 HMDB0000226 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.74 OC(=O)C1=CC(O)=CC(O)=C1 HMDB0013677 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.159 NC1=C(O)C=CC=C1C(O)=O HMDB0001476 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.159 OC(=O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.167 CN1C=CC(=O)C(=C1)C(N)=O HMDB0004194 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,0|0,0,0]=1 32 B9R0.47 N/C(=C/C=C\C=O)C(O)=O HMDB0001280 [0,0,1,0,0,0|1,0,1]=3 33 B9R0.55 OC(=O)/C=C/C=C/C(O)=O HMDB0002349 [0,0,1,0,0,0|1,0,0]=2 34 B9R0.55 OC(=O)/C=C\C=C/C(O)=O HMDB0006331 [0,0,1,0,0,0|1,0,0]=2 35 B9R0.55 OC(=O)C/C=C/CC(O)=O HMDB0000393 [0,0,1,0,0,0|1,0,2]=4 36 B9R0.55 OC(=O)CC/C=C/C(O)=O HMDB0013311 [0,0,1,0,0,0|1,0,2]=4 37 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,0,0,0,0,1|1,0,0]=2 38 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [1,0,1,0,0,0|1,0,1]=4 39 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [1,0,1,0,0,0|1,0,1]=4 40 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [1,0,1,0,0,0|1,0,1]=4 41 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|0,0,0]=2 43 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,1]=4 44 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [2,0,0,0,0,0|0,0,1]=3 45 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [2,0,0,0,0,0|0,0,0]=2 46 B10R0.98 N/C(=C/C=C\C(O)=O)C(O)=O HMDB0001241 [0,1,1,0,0,0|1,0,0]=3 47 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.172 COC1=CC(OC)=CC=C1 HMDB0029672 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|0,1,0]=3 66 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,0,1|1,0,0]=3 73 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,1,0,0,0,1|0,0,0]=2 74 B12R1.127 OC(=O)CC1=C(O)C=CC(O)=C1 HMDB0000130 [0,1,0,0,0,1|0,0,0]=2 75 B12R1.127 OC(=O)CC1=CC(=O)C=CC1=O HMDB0002334 [0,1,0,0,0,1|0,0,1]=3 76 B12R1.225 OC(C(O)=O)C1=CC(O)=CC=C1 HMDB0000750 [0,1,0,0,0,1|0,0,0]=2 77 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [0,2,0,0,0,0|0,0,1]=3 79 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|0,0,2]=4 80 B12R1.894 NC1=CC=C(O)C(C(O)=O)=C1N HMDB0013159 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.66 OC(=O)/C=C/C1=CNC=N1 HMDB0000301 [0,0,1,1,0,0|2,0,0]=4 82 B12R2.196 OC1=CC=CC2=C1COC2=O HMDB0032598 [0,1,0,1,0,0|0,0,0]=2 83 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,1,0,1,0|1,0,1]=4 84 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,1,0|2,0,0]=4 85 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,1,0|1,0,0]=3 86 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,1,0|1,0,0]=3 87 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,1,0|1,0,0]=3 88 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,1|1,0,0]=3 89 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,0,1|1,0,0]=3 90 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,1|0,0,0]=2 91 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,0,1|1,0,0]=3 92 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [0,0,0,0,0,2|0,0,0]=2