0 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.1 CC1=CN=C(C=C)C=N1 HMDB0037282 [1,0,0,0,0,0|0,0,2]=3 5 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 CSC1=NC=C(C)N=C1 HMDB0040060 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.2 CCC1=CN=CC(C)=N1 HMDB0041569 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.2 COC1=CN=CC(C)=N1 HMDB0040143 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.2 CSC1=CN=CC(C)=N1 HMDB0040061 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [1,0,0,0,0,0|0,0,0]=1 18 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.192 C/C=C/C1=NC(C)=C(C)N=C1 HMDB0039988 [0,1,0,0,0,0|0,0,1]=2 20 B11R1.192 CC1=C(C)N=C(CC=C)C=N1 HMDB0039985 [0,1,0,0,0,0|0,0,1]=2 21 B11R1.192 CCCC1=NC(C)=C(C)N=C1 HMDB0039996 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.279 CCC1=NC(C)=C(CC)N=C1 HMDB0036132 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.280 CCC1=CC(OC)=C(O)C=C1 HMDB0040175 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.280 CCC1=NC(CC)=C(C)N=C1 HMDB0032946 [0,1,0,0,0,0|0,0,0]=1 25 B9R1.23 CCC1=NC(C)=C(C)O1 HMDB0037865 [0,0,0,0,1,0|1,0,0]=2 26 B9R1.23 CCC1=NC(C)=C(C)S1 HMDB0040068 [0,0,0,0,1,0|1,0,0]=2 27 B9R1.23 CCC1SC(C)C(C)=N1 HMDB0037176 [0,0,0,0,1,0|1,0,2]=4 28 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [1,0,1,0,0,0|1,0,1]=4 29 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|2,0,0]=4 30 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|0,0,0]=2 32 B8R1.2 COC1=CN=CC=N1 HMDB0033156 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 CSC1=CN=CC=N1 HMDB0033152 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 SCC1=CN=CC=N1 HMDB0036186 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [2,0,0,0,0,0|0,0,0]=2 38 B8R1.4 CC1=CC=CC(C)=N1 HMDB0032972 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.4 CC1=CN=CC(C)=N1 HMDB0035248 [2,0,0,0,0,0|0,0,0]=2 40 B8R1.5 CC1=C(C)N=CC=N1 HMDB0032971 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.1 C/C=C/C1=NC=C(C)N=C1 HMDB0039997 [1,1,0,0,0,0|0,0,1]=3 42 B10R1.1 CC1=CN=C(CC=C)C=N1 HMDB0039993 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.1 CCCC1=NC=C(C)N=C1 HMDB0040000 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.1 CCOC1=NC=C(C)N=C1 HMDB0040142 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.3 CCC1=CN=C(CC)C=N1 HMDB0036808 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.13 CC(C)C1=CCC(C)=CC1 HMDB0005806 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.13 CC(C)C1=NC=C(C)N=C1 HMDB0037151 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.25 CC1=CN=C(C=C)C(C)=N1 HMDB0034891 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.25 CCC1=C(C)N=C(C)C=N1 HMDB0040299 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.25 COC1=C(C)N=C(C)C=N1 HMDB0040911 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.8 CCC1=CC(O)=CC(C)=C1 HMDB0038985 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.10 C/C=C/C1=CN=CC(C)=N1 HMDB0039990 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.10 CC1=NC(CC=C)=CN=C1 HMDB0039992 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.10 CCOC1=CN=CC(C)=N1 HMDB0040144 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.30 CCC1=C(O)C=CC(C)=C1 HMDB0038988 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.30 CCC1=NC(C)=CN=C1C HMDB0032276 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.113 CC(=O)C1=CC=CC(C)=N1 HMDB0037072 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.113 CC(C)C1=CC=CC(C)=C1 HMDB0037051 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.172 CCC1=CN=CC(CC)=N1 HMDB0036809 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.118 CC1=NC(C)=C(C)N=C1C HMDB0036584 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.35 CCC1=NC(C)=C(CC)S1 HMDB0040075 [0,1,0,0,1,0|1,0,0]=3 66 B10R1.58 CC(C)C1=NC(C)=C(C)O1 HMDB0037871 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.58 CC(C)C1=NC(C)=C(C)S1 HMDB0040074 [0,1,0,0,1,0|1,0,0]=3 68 B10R1.131 CCCC1=NC(C)=C(C)O1 HMDB0037869 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.131 CCCC1=NC(C)=C(C)S1 HMDB0040073 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.1123 CC1=NC(C)=C(CC=C)N=C1C HMDB0039982 [0,2,0,0,0,0|0,0,1]=3 71 B12R1.1123 CCCC1=C(C)N=C(C)C(C)=N1 HMDB0040001 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.448 CCC1=C(CC)N=C(C)C(C)=N1 HMDB0039980 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.449 CCC1=NC(CC)=C(C)N=C1C HMDB0039981 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.450 CCC1=NC(C)=C(CC)N=C1C HMDB0039979 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 HMDB0040176 [0,2,0,0,0,0|2,0,0]=4 76 B10R2.32 CC1=C2SCCC2=CO1 HMDB0032922 [0,0,0,1,1,0|2,0,0]=4 77 B12R2.100 CC1=NC2=C(CCC2)N=C1C HMDB0036142 [0,1,0,1,0,0|0,0,0]=2 78 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.1 CCC1=CN=C(C)O1 HMDB0037859 [1,0,0,0,1,0|1,0,0]=3 81 B8R1.1 CCC1=CN=C(C)S1 HMDB0040096 [1,0,0,0,1,0|1,0,0]=3 82 B8R1.1 CCC1=COC(C)=N1 HMDB0037838 [1,0,0,0,1,0|1,0,0]=3 83 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,1,0|1,0,0]=3 84 B8R1.1 CCC1=NC(C)=CO1 HMDB0037837 [1,0,0,0,1,0|1,0,0]=3 85 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,1,0|1,0,0]=3 86 B8R1.1 CCC1=NC=C(C)O1 HMDB0037858 [1,0,0,0,1,0|1,0,0]=3 87 B8R1.1 COC1=CN=C(C)S1 HMDB0037178 [1,0,0,0,1,0|2,0,0]=4 88 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,0,0,0,1,0|1,0,0]=3 89 B8R1.18 CC1=CC(S)=C(C)O1 HMDB0040197 [1,0,0,0,1,0|2,0,0]=4 90 B8R1.18 CC1=NC(C)=C(C)O1 HMDB0040148 [1,0,0,0,1,0|1,0,0]=3 91 B8R1.18 CC1=NC(C)=C(C)S1 HMDB0033155 [1,0,0,0,1,0|1,0,0]=3 92 B8R1.50 CN1C(C)=CC=C1C HMDB0029722 [1,0,0,0,1,0|2,0,0]=4