0 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1CCC=C1 HMDB0031544 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 NC1=CN=CN1 HMDB0003929 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,0,0,0,0,0|4,0,0]=4 7 B5R1.1 C1CC=NC1 HMDB0012497 [1,0,0,0,0,0|1,0,2]=4 8 B5R1.1 O1C=CC=C1 HMDB0013785 [1,0,0,0,0,0|2,0,0]=3 9 B5R1.1 S1C=CC=C1 HMDB0029718 [1,0,0,0,0,0|2,0,0]=3 10 B5R1.1 S1C=CN=C1 HMDB0029713 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,1,0,0,0,0|3,0,0]=4 12 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.1 C/C=C/C(C)=O HMDB0001184 [0,0,1,0,0,0|3,0,0]=4 16 B5R0.1 CC(=C)CCO HMDB0030126 [0,0,1,0,0,0|2,0,1]=4 17 B5R0.1 CC(C)=CC=O HMDB0012157 [0,0,1,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)=CCO HMDB0030124 [0,0,1,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)=CCS HMDB0031529 [0,0,1,0,0,0|2,0,1]=4 20 B5R0.2 C=C/C=C\C=O HMDB0031597 [0,0,1,0,0,0|3,0,0]=4 21 B5R0.2 C[Se]S/C=C/C HMDB0030880 [0,0,1,0,0,0|2,0,1]=4 22 B5R0.3 C/C=C(/C)C=O HMDB0031512 [0,0,1,0,0,0|2,0,0]=3 23 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,0,0,1|2,0,1]=4 24 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,0,0,1|2,0,0]=3 25 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [0,0,0,0,0,1|3,0,0]=4 26 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [0,0,0,0,0,1|3,0,0]=4 27 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,1,0,0,0|1,0,0]=3 28 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,1,0,0,0|2,0,0]=4 29 B4R0.1 CC(=O)CN HMDB0002134 [1,0,1,0,0,0|1,0,1]=4 30 B4R0.1 NC(=O)C=C HMDB0004296 [1,0,1,0,0,0|2,0,0]=4 31 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,1,0,0,0|2,0,0]=4 32 B4R0.2 C/C=C/SO HMDB0031636 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,1,0,0,0|2,0,0]=4 34 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,1,0,0,0|2,0,0]=4 35 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,1,0,0,0,1|1,0,0]=3 36 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [0,1,0,0,0,1|1,0,0]=3 37 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,0,0,1|1,0,0]=3 41 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.4 O=C1NC=CC(=O)N1 HMDB0000300 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.8 CSCC1=CSC=C1 HMDB0032429 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.8 O=CCC1=CN=CN1 HMDB0003905 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,2,0,0,0,0|2,0,0]=4 50 B6R1.1 C1=CN=CN=C1 HMDB0003361 [0,0,1,1,0,0|2,0,0]=4