0 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.28 CC(=O)NCCC(O)=O T1373 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [0,1,0,0,0,0|2,0,0]=3 5 B9R0.1 CC(C)=CCCC(=C)C=C T5834 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.56 CC(=O)OCC[N+](C)(C)C T1221 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.56 CC(=O)OCC[N+](C)(C)C T20344 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.56 CC(=O)OCC[N+](C)(C)C T20522 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.56 CC(=O)OCC[N+](C)(C)C T6751 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|1,0,2]=4 16 B7R0.6 CC(=O)CCC(O)=O T5551 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.6 CC(=O)NCC(O)=O T4822 [0,0,0,0,1,0|3,0,0]=4 18 B7R0.6 CC(C)CCC(O)=O T19138 [0,0,0,0,1,0|1,0,2]=4 19 B9R0.55 CC(=O)OCCCC(O)=O T23605 [0,0,0,0,0,1|2,0,1]=4 20 B6R0.4 CC(C)CCC=O T20931 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.4 OC(=O)CCC=C T8032 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.9 COC(C)COC(C)=O T20988 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.3 CC(C)=CCC/C(C)=C/C=O T3154 [0,2,0,0,0,0|1,0,0]=3 25 B10R0.3 CC(C)=CCC/C(C)=C/CO T5665 [0,2,0,0,0,0|1,0,1]=4 26 B10R0.3 CC(C)=CCC/C(C)=C\CO T5645 [0,2,0,0,0,0|1,0,1]=4 27 B10R0.3 CC(CCC=C(C)C)CC=O T8061 [0,2,0,0,0,0|1,0,1]=4 28 B10R0.3 CCCC(=O)OCCC(C)C TN6702 [0,2,0,0,0,0|0,0,2]=4 29 B10R0.3 C[C@@H](CCC=C(C)C)CC=O T8013 [0,2,0,0,0,0|1,0,1]=4 30 B10R0.3 C[C@H](CCC=C(C)C)CC=O T13449 [0,2,0,0,0,0|1,0,1]=4 31 B10R0.31 CC(C[N+](C)(C)C)OC(C)=O T1682 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 T8026 [0,1,0,1,0,0|2,0,0]=4 33 B6R0.2 CC(=O)CC([O-])=O T13528 [0,0,0,0,2,0|2,0,0]=4 34 B6R0.2 CC(=O)CC([O-])=O T4854 [0,0,0,0,2,0|2,0,0]=4 35 B6R0.2 CC(C)=CC(O)=O T5305 [0,0,0,0,2,0|1,0,0]=3 36 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,2,0|1,0,1]=4 37 B6R0.2 CC(C)CC(O)=O T5609 [0,0,0,0,2,0|1,0,1]=4 38 B6R0.2 CN(C)CC(O)=O T4120 [0,0,0,0,2,0|2,0,0]=4