0 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 A50645 [1,0,0,0,0,0|1,0,2]=4 1 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 78548 [1,0,0,0,0,0|0,0,2]=3 2 B14R1.42 COC1=C(O)C=CC(\C=C/[N+](=O)[O-])=C1 62434 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 41707 [1,0,0,0,0,0|1,0,0]=2 4 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 AC7905 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)[O-])=C1 41757 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 AC8555 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.75 COC1=CC=CC(O[C@@H](C)C(=O)O)=C1 29969 [1,0,0,0,0,0|2,0,1]=4 8 B14R1.41 COC1=C(O)C=CC([C@@H](O)C(=O)O)=C1 D90829 [0,0,0,0,1,0|2,0,1]=4 9 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 42364 [2,0,0,0,0,0|1,0,0]=3 10 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 D93191 [2,0,0,0,0,0|0,0,2]=4 11 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 A10219 [2,0,0,0,0,0|1,0,0]=3 12 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 64754 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 35759 [2,0,0,0,0,0|1,0,1]=4 14 B13R1.52 COC1=C(O)C=CC(CC(C)=O)=C1 C13334 [2,0,0,0,0,0|0,0,1]=3 15 B15R1.4039 COC(=O)\C=C\C1=CC(OC)=C(O)C=C1 O11884 [1,1,0,0,0,0|0,0,0]=2 16 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)Cl)C=C1 D94942 [1,1,0,0,0,0|1,0,0]=3 17 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 28422 [1,1,0,0,0,0|1,0,0]=3 18 B15R1.676 N#C\C(=C/C1=CC(O)=C(O)C=C1)C(N)=O D80750 [1,1,0,0,0,0|1,0,1]=4 19 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 S11734 [1,0,0,1,0,0|0,0,2]=4 20 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCO2 S11884 [1,0,0,1,0,0|1,0,0]=3 21 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 33344 [1,0,0,1,0,0|2,0,0]=4 22 B15R2.4834 COC1=CC2=C(C=C1)OC(C(=O)O)=C2 95739 [1,0,0,1,0,0|2,0,0]=4 23 B15R2.20824 COC1=CC=CC2=C1OC(C(=O)O)=C2 28399 [1,0,0,1,0,0|2,0,0]=4 24 B15R2.4343 C[C@H](C=O)CC1=CC2=C(C=C1)OCO2 D70501 [1,0,0,1,0,0|0,0,2]=4 25 B17R2.1733 COC1=CC2=C(C=C1OC)NC(C(=O)O)=C2 D86899 [0,1,0,1,0,0|2,0,0]=4 26 B17R2.1733 COC1=CC2=C(C=C1OC)SC(C(=O)O)=C2 D82208 [0,1,0,1,0,0|2,0,0]=4 27 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 23010 [1,0,0,0,1,0|2,0,0]=4