0 B13R1.510 CC(C)C(=O)C1=CC=C(O)C(O)=C1 C15475 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.510 CC(N)C(O)C1=CC(O)=C(O)C=C1 C17925 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.510 C[C@H](N)[C@H](O)C1=CC=C(O)C(O)=C1 C11768 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.510 O=C(O)C(O)C1=CC=C(O)C(O)=C1 C05580 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 C01161 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 C11527 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(O)C=C1 C03198 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 C05343 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 C07146 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.367 N#CC(O)C1=CC=C(O)C(O)=C1 C03757 [1,0,0,0,0,0|0,0,2]=3 10 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 C00547 [1,0,0,0,0,0|0,0,0]=1 11 B12R1.367 O=CC(O)C1=CC(O)=C(O)C=C1 C05577 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 C05576 [1,0,0,0,0,0|1,0,0]=2 13 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O C05584 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.686 O=C(O)C(O)CC1=CC=C(O)C(O)=C1 C01207 [0,0,0,0,0,1|2,0,1]=4 15 B11R1.157 CC(N)CC1=CC(O)=CC=C1 C11776 [2,0,0,0,0,0|0,0,0]=2 16 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 C17755 [2,0,0,0,0,0|0,0,2]=4 17 B11R1.192 NCCC1=CC=C(O)C(O)=C1 C03758 [2,0,0,0,0,0|0,0,0]=2 18 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 C04043 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 C13342 [2,0,0,0,0,0|0,0,2]=4 20 B11R1.22 CCC(C)C1=CC=C(O)C=C1 C14139 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 C00650 [2,0,0,0,0,0|0,0,2]=4 22 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 C03742 [2,0,0,0,0,0|0,0,2]=4 23 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [2,0,0,0,0,0|0,0,0]=2 24 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 C02343 [2,0,0,0,0,0|0,0,0]=2 25 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 C08301 [2,0,0,0,0,0|0,0,2]=4 26 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 C08300 [2,0,0,0,0,0|0,0,0]=2 27 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C07911 [2,0,0,0,0,0|0,0,0]=2 28 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C16719 [2,0,0,0,0,0|0,0,0]=2 29 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 C10675 [2,0,0,0,0,0|0,0,2]=4 31 B11R1.21 CC1=CC=C(C(C)C)C=C1O C09840 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 C00230 [2,0,0,0,0,0|1,0,1]=4 33 B13R1.49 COC1=CC(C(O)C=O)=CC=C1O C05583 [1,1,0,0,0,0|1,0,1]=4 34 B13R1.49 COC1=CC(C(O)CO)=CC=C1O C05594 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.49 COC1=CC([C@@H](O)CN)=CC=C1O C05589 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 C00788 [1,1,0,0,0,0|0,0,0]=2 37 B13R1.466 [*]NCC([*])C1=CC=C(O)C(O)=C1 C02012 [1,1,0,0,0,0|1,0,0]=3 38 B15R1.889 CC(C)NCC(O)C1=CC=C(O)C(O)=C1 C07056 [0,0,0,0,0,2|1,0,0]=3 39 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(O)C(O)=C1 C11703 [0,0,0,0,0,2|1,0,0]=3