0 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.202 NC(Cc1ccccc1O)C(=O)O T1695 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,0,0,0,1,0|1,0,0]=2 13 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,0,0,0,1,0|1,0,0]=2 14 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [2,0,0,0,0,0|0,0,2]=4 15 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 17 B10R1.18 O=C(O)Cc1ccccc1 T4935 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|1,0,0]=3 20 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 BBP03225 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 BBP01811 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|0,0,0]=2 23 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [1,1,0,0,0,0|0,0,2]=4 24 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.125 O=C(O)CCc1ccccc1O T4892 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.104 Cn1cnc(C[C@H](N)C(=O)O)c1 T4934 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.132 O=C(O)C(O)C(O)C1=CC=C(O)C=C1 BBP00184 [0,2,0,0,0,0|1,0,0]=3 29 B14R1.134 COC(=O)C(O)CC1=CC=C(O)C=C1 BBP03339 [0,2,0,0,0,0|1,0,0]=3 30 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [0,2,0,0,0,0|0,0,0]=2 31 B14R1.686 N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O T6569 [0,2,0,0,0,0|1,0,0]=3 32 B14R1.686 O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [0,2,0,0,0,0|1,0,0]=3 33 B14R1.686 O=C([O-])C(O)CC1=CC(O)=C(O)C=C1 BBP04021 [0,2,0,0,0,0|1,0,1]=4 34 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 T2944 [0,2,0,0,0,0|1,0,1]=4