0 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 O=C(O)CCc1ccccc1 T3731 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O T5683 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.713 NCC(CC(=O)O)c1ccccc1 T2990 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.713 [C@H](CN)(CC(=O)O)c1ccccc1 T8639 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 T22398 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,0,0,0,1,0|1,0,2]=4 12 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,0,0,0,1,0|2,0,1]=4 13 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,0,0,0,1,0|2,0,0]=3 15 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|1,0,0]=3 18 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|2,0,0]=4 19 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.125 O=C(O)CCc1ccccc1O T4892 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(O)=C1 T23259 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.225 O=C(O)C(O)c1cccc(O)c1 T7634 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,1,0,0,1,0|1,0,0]=3 36 B14R1.1019 NCC(CC(=O)O)c1ccc(Cl)cc1 T1065 [0,2,0,0,0,0|2,0,0]=4 37 B14R1.1019 NC[C@H](CC(=O)O)c1ccc(Cl)cc1 T17306 [0,2,0,0,0,0|2,0,0]=4 38 B14R1.1019 NC[C@H](CC(=O)O)c1ccc(Cl)cc1 T6355 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.1019 [C@@H](CN)(CC(=O)O)c1ccc(Cl)cc1 T8630 [0,2,0,0,0,0|2,0,0]=4 40 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|1,0,0]=3 41 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,0,0,1,1,0|1,0,0]=3 43 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 T16239 [0,1,0,1,0,0|1,0,1]=4 44 B14R2.4514 CN1C(=O)CC[C@H]1c2cccnc2 T1202 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|0,0,0]=2 46 B10R1.18 O=C(O)Cc1cccnc1 T1366 [1,0,0,0,1,0|2,0,0]=4 47 B10R1.66 CC(=O)OCc1ccco1 T8088 [1,0,0,0,1,0|1,0,0]=3 48 B12R1.252 O=C(O)CCCc1ccccc1 T5886 [1,0,0,0,0,1|2,0,0]=4 49 B12R1.252 O=C([O-])CCCc1ccccc1 T1535 [1,0,0,0,0,1|2,0,0]=4 50 B14R1.423 NC(=O)OC[C@H](N)Cc1ccccc1 T7583 [0,0,0,0,0,2|2,0,0]=4