0 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.66 NC(=N)SCc1cccs1 T34911 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.66 OC(=O)CCc1c[nH]cn1 T9494 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.12 CNCCc1c[nH]cn1 T23038 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T2A2532 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T32080 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T32735 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.35 N[C@@H](Cc1c[nH]cn1)C(O)=O T4826 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.35 N[C@@H](Cc1cscn1)C(O)=O T20138 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,0,1|1,0,2]=4 13 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,0,1|1,0,2]=4 14 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,0,1|1,0,0]=2 15 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,0,1|2,0,0]=3 16 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,1|2,0,0]=3 17 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.172 CC(=O)NCCc1c[nH]cn1 T19443 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.172 CC(C)=CCCc1ccoc1 T3S2381 [0,0,0,0,0,1|3,0,0]=4 22 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,0,1,0,0,0|1,0,1]=4 23 B10R1.21 CCCCCc1ccco1 TCS0324 [1,1,0,0,0,0|0,0,1]=3 24 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,1|1,0,0]=3 25 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,1,0,0,0,1|1,0,0]=3 30 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,1|1,0,1]=4 38 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.108 COC(=O)[C@@H](N)Cc1c[nH]cn1 T3937 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,0,1,1,0,0|0,0,2]=4 43 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,0,1,1,0,0|0,0,2]=4 44 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|1,0,0]=3 45 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4 46 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,0,0,0,2,0|1,0,1]=4 47 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,2,0|0,1,0]=3 48 B8R1.7 CC(=O)c1nccs1 T8042 [0,0,0,0,2,0|1,1,0]=4 49 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,0,0,0,2,0|2,0,0]=4 50 B8R1.7 OC(=O)c1ccco1 T5544 [0,0,0,0,2,0|1,0,0]=3 51 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,1|2,0,0]=4 52 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,1|2,0,0]=4 53 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,1|2,0,0]=4 54 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,1|1,0,0]=3 55 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,0,0,0,0,2|1,0,0]=3 56 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,0,0,0,0,2|2,0,0]=4 57 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,0,0,0,0,2|2,0,0]=4