0 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.509 FS(=O)(=O)Cc1ccccc1 T0789 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,0|1,1,1]=4 5 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.106 CC(C)(N)Cc1ccc(Cl)cc1 T30901 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.151 CC(C)(N)Cc1ccccc1Cl T30986 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.564 CC(C)(C)C(=O)c1ccccc1 T20369 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,0]=3 15 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.8 NCCc1ccccn1 T22501 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.8 O/N=C/c1ccccc1 T20350 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|0,0,2]=4 21 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,1,0,0,0,0|0,0,1]=3 25 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [1,1,0,0,0,0|0,0,0]=2 26 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.155 CC(C)(O)c1cccc(Cl)c1 T30359 [0,1,0,0,1,0|0,0,0]=2 38 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 T20498 [0,1,0,0,0,1|1,0,1]=4 39 B13R1.353 CC(C)(C)[N+](/[O-])=C/c1ccccc1 T23046 [0,1,0,0,0,1|1,0,1]=4 40 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O TN7064 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.838 C[N+](C)(C)CCc1cccc(O)c1 T32647 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.275 CC[N+](C)(C)Cc1ccccc1Br T7386 [0,2,0,0,0,0|2,0,0]=4 43 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|1,0,0]=3 44 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|1,0,0]=3 45 B13R2.103 CC1(CN)Cc2ccccc2C1 T50063 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,1,0|0,0,2]=4 47 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,1,0|0,0,0]=2 48 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,1,0|1,0,1]=4 50 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,1,0|2,0,0]=4 51 B9R1.19 CC(C)(C)c1cccs1 T29375 [0,0,0,0,2,0|2,0,0]=4 52 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,1|0,0,2]=4 53 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,1|0,0,2]=4 54 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,1|0,0,2]=4 55 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,1|0,0,2]=4 56 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,1|1,0,1]=4 57 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,1|1,0,1]=4