0 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 C06577 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.3 CC(C)C1=CC=C(CO)C=C1 C06576 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 C19680 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CN(C)C1=CC=C(NO)C=C1 C19681 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CN(C)C1=CC=C([N+]#N)C=C1 C13681 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 CCC1=CC=C(CC)C=C1 C14583 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.3 COC1=CC=C(C=O)C=C1 C10761 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.3 NNC1=CC=C(CO)C=C1 C03994 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 C=C1C=CC(C(C)C)CC1 C19818 [1,0,0,0,0,0|0,0,3]=4 9 B10R1.13 C=C1C=C[C@@H](C(C)C)CC1 C11392 [1,0,0,0,0,0|0,0,3]=4 10 B10R1.13 C=C1C=C[C@H](C(C)C)CC1 C09877 [1,0,0,0,0,0|0,0,3]=4 11 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [1,0,0,0,0,0|0,0,1]=2 16 B10R1.13 CC1=CC=C(C(C)C)CC1 C09898 [1,0,0,0,0,0|0,0,3]=4 17 B10R1.13 CC1=CCC(C(C)C)=CC1 C09900 [1,0,0,0,0,0|0,0,3]=4 18 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 C11391 [1,0,0,0,0,0|0,0,3]=4 19 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 C09875 [1,0,0,0,0,0|0,0,3]=4 20 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.5 CN(N=O)C1=CC=C(N=O)C=C1 C19452 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 C06679 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 C02803 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 C06578 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 C06337 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 C18625 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.452 O=CC1=CC=C(C(=O)O)C(O)=C1 C14100 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.82 C=C(C\C=C(/C)C=O)C(C)C C11942 [0,0,1,0,0,0|0,0,2]=3 29 B10R0.82 C=C(C\C=C(\C)C=O)C(C)C C04435 [0,0,1,0,0,0|0,0,2]=3 30 B10R1.31 O=CC1=CC=C(C(O)O)O1 C20900 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.1 C=CC1=CC=C(O)C=C1 C05627 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [2,0,0,0,0,0|0,0,2]=4 34 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [2,0,0,0,0,0|0,0,1]=3 35 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.1 COC1=CC=C(N)C=C1 C19326 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 O=CC1=CC=C(Cl)C=C1 C06648 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.1 O=CC1=CC=C(O)C=C1 C00633 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [2,0,0,0,0,0|0,0,2]=4 41 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [2,0,0,0,0,0|0,0,0]=2 43 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [2,0,0,0,0,0|2,0,0]=4 48 B11R0.150 C=C(C\C=C(/C)C(=O)O)C(C)C C11943 [0,1,1,0,0,0|0,0,2]=4 49 B11R0.150 C=C(C\C=C(\C)C(=O)O)C(C)C C11944 [0,1,1,0,0,0|0,0,2]=4 50 B11R1.83 C=CCC1=CC=C(OC)C=C1 C10452 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 C10428 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.279 O=CC1=CC=C(CO)C=C1O C14108 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 C14200 [1,1,0,0,0,0|0,0,1]=3 54 B11R1.21 CC1=CC=C(C(C)C)C=C1O C09840 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.22 CCC(C)C1=CC=C(O)C=C1 C14139 [1,1,0,0,0,0|0,0,1]=3 56 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.166 CC1=C(C(C)C)C=CC(O)=C1 C14741 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 C09908 [1,1,0,0,0,0|0,0,1]=3 59 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 C14535 [0,2,0,0,0,0|0,0,0]=2 60 B11R1.159 CC(C)C1=CC=CC(O)=C1O C01014 [0,0,1,1,0,0|1,0,1]=4 61 B9R1.21 O=CC1=CC=C(CO)O1 C11101 [1,0,0,0,1,0|2,0,0]=4