0 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 C07155 [0,0,0,0,0,0|0,0,0]=0 1 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,0,0,0|1,0,0]=2 2 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [0,0,1,0,0,0|1,0,0]=2 4 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [0,0,1,0,0,0|1,0,2]=4 5 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [0,0,1,0,0,0|1,0,2]=4 6 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,0,1,0,0,0|2,0,1]=4 8 B10R1.17 CCCCC1=CC=CC=C1 C18150 [0,0,1,0,0,0|1,0,0]=2 9 B10R1.17 COCCC1=NC=CC=C1 C18396 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [0,0,1,0,0,0|1,0,2]=4 11 B10R1.17 NNCCC1=CC=CC=C1 C07430 [0,0,1,0,0,0|1,0,0]=2 12 B10R1.17 NNCCC1=CC=CC=C1 C07431 [0,0,1,0,0,0|1,0,0]=2 13 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.17 O=COCC1=CC=CC=C1 C05613 [0,0,1,0,0,0|2,0,1]=4 15 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [0,0,1,0,0,0|1,0,2]=4 16 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [0,0,1,0,0,0|2,0,1]=4 19 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [0,0,1,0,0,0|1,0,1]=3 20 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [0,0,1,0,0,0|2,0,1]=4 21 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [0,0,1,0,0,0|2,0,1]=4 22 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [0,0,1,0,0,0|0,0,0]=1 24 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [0,0,1,0,0,0|0,0,0]=1 25 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [0,0,1,0,0,0|1,0,1]=3 26 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [0,0,1,0,0,0|2,0,1]=4 28 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [1,0,1,0,0,0|0,0,2]=4 29 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [1,0,1,0,0,0|1,0,1]=4 30 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [1,0,1,0,0,0|0,0,0]=2 31 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [1,0,1,0,0,0|0,0,0]=2 32 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [1,0,1,0,0,0|1,0,0]=3 33 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [1,0,1,0,0,0|1,0,0]=3 35 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [1,0,1,0,0,0|2,0,0]=4 36 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [1,0,1,0,0,0|1,0,1]=4 37 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [1,0,1,0,0,0|1,0,1]=4 38 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [1,0,1,0,0,0|1,0,1]=4 39 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,1,0,0,0|1,0,0]=3 40 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,1,0,0,0|0,0,2]=4 41 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,1,0,0,0|0,0,0]=2 42 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.16 CNCC(O)C1=CC=CC=C1 C03711 [0,1,1,0,0,0|1,0,0]=3 45 B11R1.22 CCC(C)C1=CC=C(O)C=C1 C14139 [0,1,1,0,0,0|1,0,0]=3 46 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [0,1,1,0,0,0|1,0,0]=3 47 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 C02343 [0,1,1,0,0,0|1,0,0]=3 48 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 C08301 [0,1,1,0,0,0|1,0,1]=4 49 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 C08300 [0,1,1,0,0,0|1,0,0]=3 50 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C07911 [0,1,1,0,0,0|1,0,0]=3 51 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C16719 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [0,1,1,0,0,0|1,0,1]=4 53 B11R1.222 CCC(C)C1=CC=CC=C1O C14138 [0,1,1,0,0,0|1,0,0]=3 54 B11R1.1 CCCCC1=CC=C(O)C=C1 C14464 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.1 CNCCC1=CC=C(O)C=C1 C02442 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.1 O=CCCC1=CC=C(O)C=C1 C16706 [0,1,1,0,0,0|1,0,1]=4 57 B11R1.28 O\N=C\CCC1=CC=CC=C1 C17236 [0,1,1,0,0,0|0,0,2]=4 58 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.91 O=C(O)CCC1=CC=CC=C1 C05629 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.157 CC(N)CC1=CC(O)=CC=C1 C11776 [0,1,1,0,0,0|0,0,0]=2 61 B11R1.509 CC(C)(N)CC1=CC=CC=C1 C07438 [0,1,1,0,0,0|0,0,0]=2 62 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 C08037 [0,1,1,0,0,0|2,0,0]=4 63 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 C15419 [0,2,0,0,0,0|1,0,0]=3 64 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,1,1,0,0|0,0,2]=4 65 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,1,1,0,0|2,0,0]=4 66 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [0,0,1,1,0,0|1,0,0]=3 67 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,0,1,1,0,0|1,0,1]=4 68 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,0,1,1,0,0|1,0,1]=4 69 B13R3.28 C1=CC=C2C(=C1)C=C[C@@H]3O[C@H]23 C14786 [0,1,0,1,0,0|2,0,0]=4 70 B13R3.28 C1=CC=C2C(=C1)C=C[C@H]3O[C@@H]23 C14787 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.10 OC1CCC(C2=CC=CN=C2)O1 C19578 [0,0,0,0,0,2|2,0,0]=4