0 B9R1.2 CC1=CC=CC(C=O)=C1 C07209 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.2 CC1=CC=CC(CO)=C1 C07216 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.2 CCC1=CC(O)=CC=C1 C14386 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.2 CCC1=CC=CC(C)=C1 C14522 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.2 O=CC1=CC=CC(O)=C1 C03067 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.2 OCC1=CC=CC(O)=C1 C03351 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 ONC1=CC(O)=CC=C1 C14602 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|0,0,2]=3 9 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.157 CC(N)CC1=CC(O)=CC=C1 C11776 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 C05593 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 C17755 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.192 NCCC1=CC=C(O)C(O)=C1 C03758 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 C04043 [0,1,0,0,0,0|2,0,1]=4 17 B11R2.36 OC1=CC2=C(C=C1)NC=N2 C21764 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.36 OC1=CC=C2OCOC2=C1 C10832 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.7 CC1=NC(CCN)=CN1 C17928 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.7 CN1C=NC(CCN)=C1 C05127 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.33 CC1=C(CCN)N=CN1 C17929 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,2]=4 23 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,2]=4 24 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,2]=4 25 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,2]=4 26 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 27 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|0,0,2]=4 31 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|0,0,0]=2 33 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|1,0,1]=4 36 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 CC1=CC(O)=CC=C1 C01467 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.4 CC1=CC=CC(C)=C1 C07208 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.4 ClC1=CC=CC(Cl)=C1 C19397 [2,0,0,0,0,0|1,1,0]=4 44 B8R1.4 NC1=CC(F)=CC=C1 C11013 [2,0,0,0,0,0|0,1,0]=3 45 B8R1.4 NC1=CC(O)=CC=C1 C05058 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.4 NC1=CC=CC(N)=C1 C02454 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.4 OC1=CC=CC(Cl)=C1 C14270 [2,0,0,0,0,0|1,1,0]=4 48 B8R1.4 OC1=CC=CC(O)=C1 C01751 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.2 CCC1=C(O)C(=O)C=CO1 C20362 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.2 COC1=CC=CC(I)=C1O C12251 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.30 OCC1=CC(O)=CC=C1O C10792 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [1,1,0,0,0,0|0,1,1]=4 54 B10R1.172 COC1=CC(CO)=CC=C1 C03352 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.176 COC1=CC(C)=C(N)C=C1 C19376 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.176 OCC1=CC=C(O)C(O)=C1 C14110 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|0,0,2]=4 61 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.17 COCCC1=NC=CC=C1 C18396 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 C07441 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 C07146 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 C00547 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 C05576 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 C11457 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.385 CNCCC1=CC=C(O)C(O)=C1 C07453 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.286 COC1=CC(CCN)=CC=C1O C05587 [0,2,0,0,0,0|1,0,0]=3 95 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|1,0,0]=3 96 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|1,0,0]=3 97 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|0,0,2]=4 98 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.24 OC1=CC=C2CCCCC2=C1 C14309 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.100 OC1=C(O)C=C2NCCC2=C1 C17756 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.8 NCCC1=CNC=N1 C00388 [1,0,0,0,1,0|2,0,0]=4 102 B8R1.8 NCCC1=NC=CS1 C17927 [1,0,0,0,1,0|2,0,0]=4