0 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [1,0,0,0,0,0|1,0,0]=2 1 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.15 CCC1=C(C)C=CC=C1 C14572 [1,0,0,0,0,0|0,0,2]=3 3 B9R1.15 CCC1=CC=CC=C1O C14385 [1,0,0,0,0,0|0,0,2]=3 4 B9R1.15 COC1=C(N)C=CC=C1 C19191 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.15 COC1=CC=CC=C1I C03575 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.15 COC1=CC=CC=C1O C01502 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.15 COC1=CC=CC=C1O C15572 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.15 NNC1=C(Cl)C=CC=C1 C11582 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.15 OCC1=CC=CC=C1O C02323 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.41 O=CNC1=C(C=O)C=CC=C1 C03574 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.53 CNC1=CC=CC=C1C(=O)O C03005 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.53 COC1=CC=CC=C1[N+](=O)[O-] C19270 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.53 O=C(O)C1=C(NO)C=CC=C1 C16235 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.53 O=C(O)C1=CC=CC=C1CO C10804 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.53 O=CC1=CC=CC=C1C(=O)O C03057 [0,1,0,0,0,0|3,0,0]=4 17 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,0,0,1,0,0|2,0,0]=3 20 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,0,1,0,0|2,0,1]=4 22 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 C00829 [0,0,0,1,0,0|1,0,1]=3 23 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 C06323 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 C06413 [0,0,0,1,0,0|1,0,1]=3 25 B11R2.20 C1=CC2=NC=CN=C2C=C1 C18575 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,0]=2 28 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,0]=2 29 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,0]=2 31 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|1,0,1]=4 36 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.2 O=CC1=CN=CC=C1 C07327 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.5 CC1=C(C)C=CC=C1 C07212 [2,0,0,0,0,0|0,0,1]=3 47 B8R1.5 CC1=C(N)C=CC=C1 C14403 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.5 CC1=CC=CC=C1O C01542 [2,0,0,0,0,0|0,0,1]=3 49 B8R1.5 ClC1=C(Cl)C=CC=C1 C14328 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 N=C1C=CC=CC1=O C17500 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.5 NC1=C(F)C=CC=C1 C11010 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 NC1=C(N)C=CC=C1 C14402 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.5 NC1=CC=CC=C1O C01987 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.5 O=C1C=CC=CC1=O C02351 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.5 O=C1C=CNC=C1O C03927 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.5 OC1=C(O)C=CC=C1 C01785 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.5 OC1=CC=CC=C1Cl C14219 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.5 OC1=CC=CC=C1I C01874 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.5 OC1=CC=CC=C1O C00090 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.5 OC1=CC=CC=C1O C15571 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.5 OC1=CC=NC=C1O C02932 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.2 C=CC1=CC=CC(O)=C1O C07085 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.2 C=CC1=CC=CC(O)C1O C07084 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.2 COC1=CC=CC(I)=C1O C12251 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 C07400 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.25 COC1=C(N)C=C(C)C=C1 C19216 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.25 COC1=C(N)C=C(N)C=C1 C19218 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.30 O=CC1=C(O)C=CC(O)=C1 C05585 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.30 OCC1=CC(O)=CC=C1O C10792 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 C19597 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.61 O=C(O)C1=NC=CC=C1O C18620 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [1,1,0,0,0,0|1,1,0]=4 84 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O C01988 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 C02201 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.78 COC1=C(OC)C=C(CO)C=C1 C21420 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.78 COC1=C(OC)C=C(C[O])C=C1 C21421 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [0,0,1,1,0,0|1,0,0]=3 90 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.172 COC1=CC(CO)=CC=C1 C03352 [0,0,1,1,0,0|1,0,1]=4 92 B10R1.176 COC1=CC(C)=C(N)C=C1 C19376 [0,0,1,1,0,0|1,0,1]=4 93 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|1,0,0]=3 94 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|2,0,0]=4 95 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,1,0,0|0,0,0]=2 96 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,1,0,1,0,0|1,0,0]=3 97 B12R2.24 NC1=CC=C2C=CC=CC2=C1 C02227 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,1,0,1,0,0|0,0,1]=3 100 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 C02796 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.18 CC1C(=O)NC2=CC=CC=C21 C02366 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 C14082 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.1081 NC1=CC=CC2=CC=CC=C12 C14790 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 C06324 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C18478 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C19434 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 C11714 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 C06343 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.1081 [O-]C1=CC=CC2=C1N=CC=C2 C18879 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,1,0,1,0,0|2,0,0]=4