0 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 C19597 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.61 O=C(O)C1=NC=CC=C1O C18620 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [0,0,0,0,0,0|0,0,1]=1 8 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [0,0,0,0,0,0|0,1,1]=2 9 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 C14407 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O C01988 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 NC(=O)C1=CN=CC=N1 C01956 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [1,0,0,0,0,0|1,1,0]=3 26 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [1,0,0,0,0,0|0,0,0]=1 28 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.6 O=C(O)C1=CC=NC=C1 C07446 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 O=C(O)C1=NC=CN=C1 C19915 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 O=C(O)C1C=CCN=C1 C16671 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.6 OB(O)C1=CC=CC=C1 C16200 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.6 [*]N([*])C1=CC=CC=C1 C02401 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.15 CCC1=C(C)C=CC=C1 C14572 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.15 CCC1=CC=CC=C1O C14385 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.15 COC1=C(N)C=CC=C1 C19191 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 COC1=CC=CC=C1I C03575 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 COC1=CC=CC=C1O C01502 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.15 COC1=CC=CC=C1O C15572 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.15 NNC1=C(Cl)C=CC=C1 C11582 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [1,0,0,0,0,0|0,0,0]=1 47 B9R1.15 OCC1=CC=CC=C1O C02323 [1,0,0,0,0,0|0,0,1]=2 48 B11R1.53 CNC1=CC=CC=C1C(=O)O C03005 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.53 COC1=CC=CC=C1[N+](=O)[O-] C19270 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.53 O=C(O)C1=C(NO)C=CC=C1 C16235 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.53 O=C(O)C1=CC=CC=C1CO C10804 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.53 O=CC1=CC=CC=C1C(=O)O C03057 [0,1,0,0,0,0|0,0,1]=2 53 B11R1.87 CC(C)(C)C1=CC=CC=C1O C14130 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.87 NC1=C(S(=O)(=O)O)C=CC=C1 C06333 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.156 CC1=C(C(=O)O)C(O)=CC=C1 C02657 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.156 NC(=O)C1=C(Cl)C=CC=C1Cl C10934 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.156 NC(=S)C1=C(Cl)C=CC=C1Cl C11041 [0,1,0,0,0,0|2,1,0]=4 58 B11R1.156 O=C(O)C1=C(O)C=CC=C1O C21298 [0,1,0,0,0,0|0,0,0]=1 59 B11R1.159 CC(C)C1=CC=CC(O)=C1O C01014 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 C16571 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 C14088 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.159 N=C1C(=O)C=CC=C1C(=O)O C04584 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.159 NC1=C(O)C=CC=C1C(=O)O C00632 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.159 N[C@H]1C(C(=O)O)=CC=C[C@@H]1O C19830 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.159 O=C(O)C1=CC=CC(O)=C1O C00196 [0,1,0,0,0,0|0,0,0]=1 66 B11R1.159 O=C(O)C1=CC=C[C@H](O)[C@H]1O C04171 [0,1,0,0,0,0|0,0,2]=3 67 B11R1.166 CC(=O)C1=CC=C(O)C=C1O C03663 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 C14103 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 C09908 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 C02518 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 C08055 [0,1,0,0,0,0|0,0,1]=2 72 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 C13104 [0,1,0,0,0,0|0,0,2]=3 73 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 C06670 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.166 O=C(O)C1=C(O)N=C(O)C=C1 C15523 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 C03030 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.167 CC1=CC=C(N)C=C1[N+](=O)[O-] C18320 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.167 CN1C=CC(=O)C(C(N)=O)=C1 C05843 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.167 NC1=CC([N+](=O)[O-])=C(N)C=C1 C19385 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.167 NC1=CC=C(O)C([N+](=O)[O-])=C1 C19323 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.167 O=C(O)C1=CC(O)=CC=C1O C00628 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl C18779 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.222 CCC(C)C1=CC=CC=C1O C14138 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 C17512 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.222 COC(=O)C1=CC=CC=C1N C20634 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.222 COC(=O)C1=CC=CC=C1O C12305 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 C11343 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.520 O=C(O)C1(O)C=CC=CC1O C04634 [0,1,0,0,0,0|0,0,2]=3 88 B11R1.520 O=C(O)[C@@]1(O)C=CC=C[C@@H]1O C06321 [0,1,0,0,0,0|0,0,2]=3 89 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,1,0,0|3,0,0]=4 90 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,1,0,0|3,0,0]=4 91 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,0,0,1,0,0|2,0,0]=3 92 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,1,0,0|2,0,0]=3 93 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.41 NC1=C(C(=O)O)N=CN1 C05516 [0,0,0,0,1,0|3,0,0]=4 95 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 C14619 [0,0,0,0,0,1|2,0,0]=3 96 B11R1.86 O=C(O)CC1=CC=CC=C1O C05852 [0,0,0,0,0,1|0,0,0]=1 97 B8R0.2 C=C\C(Cl)=C(/O)C(=O)O C11353 [1,0,1,0,0,0|2,0,0]=4 98 B8R0.8 C\C=C/C=C(/O)C(=O)O C11354 [1,0,1,0,0,0|0,0,1]=3 99 B8R0.8 C\C=C/C=C(\O)C(=O)O C20240 [1,0,1,0,0,0|0,0,1]=3 100 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|1,0,0]=3 101 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|1,0,0]=3 102 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|1,0,0]=3 103 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|1,0,0]=3 104 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,1]=4 108 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|1,0,1]=4 109 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|1,0,1]=4 111 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|0,0,0]=2 113 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|0,0,0]=2 114 B8R1.2 O=CC1=CN=CC=C1 C07327 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.2 O=[C]C1=CC=NC=C1 C21754 [2,0,0,0,0,0|1,0,1]=4 117 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|0,0,1]=3 118 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|0,0,1]=3 119 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.5 CC1=C(C)C=CC=C1 C07212 [2,0,0,0,0,0|1,0,1]=4 121 B8R1.5 CC1=C(N)C=CC=C1 C14403 [2,0,0,0,0,0|1,0,1]=4 122 B8R1.5 CC1=CC=CC=C1O C01542 [2,0,0,0,0,0|0,0,1]=3 123 B8R1.5 ClC1=C(Cl)C=CC=C1 C14328 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.5 N=C1C=CC=CC1=O C17500 [2,0,0,0,0,0|1,0,0]=3 125 B8R1.5 NC1=C(F)C=CC=C1 C11010 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.5 NC1=C(N)C=CC=C1 C14402 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.5 NC1=CC=CC=C1O C01987 [2,0,0,0,0,0|1,0,0]=3 128 B8R1.5 O=C1C=CC=CC1=O C02351 [2,0,0,0,0,0|0,0,1]=3 129 B8R1.5 O=C1C=CNC=C1O C03927 [2,0,0,0,0,0|1,0,0]=3 130 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [2,0,0,0,0,0|1,0,0]=3 131 B8R1.5 OC1=C(O)C=CC=C1 C01785 [2,0,0,0,0,0|0,0,0]=2 132 B8R1.5 OC1=CC=CC=C1Cl C14219 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.5 OC1=CC=CC=C1I C01874 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.5 OC1=CC=CC=C1O C00090 [2,0,0,0,0,0|0,0,0]=2 135 B8R1.5 OC1=CC=CC=C1O C15571 [2,0,0,0,0,0|0,0,0]=2 136 B8R1.5 OC1=CC=NC=C1O C02932 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.5 O[C@@H]1C=CC=C[C@H]1O C04221 [2,0,0,0,0,0|0,0,2]=4 138 B8R1.5 O[C@H]1C=CC=C[C@H]1O C04091 [2,0,0,0,0,0|0,0,2]=4 139 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [2,0,0,0,0,0|0,0,1]=3 140 B10R0.81 O=C\C=C/C(Cl)=C(/O)C(=O)O C16266 [0,1,1,0,0,0|2,0,0]=4 141 B10R0.96 CC(\C=C/C(=O)O)=C\C(=O)O C04112 [0,1,1,0,0,0|2,0,0]=4 142 B10R0.96 O=C(O)\C=C/C(Cl)=C\C(=O)O C03585 [0,1,1,0,0,0|2,0,0]=4 143 B10R0.96 O=C(O)\C=C/C(F)=C\C(=O)O C16474 [0,1,1,0,0,0|2,0,0]=4 144 B10R0.96 O=C(O)\C=C/C(O)=C\C(=O)O C03676 [0,1,1,0,0,0|1,0,0]=3 145 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [1,1,0,0,0,0|0,0,0]=2 149 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 C14394 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.13 N=C(N)C1=CC=C(N)C=C1 C11628 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.13 NC1=CC=C(C(=O)O)C=C1 C00568 [1,1,0,0,0,0|0,0,0]=2 152 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 C02126 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C02370 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.13 O=C(O)C1=CC=C(F)C=C1 C02371 [1,1,0,0,0,0|0,0,0]=2 155 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [1,1,0,0,0,0|0,0,0]=2 156 B10R1.13 O=C(O)C1=CN=C(O)C=C1 C01020 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 C14456 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 C00870 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [1,1,0,0,0,0|0,0,0]=2 161 B10R1.15 N#CC(=O)C1=CC=CC=C1 C21329 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.15 NNC(=O)C1=CC=NC=C1 C07054 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,1,0,0,0,0|0,0,0]=2 168 B10R1.113 CC1=CC([N+](=O)[O-])=CC=C1 C19486 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.113 CC1=CC=CC(C(=O)O)=C1 C07211 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 C01004 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 C02918 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.113 NC1C=CC=C(C(=O)O)C1 C12110 [1,1,0,0,0,0|0,0,2]=4 174 B10R1.113 O=C(O)C1=CC(O)=CC=C1 C00587 [1,1,0,0,0,0|0,0,0]=2 175 B10R1.113 O=C(O)C1=CC=CC(F)=C1 C02364 [1,1,0,0,0,0|0,0,0]=2 176 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 C19364 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 C14418 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.2 C=CC1=CC=CC(O)=C1O C07085 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.2 COC1=CC=CC(I)=C1O C12251 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 C07400 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.30 O=CC1=C(O)C=CC(O)=C1 C05585 [1,1,0,0,0,0|0,0,0]=2 184 B10R1.30 OCC1=CC(O)=CC=C1O C10792 [1,1,0,0,0,0|0,0,1]=3 185 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O C21155 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 C00544 [0,1,0,0,0,1|0,0,0]=2 187 B12R1.1009 O=C(O)CC1=C(O)C=CC=C1O C06207 [0,1,0,0,0,1|0,0,0]=2 188 B12R1.76 N#[N+]C1=C(S(=O)(=O)O)C=CC=C1 C13689 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 C16234 [0,2,0,0,0,0|0,0,1]=3 190 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O C01606 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O C03722 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.261 O=C(O)C1C=CC=CC1C(=O)O C16215 [0,2,0,0,0,0|0,0,2]=4 193 B12R1.283 O=CNC1=CC=CC=C1C(=O)O C05653 [0,2,0,0,0,0|0,0,1]=3 194 B12R1.228 O=S(=O)(O)C1=CC=CC(O)=C1O C06336 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.894 O=C(O)C1=C(Cl)C=CC(Cl)=C1Cl C18767 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.1000 CC1=C(C(=O)O)C(O)=CC(O)=C1 C01839 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.1000 [*]C(=O)C1=C(O)C=C(O)C=C1O C21498 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.1018 CC1=CC=CC(O)C1(O)C(=O)O C06731 [0,2,0,0,0,0|0,0,2]=4 199 B12R1.1018 O=C(O)[C@@]1(O)C(F)=CC=C[C@@H]1O C16481 [0,2,0,0,0,0|0,0,2]=4 200 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 C05831 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1O C14096 [0,2,0,0,0,0|0,0,0]=2 202 B12R1.511 NC1=C(Cl)C(C(=O)O)=CC(Cl)=C1 C19056 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.511 NC1=C(O)C=C(O)C=C1C(=O)O C11465 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1O C03986 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.2864 CC1=CC=C[C@](O)(C(=O)O)[C@H]1O C06720 [0,2,0,0,0,0|0,0,2]=4 206 B12R1.2864 O=C(O)[C@@]1(O)C=CC=C(F)[C@@H]1O C16478 [0,2,0,0,0,0|0,0,2]=4 207 B12R1.452 COC1=CC=C(C(=O)O)C(O)=C1 C18346 [0,2,0,0,0,0|0,0,0]=2 208 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 C10712 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.452 O=C(O)C1=CC=C(CO)C=C1O C14109 [0,2,0,0,0,0|0,0,0]=2 210 B12R1.452 O=CC1=CC=C(C(=O)O)C(O)=C1 C14100 [0,2,0,0,0,0|0,0,0]=2 211 B12R1.911 CC1=CC(O)C(O)(C(=O)O)C=C1 C06729 [0,2,0,0,0,0|0,0,2]=4 212 B12R1.911 O=C(O)[C@@]1(O)C=CC(F)=C[C@@H]1O C16480 [0,2,0,0,0,0|0,0,2]=4 213 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O C14170 [0,2,0,0,0,0|0,0,0]=2 214 B12R1.1281 O=C(O)[C@]1(O)C=C(F)C=C[C@H]1O C16479 [0,2,0,0,0,0|0,0,2]=4 215 B12R1.3099 O=C(O)[C@@]1(O)C=CC=C[C@@]1(O)F C16482 [0,2,0,0,0,0|0,0,2]=4 216 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [0,0,1,1,0,0|1,0,1]=4 217 B10R1.66 O=C(O)\C=C\C1=CNC=N1 C00785 [0,0,1,1,0,0|2,0,0]=4 218 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 C04431 [0,0,1,1,0,0|1,0,0]=3 219 B10R1.54 O=C(O)\C=C1\C=CC(=O)O1 C12838 [0,0,1,1,0,0|1,0,0]=3 220 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|1,0,1]=4 221 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|1,0,1]=4 222 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|2,0,0]=4 223 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,1,0,0|1,0,0]=3 224 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,0,0,1,0,1|2,0,0]=4 225 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,0,0,1,0,1|2,0,0]=4 226 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,0,0,1,0,1|1,0,0]=3 227 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,0,0,1,0,1|2,0,0]=4 228 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,0,0,1,0,1|2,0,0]=4 229 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,0,0,1,0,1|2,0,0]=4 230 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 C06324 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 C14473 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.1081 O=C1OCCC2=C1C=NC=C2 C09957 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 C11714 [0,1,0,1,0,0|2,0,0]=4 234 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 C06343 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 C02796 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,1,0,1,0,0|1,0,1]=4 239 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [0,1,0,1,0,0|1,0,1]=4 240 B12R2.18 OC1=C(O)C2=CC=CC=C2N1 C02775 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.7 O=C(O)C1=CC=CN1 C05942 [1,0,0,0,1,0|1,0,0]=3 242 B8R1.7 O=C(O)C1=CC=CO1 C01546 [1,0,0,0,1,0|1,0,0]=3 243 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [0,0,0,0,0,2|0,0,0]=2 244 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [0,0,0,0,0,2|0,0,0]=2 245 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [0,0,0,0,0,2|0,0,0]=2