0 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 CC(=O)N1C=COC1=O C16070 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 CC(C)C1=NC=CN1C 63235 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.41 CC1=CON=C1C(N)=O 95085 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.41 CN1C=CN=C1C(=O)Cl AT15683 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.41 CN1N=CN=C1C(=O)O AT21353 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.41 C[C@H](Br)C1=CN=NN1C 92413 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.41 C[C@H](N)C1=CC=NN1C AT14324 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.41 C[C@H](N)C1=CN=CN1C AT15465 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.41 C[C@H](N)C1=NC=CN1C AT22196 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.41 C[C@H](N)C1=NC=NN1C AT12447 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.41 C[C@H](N)C1=NC=NN1C AT12448 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.41 C[C@H](N)C1=NN=CN1C AT12335 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.41 C[C@H](O)C1=NC=NN1C AT21824 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.41 NC(=O)C1=C(F)C=CS1 92876 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.7 C=C(C)C1=NC=CS1 T71747 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.7 N=C(N)C1=CC=CN1 F18689 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 N=C(N)C1=NC=CN1 38079 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 N=C(N)C1=NC=CN1 P15498 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 NC(=S)C1=CC=CO1 F11945 [1,0,0,0,0,0|2,1,0]=4 48 B8R1.7 NC(=S)C1=CC=NN1 D79737 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.11 CN1C=CN=C1CBr AT15680 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.11 CN1C=CN=C1CN AT15625 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.11 CN1C=NC=C1CBr O11296 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.11 CN1C=NC=C1CCl 94781 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.11 CN1N=CC=C1CBr AT15925 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.11 CNC1=CC=NN1C AT14117 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.11 CNC1=CN=CN1C 98139 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.11 CNC1=NC=CN1C AT15602 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.11 CNC1=NN=CN1C AT21331 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.11 COC1=C(C)C=CS1 91670 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.11 NC1=C(C=O)SC=C1 O10948 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.11 O=CC1=CNC=C1Br AT16220 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.11 O=CC1=CSC=C1Cl AT16877 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.39 CCC1=C(C(=O)O)C=CO1 AT17500 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.39 CCC1=C(C(=O)O)SC=C1 AT16411 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.39 CCN1C=CN=C1C(=O)[O-] AT15614 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.39 CSC1=C(C(=O)O)SC=C1 AT16424 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 F18115 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.59 CC(=O)C1=CC(N)=CN1C 97921 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.59 CC(=O)C1=NN(C)C=C1C AT13574 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.59 NC(=O)C1=CC(Br)=CN1N P13138 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.65 CN1C=CC=C1S(=O)(=O)F AT16173 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.65 CN1C=NC=C1S(=O)(=O)Cl AT11035 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.149 CN1C=CN=C1[C@@H](O)CN F20265 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.149 COC(=O)C1=C(C)C=NN1 D86990 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.149 COC(=O)C1=C(F)C=CN1 91532 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.149 COC(=O)C1=C(N)C=CN1 D86691 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.149 COC(=O)C1=CSC=C1C 57777 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.149 COC(=O)C1=NN=CN1C W17759 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.192 CC(=O)C1=C(C)NN=C1C 71180 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.192 CC(=O)C1=C(C)ON=C1C 91324 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 P10547 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.192 CC1=C([N+](=O)[O-])N(C)N=C1 F12389 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.192 CC1=COC(C)=C1C(=O)O AT17497 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.192 CC1=CSC(C)=C1C(=O)O 93333 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.192 CC1=CSC(N)=C1C(=O)O 97717 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.192 CN1N=CC(N)=C1C(=O)O F13673 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.192 CN1N=CC(N)=C1C(N)=O 54579 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 71437 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.194 CC1=NN=C(C(=O)[O-])N1C AT21351 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.194 CN1C(C(=O)O)=CN=C1Br 91202 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.194 CN1C(C(=O)O)=CN=C1Cl AT20498 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.194 CN1C(F)=CN=C1C(=O)O 50288 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.194 CN1C(F)=CN=C1C(N)=O 50301 [0,1,0,0,0,0|2,0,0]=3 105 B10R2.32 O=C1CCC2=C1C=NN2 D85467 [0,0,0,1,0,0|3,0,0]=4 106 B10R2.32 O=C1CCC2=CNC=C12 F12460 [0,0,0,1,0,0|2,0,0]=3 107 B10R2.32 O=C1CCN2C=NC=C12 C13949 [0,0,0,1,0,0|1,0,0]=2 108 B10R2.32 O=C1NCC2=C1SC=C2 84280 [0,0,0,1,0,0|3,0,0]=4 109 B10R2.32 O=C1NCC2=CC=CN12 F52206 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,0,0,0,0,1|1,0,0]=2 112 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,0,0,0,0,1|1,0,0]=2 113 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,0,0,0,0,1|2,0,0]=3 114 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,0,0,0,0,1|2,0,1]=4 120 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.64 CN1C=CN=C1CC(=O)O AT15757 [0,0,0,0,0,1|2,0,0]=3 127 B10R1.64 CN1C=NC=C1CC(=O)O AT15592 [0,0,0,0,0,1|2,0,0]=3 128 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,0,0,0,0,1|2,0,0]=3 132 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,0,0,0,0,1|2,0,1]=4 134 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,0,0,0,0,1|3,0,0]=4 139 B7R1.1 OCC1=CC=CN1 AT16114 [2,0,0,0,0,0|0,0,2]=4 140 B7R1.4 CN1C=NNC1=O AT21258 [2,0,0,0,0,0|2,0,0]=4 141 B7R1.4 CN1N=CC=C1Cl AT15843 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.4 CN1N=CNC1=O AT21264 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [1,1,0,0,0,0|1,0,1]=4 145 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [1,1,0,0,0,0|0,0,2]=4 146 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [1,1,0,0,0,0|1,0,1]=4 147 B9R1.11 NNC(=O)C1=CC=NN1 P10142 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.11 O=C(CCl)C1=CC=NS1 AT21156 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.19 CS(=O)(=O)C1=NC=CN1 AC1454 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [1,1,0,0,0,0|0,0,0]=2 158 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [1,1,0,0,0,0|1,0,0]=3 159 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [1,1,0,0,0,0|1,0,0]=3 161 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [1,1,0,0,0,0|1,0,0]=3 167 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [1,1,0,0,0,0|1,0,0]=3 168 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.14 CCN1C=CC=C1C#N C91267 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.22 CN1C=C(Br)C=C1C#N C91265 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.22 CN1C=C(Br)C=C1C=O AT16228 [1,1,0,0,0,0|0,0,0]=2 173 B9R1.22 CN1C=C(Br)C=C1CN AT16230 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.22 CN1C=C(Br)C=C1CN AT16241 [1,1,0,0,0,0|1,0,1]=4 175 B9R1.22 CN1C=C(N)C=C1C#N 97917 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.22 CNC1=CC(C)=NN1C 71734 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.22 COC1=CC(N)=NN1C AT14065 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.27 CC1=C(C=O)N(C)N=C1 AT14270 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.27 CC1=CSC(C)=C1C=O 93335 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.27 CN1C=NC(Br)=C1C=O P10191 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.27 CN1N=CC(Cl)=C1C=O AT14298 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.33 CN1C=CN=C1CCN AT24187 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.33 CN1N=CC=C1CCO AT15967 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.33 CNCC1=CN=CN1C AT15467 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.33 CNCC1=NC=CN1C AT15623 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.132 CC1=CC=C(CN)N1C P10224 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.132 CC1=CN=C(C=O)N1C AT15705 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.132 CC1=NN=C(C=O)N1C AT12570 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.132 CN1C(C=O)=CN=C1Cl AT15676 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.132 CN1C(Cl)=CC=C1C=O AT16174 [1,1,0,0,0,0|0,0,0]=2 192 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [0,1,0,0,0,1|1,0,0]=3 193 B11R1.53 COC1=C(C(N)=O)C=CC=N1 D87306 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.53 COC1=CC=CN=C1C(N)=O D87880 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.53 CSC1=C(C(=O)O)N=CC=C1 AT16224 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.53 O=C(O)C1=NC=CC=C1CO D77137 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.53 O=C([O-])C1=NC=CC=C1CO AT20000 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N C75622 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.156 CC(=O)C1=C(Br)C=CN=C1Cl 55294 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.156 CC1=CC=CC(Br)=C1C(N)=O F13400 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.156 CC1=CN=CC(Br)=C1C(=O)O 51801 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.156 CC1=CN=CC(N)=C1C(=O)O W11192 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [0,1,0,0,0,1|1,0,0]=3 206 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [0,1,0,0,0,1|1,0,0]=3 207 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=C1 AT26683 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,1,0,0,0,1|1,0,0]=3 218 B11R1.166 CC(=O)C1=CNC(=O)N=C1C S10254 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1F AT18807 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1N 92761 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,1,0,0,0,1|1,0,0]=3 232 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,1,0,0,0,1|1,0,0]=3 241 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [0,1,0,0,0,1|1,0,0]=3 244 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.222 O=C(CBr)C1=C(Cl)C=NC=C1 D88108 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.222 O=C(CBr)C1=NC=CC=C1F F13389 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.21 CN1C=C([N+](=O)[O-])C=CC1=O 30774 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,1,0,0,0,1|1,0,0]=3 258 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.23 COC(=O)C1=CCCN(C)C1 41785 [0,1,0,0,0,1|0,0,2]=4 261 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 90618 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.74 CC(=O)C1=CC(F)=CC(O)=C1 C90880 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.266 C#CC1=CC=CC(C(C)=O)=C1 C77890 [0,1,0,0,0,1|1,0,1]=4 267 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,1,0,0,0,1|1,0,1]=4 268 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,1,0,0,0,1|1,0,1]=4 269 B11R1.266 CC(=O)C1=CC=CC(CBr)=C1 72814 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 C14979 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 N10456 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 S11363 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.59 CCC1=C(C(=O)OC)C=CN1 F17904 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.59 CCN1C=NC=C1C(=O)OC F51540 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.59 COC(=O)C1=C(CCl)OC=C1 AT17457 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.178 CC(=O)C1=NC=NN1C(C)C 81557 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.178 CC(C)N1C=CN=C1C(=O)O AT15615 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.178 CC(C)N1C=NC=C1C(=O)O AT15448 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.178 O=C(O)C1=CC=NN1C(F)F 92422 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.193 CCCN1C=NC=C1C(=O)O AT15390 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.471 CCN1N=CC(Br)=C1C(=O)O F30628 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O F30590 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.471 COC1=C(C(=O)O)N(C)N=C1 C91428 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.225 CC1=CC(C(=O)CO)=C(C)S1 AC4311 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.225 COC(=O)C1=CC(Br)=CN1N AT10794 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.225 COC(=O)C1=NC(Br)=NN1C AT12551 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.199 CCOC(=O)C1=CSC=C1C 72423 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.865 COC(=O)C1=C(C)C(Br)=CN1 O11932 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 O11895 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.865 COC(=O)C1=CC=C(N)N1C F18362 [0,2,0,0,0,0|0,0,0]=2 291 B11R1.865 COC(=O)C1=CN=C(Br)N1C 91201 [0,2,0,0,0,0|1,0,0]=3 292 B11R1.865 COC(=O)C1=CN=C(N)N1C 63556 [0,2,0,0,0,0|1,0,0]=3 293 B11R1.875 COC(=O)C1=C(Cl)C=CN1C 91529 [0,2,0,0,0,0|0,0,0]=2 294 B11R1.875 COC(=O)C1=C(F)C=CN1C 91533 [0,2,0,0,0,0|0,0,0]=2 295 B11R1.875 COC(=O)C1=C(N)C=NN1C F14192 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,1,1,0,0|1,0,1]=4 297 B9R1.15 CCC1=CC=CN=C1C 75814 [0,0,1,1,0,0|2,0,0]=4 298 B9R2.3 C1=NN2CCOC2=C1 AT11029 [1,0,0,1,0,0|2,0,0]=4 299 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,0,0,1,0,1|2,0,0]=4 300 B11R2.106 O=C1CCCC2=C1NC=C2 F30748 [0,1,0,1,0,0|2,0,0]=4 301 B11R2.106 O=C1CCCN2C=CN=C12 AT24571 [0,1,0,1,0,0|1,0,0]=3 302 B11R2.106 O=C1COCC2=C1C=CN2 P13063 [0,1,0,1,0,0|2,0,0]=4 303 B11R2.106 O=C1NCCN2C=CN=C12 AT10378 [0,1,0,1,0,0|1,0,0]=3 304 B11R2.8 C[C@H]1CC2=C(C=CN2)C1=O 96727 [0,1,0,1,0,0|2,0,0]=4 305 B11R2.8 C[C@H]1CN2N=CC=C2C1=O 56871 [0,1,0,1,0,0|1,0,0]=3 306 B11R2.60 O=C1CCC2=C(Br)NC=C12 F12550 [0,1,0,1,0,0|2,0,0]=4 307 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,0,0,0,0,2|2,0,0]=4 308 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,0,0,0,0,2|1,0,0]=3 309 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [0,0,0,0,0,2|2,0,0]=4 310 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,0,0,0,0,2|2,0,0]=4 311 B11R1.86 CC(=O)NC1=NN=CC=C1C AC7622 [0,0,0,0,0,2|2,0,0]=4 312 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,0,0,0,0,2|2,0,0]=4 313 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,0,0,0,0,2|1,0,0]=3 314 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,0,0,0,0,2|2,0,0]=4 315 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,0,0,0,0,2|2,0,0]=4