0 B7R1.4 BrC1=C(Br)SC=N1 C11305 [0,0,0,0,0,0|3,1,0]=4 1 B7R1.4 BrC1=C(I)C=CS1 AT16380 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.4 CC1=C(Br)C=NN1 O11185 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CC1=C(Br)NN=N1 27531 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.4 CC1=C(I)NN=C1 72687 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.4 CC1=C(N)N=CN1 C15418 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 CC1=C(N)NN=C1 P11216 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 CC1=C(S)C=CS1 A10974 [0,0,0,0,0,0|0,1,0]=1 11 B7R1.4 CC1=CNN=C1I 72684 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 CC1=NNC=C1Cl AT10929 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 CC1=NOC=C1N AT19806 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 CN1N=CC=C1Cl AT15843 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 CN1N=CN=C1Cl AT12341 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 CN1N=CNC1=O AT21264 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.4 ClC1=C(Br)N=CN1 AT15551 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 NC1=C(Br)C=CS1 C16366 [0,0,0,0,0,0|2,1,0]=3 19 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [0,0,0,0,0,0|2,1,0]=3 20 B7R1.4 NC1=C(F)C=NN1 D96709 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 NC1=CNN=C1N 37367 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 NC1=NOC=C1Cl A50064 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,0,0|2,1,0]=4 24 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,0,0|1,0,0]=2 25 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,0,0|1,0,0]=2 26 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,0,0|2,0,0]=3 27 B6R1.2 ClC1=CSN=C1 F13704 [1,0,0,0,0,0|2,1,0]=4 28 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,0,0|2,0,0]=3 29 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,0,0|2,1,0]=4 30 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,0,0|1,1,0]=3 31 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,0,0|1,1,0]=3 32 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,0,0|2,1,0]=4 33 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,0,0|1,1,0]=3 35 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.11 C=CN1C=CN=C1C T72225 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.11 CC1=C(C#N)C=CO1 AT17522 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.11 CC1=C(C#N)C=NO1 AC5754 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.11 CC1=C(C#N)N=CO1 58494 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.11 CC1=C(C#N)SC=N1 AT15031 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [0,1,0,0,0,0|0,2,0]=3 44 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [0,1,0,0,0,0|1,1,0]=3 45 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,1,0,0,0,0|2,1,0]=4 46 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,1,0,0,0,0|2,1,0]=4 48 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,1,0,0,0,0|2,1,0]=4 50 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,1,0,0,0,0|2,1,0]=4 51 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,0,0|1,1,0]=3 54 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,0,0|1,1,0]=3 62 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,0,0|1,2,0]=4 63 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,0,0|2,1,0]=4 65 B8R1.11 CC1=CNC=C1C#N AT16242 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 CC1=NOC=C1CCl AT19032 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,0,0|2,1,0]=4 71 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,0,0|2,1,0]=4 80 B8R1.11 CN1C=CN=C1CBr AT15680 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.11 CN1C=CN=C1CN AT15625 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.11 CN1N=CC=C1CBr AT15925 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,0,0|1,1,0]=3 88 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,0,0|1,1,0]=3 90 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [0,1,0,0,0,0|2,1,0]=4 92 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,0,0|1,1,0]=3 93 B8R1.11 ClCC1=C(Br)SC=N1 AT14723 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,0,0|1,1,0]=3 95 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,0,0|2,1,0]=4 96 B8R1.11 N#CC1=C(Br)C=CO1 AT17437 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.11 N#CC1=C(Cl)SC=C1 AT16561 [0,1,0,0,0,0|2,1,0]=4 98 B8R1.11 NC1=C(C=O)SC=C1 O10948 [0,1,0,0,0,0|1,1,1]=4 99 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [0,1,0,0,0,0|1,1,1]=4 103 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,1,0,0,0,0|2,1,0]=4 105 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,0,0|1,2,0]=4 106 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,0,0,0|1,1,0]=3 112 B8R1.18 CC1=C(Cl)N=C(Cl)S1 O10590 [0,1,0,0,0,0|2,1,0]=4 113 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,0,0,0|1,1,0]=3 116 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.18 CC1=NN(C)C=C1N CL3439 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.18 CN1N=C(Cl)C=C1N P14551 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.18 CN1N=C(I)C=C1F P15024 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.18 CN1N=C(N)C=C1N F17296 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,1,0,0,0,0|1,1,1]=4 122 B8R1.50 CC1=C(C)C(O)=NO1 AT21054 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.50 CC1=C(Cl)C(N)=NN1 AT25139 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.50 CC1=C(Cl)C(N)=NO1 AT19795 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.50 CC1=C(N)C=NN1C C10730 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.50 CC1=NOC(N)=C1I AT19824 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.50 CC1=NSC(N)=C1Br AT21089 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.50 CC1=NSC(N)=C1Cl AT21116 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.50 CC1=NSC(N)=C1I AT21119 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.50 CN1N=CC(I)=C1N AT14123 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.50 CN1N=CC(N)=C1Br AT13634 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.50 CN1N=CC(N)=C1Cl AT25123 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.50 CN1N=CC(N)=C1N A10126 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.50 O=C1OCC(O)=C1Br D75457 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.3 C=CC(=O)C(C)C C77506 [0,0,1,0,0,0|1,1,1]=4 138 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,0,1,0,0,0|1,0,2]=4 139 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,0,1,0,0,0|1,0,2]=4 140 B6R0.3 C=C[C@H](N)C(=O)O 33549 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.3 C=C[C@H](N)C(=O)O 33604 [0,0,1,0,0,0|2,0,1]=4 142 B6R0.3 C=C[C@H](N)C(=O)O F31266 [0,0,1,0,0,0|2,0,1]=4 143 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.6 CCO\C=C\C=O F18326 [0,0,1,0,0,0|0,1,1]=3 145 B6R0.6 O=C\C=C\C=C\[O-] 98104 [0,0,1,0,0,0|2,1,0]=4 146 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,0,0,0,0,1|3,0,0]=4 147 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,0,0,0,0,1|3,0,0]=4 148 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,0,0,0,0,1|3,0,0]=4 149 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,0,0,0,0,1|0,1,1]=3 151 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,0,0,0,0,1|3,0,0]=4 152 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,0,0,0,0,1|3,0,0]=4 153 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,0,0,0,0,1|2,0,1]=4 154 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,0,0,0,0,1|2,1,0]=4 156 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.5 BrC1=CN=CN=C1I P11647 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.5 CC1=CC=NNC1=O 20227 [0,0,0,0,0,1|2,1,0]=4 161 B8R1.5 CC1=CN=CN=C1Cl 72600 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.5 CC1=CN=NC=C1C C15709 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.5 CC1=NC=CN=C1I P10643 [0,0,0,0,0,1|2,0,0]=3 164 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,0,0,0,0,1|1,0,2]=4 166 B8R1.5 FC1=C(F)C=NC=C1 O10910 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.5 FC1=CC=CN=C1S AT18759 [0,0,0,0,0,1|2,0,0]=3 168 B8R1.5 FC1=NC=CN=C1I D76573 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.5 IC1=NC=CN=C1I N13386 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.5 NC1=C(S)C=NC=C1 P11896 [0,0,0,0,0,1|2,0,0]=3 171 B8R1.5 O=C1NC=NC=C1Cl P12334 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.5 O=C1NC=NC=C1I P13009 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.5 O=C1OCCC=C1Br AC2797 [0,0,0,0,0,1|2,0,1]=4 174 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [0,0,0,0,0,1|2,1,0]=4 176 B8R1.5 S=C1C=CNC=C1Cl AT18152 [0,0,0,0,0,1|2,0,1]=4 177 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [0,0,0,0,0,1|3,0,0]=4 178 B5R0.1 C=CCC(=C)C T72918 [1,0,1,0,0,0|1,0,0]=3 179 B5R0.2 CO\C=C\C#N F16426 [1,0,1,0,0,0|1,0,1]=4 180 B5R0.5 C=C(C)C(=O)[O-] F14145 [1,0,1,0,0,0|1,1,0]=4 181 B5R1.1 C1=CNC=N1 AT25065 [2,0,0,0,0,0|2,0,0]=4 182 B5R1.1 C1=CNC=N1 T71525 [2,0,0,0,0,0|2,0,0]=4 183 B5R1.1 C1=CNC=N1 T72823 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,1,0,0,0|1,0,1]=4 185 B7R0.3 COC(=O)\C=C\CO AT12483 [0,1,1,0,0,0|1,1,0]=4 186 B7R0.10 COC(=O)\C(C)=C\O 91385 [0,1,1,0,0,0|1,1,0]=4 187 B7R1.1 BrCC1=CN=CS1 70967 [1,1,0,0,0,0|1,1,0]=4 188 B7R1.1 BrCC1=CNC=N1 AT15560 [1,1,0,0,0,0|2,0,0]=4 189 B7R1.1 BrCC1=COC=N1 F13651 [1,1,0,0,0,0|2,0,0]=4 190 B7R1.1 BrCC1=CSC=N1 70966 [1,1,0,0,0,0|2,0,0]=4 191 B7R1.1 CCC1=CN=CO1 C77473 [1,1,0,0,0,0|1,0,0]=3 192 B7R1.1 CCC1=COC=N1 C77618 [1,1,0,0,0,0|2,0,0]=4 193 B7R1.1 CNC1=NC=CS1 H11141 [1,1,0,0,0,0|1,1,0]=4 194 B7R1.1 CNC1=NN=CO1 AT18791 [1,1,0,0,0,0|2,0,0]=4 195 B7R1.1 COC1=NSC=C1 AT11777 [1,1,0,0,0,0|2,0,0]=4 196 B7R1.1 ClCC1=CN=CS1 F13827 [1,1,0,0,0,0|1,1,0]=4 197 B7R1.1 ClCC1=CNC=N1 70851 [1,1,0,0,0,0|2,0,0]=4 198 B7R1.1 ClCC1=COC=N1 C16353 [1,1,0,0,0,0|2,0,0]=4 199 B7R1.1 ClCC1=CSC=C1 AT17055 [1,1,0,0,0,0|1,1,0]=4 200 B7R1.1 ClCC1=NC=CN1 35198 [1,1,0,0,0,0|2,0,0]=4 201 B7R1.1 ClCC1=NC=CS1 AC6679 [1,1,0,0,0,0|1,1,0]=4 202 B7R1.1 ClCC1=NN=CO1 C90532 [1,1,0,0,0,0|2,0,0]=4 203 B7R1.1 ClCN1C=CC=N1 79341 [1,1,0,0,0,0|2,0,0]=4 204 B7R1.1 NCC1=CC=NN1 P10323 [1,1,0,0,0,0|2,0,0]=4 205 B7R1.1 NCC1=CC=NS1 AT13366 [1,1,0,0,0,0|1,1,0]=4 206 B7R1.1 NCC1=CNC=N1 C90275 [1,1,0,0,0,0|2,0,0]=4 207 B7R1.1 NCC1=COC=C1 61502 [1,1,0,0,0,0|1,0,0]=3 208 B7R1.1 NCC1=COC=N1 73632 [1,1,0,0,0,0|2,0,0]=4 209 B7R1.1 NCC1=NN=CO1 AT18772 [1,1,0,0,0,0|2,0,0]=4 210 B7R1.1 NCC1=NSC=C1 P10783 [1,1,0,0,0,0|2,0,0]=4 211 B7R1.1 NNC1=CC=CS1 W17128 [1,1,0,0,0,0|1,1,0]=4 212 B7R1.1 OCC1=CC=CN1 AT16114 [1,1,0,0,0,0|1,0,0]=3 213 B7R1.1 OCC1=CC=NN1 H11417 [1,1,0,0,0,0|2,0,0]=4 214 B7R1.1 OCC1=NC=CN1 D72609 [1,1,0,0,0,0|2,0,0]=4 215 B7R1.1 SCC1=CC=CS1 T72725 [1,1,0,0,0,0|0,1,0]=3 216 B7R1.2 BrC1=CSC(I)=C1 F10349 [1,1,0,0,0,0|1,1,0]=4 217 B7R1.2 CC1=CC(Br)=CO1 I11460 [1,1,0,0,0,0|0,0,0]=2 218 B7R1.2 CC1=CC(N)=CS1 27442 [1,1,0,0,0,0|0,1,0]=3 219 B7R1.2 CC1=CC(N)=NS1 A51223 [1,1,0,0,0,0|1,1,0]=4 220 B7R1.2 CC1=CC=C(S)S1 AT16550 [1,1,0,0,0,0|0,1,0]=3 221 B7R1.2 CC1=CN=C(C)O1 AC5679 [1,1,0,0,0,0|1,0,0]=3 222 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [1,1,0,0,0,0|1,0,0]=3 223 B7R1.2 CC1=CN=C(N)N1 27977 [1,1,0,0,0,0|2,0,0]=4 224 B7R1.2 CC1=COC(Br)=N1 AT18461 [1,1,0,0,0,0|2,0,0]=4 225 B7R1.2 CC1=COC(Cl)=N1 A51023 [1,1,0,0,0,0|2,0,0]=4 226 B7R1.2 CC1=CSC(N)=C1 N12877 [1,1,0,0,0,0|1,1,0]=4 227 B7R1.2 CC1=CSC(N)=C1 S11464 [1,1,0,0,0,0|1,1,0]=4 228 B7R1.2 CC1=CSC(S)=C1 AT16548 [1,1,0,0,0,0|1,1,0]=4 229 B7R1.2 CC1=NC(N)=CS1 AC2762 [1,1,0,0,0,0|1,1,0]=4 230 B7R1.2 CC1=NC=C(Br)O1 AT18670 [1,1,0,0,0,0|1,0,0]=3 231 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [1,1,0,0,0,0|1,1,0]=4 232 B7R1.2 CC1=NC=C(N)S1 D85841 [1,1,0,0,0,0|1,1,0]=4 233 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [1,1,0,0,0,0|2,0,0]=4 234 B7R1.2 CC1=NN=C(I)O1 AT18781 [1,1,0,0,0,0|2,0,0]=4 235 B7R1.2 CC1=NSC(I)=C1 W12926 [1,1,0,0,0,0|2,0,0]=4 236 B7R1.2 CC1=NSC(N)=C1 C77679 [1,1,0,0,0,0|2,0,0]=4 237 B7R1.2 CN1C=C(F)C=N1 D79458 [1,1,0,0,0,0|2,0,0]=4 238 B7R1.2 CN1C=CC(N)=C1 77871 [1,1,0,0,0,0|2,0,0]=4 239 B7R1.2 ClC1=CC=C(I)S1 C74472 [1,1,0,0,0,0|1,1,0]=4 240 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [1,1,0,0,0,0|1,1,0]=4 241 B7R1.2 IC1=COC(I)=N1 D76854 [1,1,0,0,0,0|2,0,0]=4 242 B7R1.2 NC1=CC(N)=NO1 AT19796 [1,1,0,0,0,0|2,0,0]=4 243 B7R1.2 NC1=CC=C(Cl)S1 D87671 [1,1,0,0,0,0|1,1,0]=4 244 B7R1.2 NC1=CSC(Cl)=C1 38492 [1,1,0,0,0,0|1,1,0]=4 245 B7R1.2 NC1=CSC(Cl)=C1 P13129 [1,1,0,0,0,0|1,1,0]=4 246 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [1,1,0,0,0,0|1,1,0]=4 247 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,1|2,0,0]=4 249 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,1|2,0,0]=4 250 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,1|1,1,0]=4 260 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,1|2,0,0]=4 261 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [0,1,0,0,0,1|1,1,0]=4 265 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,1,0,0,0,1|1,0,0]=3 266 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,1,0,0,0,1|1,0,0]=3 267 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.3 NC1=C(S)C=CC=C1F C16304 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [0,1,0,0,0,1|1,0,0]=3 275 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [0,1,0,0,0,1|1,1,0]=4 276 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [0,1,0,0,0,1|1,1,0]=4 277 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 AT20882 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.34 SC1=CC(S)=CC(S)=C1 T70854 [0,1,0,0,0,1|2,0,0]=4 279 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [0,1,0,0,0,1|1,1,0]=4 281 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,1,0,0,0,1|1,1,0]=4 282 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [0,1,0,0,0,1|1,0,0]=3 283 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [0,1,0,0,0,1|1,0,0]=3 290 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [0,1,0,0,0,1|1,0,0]=3 291 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [0,1,0,0,0,1|1,0,0]=3 292 B9R1.69 CC1=CC(S)=C(N)N=N1 P10200 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,1,0,0,0,1|1,1,0]=4 294 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [0,1,0,0,0,1|1,1,0]=4 296 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [0,1,0,0,0,1|1,1,0]=4 297 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [0,1,0,0,0,1|2,0,0]=4 298 B9R1.69 CC1=[N+]([O-])C=CC(Cl)=C1 AT14034 [0,1,0,0,0,1|2,0,0]=4 299 B9R1.69 FC1=C(Br)C=C(S)C=C1 AT20850 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.69 FC1=C(S)C=C(Br)C=C1 AT20849 [0,1,0,0,0,1|2,0,0]=4 301 B9R1.69 FC1=C(S)C=C(Cl)C=C1 AT20862 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.69 FC1=CC(S)=C(Br)C=C1 AT20853 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.69 NC1=C(S)C=C(Br)C=C1 AT20886 [0,1,0,0,0,1|2,0,0]=4 304 B9R1.69 NC1=CC(S)=C(Cl)C=C1 AT20816 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.69 OC1=CC(S)=C(O)C=C1 79473 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 AT20839 [0,1,0,0,0,1|2,0,0]=4 307 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 AT20846 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [0,1,0,0,0,1|1,1,0]=4 314 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,1,0,0,0,1|2,0,0]=4 315 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,1,0,0,0,1|2,0,0]=4 316 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [0,1,0,0,0,1|1,1,0]=4 319 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,1|2,0,0]=4 320 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,1|2,0,0]=4 322 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,1|2,0,0]=4 327 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,1,0,0,0,1|1,1,0]=4 328 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,1,0,0,0,1|2,0,0]=4 331 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [0,1,0,0,0,1|1,0,1]=4 333 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,1,0,0,0,1|1,0,1]=4 334 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,1|1,1,0]=4 340 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,1,0,0,0,1|1,1,0]=4 341 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.14 BrCC1=C(CBr)SC=C1 AC3823 [0,2,0,0,0,0|1,1,0]=4 346 B9R1.22 CC1=CC(C#N)=C(C)O1 AT17526 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [0,2,0,0,0,0|0,1,0]=3 348 B9R1.22 CC1=CC(CCl)=C(C)S1 AT17067 [0,2,0,0,0,0|1,1,0]=4 349 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.22 CC1=CC(CN)=C(C)S1 AT16798 [0,2,0,0,0,0|1,1,0]=4 352 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [0,2,0,0,0,0|0,2,0]=4 353 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [0,2,0,0,0,0|1,1,0]=4 355 B9R1.22 CC1=NC(CCl)=C(C)O1 AT18616 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.22 COC1=CC(=O)OC1=O AC6645 [0,2,0,0,0,0|1,1,0]=4 357 B9R1.27 CC1=C(C=O)C(Br)=NO1 AT19701 [0,2,0,0,0,0|1,1,0]=4 358 B9R1.27 CC1=C(CCl)C(Br)=NO1 AT19723 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.27 CC1=C(CO)C(Br)=NO1 AT19719 [0,2,0,0,0,0|1,1,0]=4 360 B9R1.27 CC1=CNC(C)=C1C#N F51877 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.27 CC1=COC(N)=C1C#N 88900 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.27 CC1=CSC(C)=C1C=O 93335 [0,2,0,0,0,0|0,2,0]=4 363 B9R1.27 CC1=CSC(C)=C1CO 93334 [0,2,0,0,0,0|0,2,0]=4 364 B9R1.27 CC1=NOC(C)=C1CS 89771 [0,2,0,0,0,0|1,0,0]=3 365 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,2,0,0,0,0|1,1,0]=4 367 B9R1.33 CNCC1=C(C)ON=C1 F14262 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.33 N#CCC1=C(Cl)C=CS1 AT16887 [0,2,0,0,0,0|1,1,0]=4 369 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,2,0,0,0,0|0,2,0]=4 371 B9R1.41 CC(C)C1=C(N)C=NO1 AT19808 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,2,0,0,0,0|1,1,0]=4 373 B9R1.41 FC(F)C1=C(Br)C=CO1 AT17257 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,2,0,0,0,0|1,0,1]=4 375 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,2,0,0,0,0|1,1,0]=4 376 B9R1.132 CC1=C(Br)C(CBr)=NO1 AT19742 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [0,2,0,0,0,0|1,1,0]=4 378 B9R1.132 CC1=C(C)C(CN)=CS1 AT16799 [0,2,0,0,0,0|1,1,0]=4 379 B9R1.132 COC1=NOC(C)=C1N AT19571 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.23 CC1=C(C)OC(C=O)=C1 F30227 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.23 CC1=C(C)OC(C=O)=N1 AT18582 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.23 CC1=C(C)OC(CCl)=N1 AT18579 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.23 O=CC1=CC(Br)=C(Br)O1 I10154 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.37 CC1=C(Cl)C(=O)OC1=O F53489 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,2,0,0,0,0|0,1,1]=4 386 B9R1.37 [2H]C1=C([2H])C(=O)OC1=O D99444 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.38 CC1=CC(=O)OC1(C)C D75456 [0,2,0,0,0,0|1,0,1]=4 388 B9R2.3 C1=CC2=C(CNC2)O1 91178 [0,1,0,1,0,0|1,0,0]=3 389 B9R2.3 C1=CC2=C(N=CS2)S1 93683 [0,1,0,1,0,0|0,1,1]=4