0 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 C=CC1=CC=CN=C1 71366 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 CNC1=CC=CN=N1 79165 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 CSC1=NC=CC=N1 O10841 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 NCC1=CC=CC=C1 T70846 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.2 NNC1=CC=CN=N1 C15759 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 NNC1=NC=NC=C1 57488 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 OCC1=CCCCO1 S11090 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.2 SCC1=NC=CN=C1 78318 [0,0,0,0,0,0|2,1,0]=3 12 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 ClC1=CC=NC=C1 F17303 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 ClC1=CN=NC=C1 F19795 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 FC1=CC=NC=C1 F19691 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 FC1=CN=CN=C1 F14737 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|2,1,0]=4 23 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 [2H]C1=CC=NC=C1 D98795 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 ClCC1=NC=C(Br)C=N1 P10957 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 ClCC1=NC=C(Cl)C=N1 P10953 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 NNC1=NC=C(I)C=C1 C91520 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.1 OCC1=NC=C(O)C=N1 72629 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 N#CC1=CC(I)=NC=C1 A11430 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,1,0,0,0,0|1,0,2]=4 105 B9R1.2 OCC1=CC(O)=NC=N1 59935 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,1,0,0,0,0|1,0,2]=4 122 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,1,0,0,0,0|1,0,2]=4 123 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,1,0,0,0,0|0,0,1]=2 124 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,1,0,0,0,0|1,0,1]=3 125 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.8 BrC#CC1=CN=CC=C1 50128 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [0,1,0,0,0,0|1,0,1]=3 130 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.8 CNCC1=CN=CN=C1 38577 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.8 CNCC1=NC=CC=N1 27199 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.8 CNCC1=NC=CC=N1 72796 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.8 FCCC1=CC=CC=C1 75534 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.8 IC#CC1=CC=CC=C1 N11813 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.8 NCCC1=NC=CC=N1 83201 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,1,0,0,0,0|1,1,1]=4 152 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,1,0,0,0,0|1,1,0]=3 153 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.15 C#CC1=C(N)C=NC=C1 D83940 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.15 C#CC1=CC=CN=C1N 72370 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,1,0,0,0,0|1,0,1]=3 162 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.15 CCC1=CN=CN=C1O C15413 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.15 N#CC1=C(O)C=NC=C1 AT12828 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [0,1,0,0,0,0|1,0,1]=3 184 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [0,1,0,0,0,0|1,0,2]=4 186 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.15 NC1=C(CO)C=NC=N1 AT18389 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.15 NNC1=CC=CN=C1Cl D76828 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.15 O=CC1=CNC=CC1=O O11278 [0,1,0,0,0,0|1,0,2]=4 200 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.15 [O-][N+]1=C(CCl)N=CC=C1 AT18290 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.1 C=CC\C=C\CCC T72633 [0,0,1,0,0,0|1,0,2]=4 205 B7R1.1 BrCC1=CN=CS1 70967 [0,0,0,0,1,0|3,0,0]=4 206 B7R1.1 BrCC1=CNC=N1 AT15560 [0,0,0,0,1,0|3,0,0]=4 207 B7R1.1 BrCC1=COC=N1 F13651 [0,0,0,0,1,0|3,0,0]=4 208 B7R1.1 BrCC1=CSC=N1 70966 [0,0,0,0,1,0|3,0,0]=4 209 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,0,1,0|3,0,0]=4 210 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.1 ClCC1=CN=CS1 F13827 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.1 ClCC1=CNC=N1 70851 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.1 ClCC1=COC=N1 C16353 [0,0,0,0,1,0|3,0,0]=4 214 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,0,1,0|2,0,0]=3 215 B7R1.1 ClCC1=NC=CN1 35198 [0,0,0,0,1,0|3,0,0]=4 216 B7R1.1 ClCC1=NC=CS1 AC6679 [0,0,0,0,1,0|3,0,0]=4 217 B7R1.1 ClCN1C=CC=N1 79341 [0,0,0,0,1,0|3,0,0]=4 218 B7R1.1 NCC1=CC=NN1 P10323 [0,0,0,0,1,0|3,0,0]=4 219 B7R1.1 NCC1=CC=NS1 AT13366 [0,0,0,0,1,0|3,0,0]=4 220 B7R1.1 NCC1=CNC=N1 C90275 [0,0,0,0,1,0|3,0,0]=4 221 B7R1.1 NCC1=CNN=C1 83328 [0,0,0,0,1,0|3,0,0]=4 222 B7R1.1 NCC1=COC=C1 61502 [0,0,0,0,1,0|2,0,0]=3 223 B7R1.1 NCC1=COC=N1 73632 [0,0,0,0,1,0|3,0,0]=4 224 B7R1.1 NCC1=CSN=C1 AT21214 [0,0,0,0,1,0|3,0,0]=4 225 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,0,1,0|3,0,0]=4 226 B7R1.1 NNC1=CC=CS1 W17128 [0,0,0,0,1,0|3,0,0]=4 227 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,0,1,0|1,0,0]=2 228 B7R1.1 OCC1=CC=NN1 H11417 [0,0,0,0,1,0|2,0,0]=3 229 B7R1.1 OCC1=NC=CN1 D72609 [0,0,0,0,1,0|2,0,0]=3 230 B7R1.1 OCC1=NNN=C1 D78628 [0,0,0,0,1,0|3,0,0]=4 231 B7R1.1 OCC1=NON=C1 D74166 [0,0,0,0,1,0|3,0,0]=4 232 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,0,1,0|1,1,0]=3 233 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,1,0,0,0|1,0,1]=4 234 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|1,0,0]=3 235 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|1,0,0]=3 236 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|1,1,0]=4 243 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.4 CC1=CC=NC(I)=N1 N13215 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.4 NC1=CC=CC(=S)N1 C15708 [1,1,0,0,0,0|1,1,0]=4 250 B8R1.4 OC1=CC(I)=CN=C1 D74429 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [1,1,0,0,0,0|1,1,0]=4 252 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.4 [O-][N+]1=CN=CC(O)=C1 F17903 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 CC1=CC=NNC1=O 20227 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 CC1=CN=NC=C1C C15709 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|1,1,0]=4 263 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,1,0,0,0,0|1,1,0]=4 264 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 OC1=C(O)C=NN=C1 S10982 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,1,0,0,0,0|0,0,0]=2 267 B8R1.5 S=C1C=CNC=C1Cl AT18152 [1,1,0,0,0,0|1,1,0]=4 268 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,1,0,0,0,0|1,0,0]=3 269 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,1,0|2,0,0]=4 271 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,1,0|2,0,0]=4 272 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,1,0,0,1,0|2,0,0]=4 273 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,1,0|2,0,0]=4 274 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,1,0|1,0,0]=3 275 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,1,0|1,0,0]=3 276 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,1,0|2,0,0]=4 277 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,1,0|2,0,0]=4 280 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,1,0|1,0,0]=3 281 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,1,0,0,1,0|1,0,1]=4 297 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,1,0,0,1,0|1,0,0]=3 298 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,1,0,0,1,0|1,0,0]=3 300 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 OCC1=NNC(O)=C1 C90528 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,0,1,0|1,0,0]=3 310 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,0,1,0|1,0,0]=3 311 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,0,1,0|1,0,0]=3 312 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,0,1,0|1,0,0]=3 317 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.7 OB(O)C1=CNC=C1 AC8593 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.8 COCC1=NC=CN1 P10070 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.8 N#CCN1C=CC=C1 F50604 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.8 NNCC1=CC=CS1 P10519 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.8 NNCC1=CSC=C1 P10771 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.8 O=CCC1=CC=CS1 O10539 [0,1,0,0,1,0|1,0,1]=4 334 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,1,0|2,0,0]=4 340 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,1,0|2,0,0]=4 341 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,1,0|2,0,0]=4 342 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,1,0|2,0,0]=4 343 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,1,0|2,0,0]=4 344 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,1,0|2,0,0]=4 348 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,1,0|1,0,0]=3 356 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,1,0|1,0,0]=3 357 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.1 BrC#CC1=CC=C(Br)C=C1 94425 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [0,2,0,0,0,0|1,0,1]=4 360 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [0,2,0,0,0,0|0,0,1]=3 362 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,2,0,0,0,0|0,0,0]=2 367 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,2,0,0,0,0|0,1,0]=3 368 B10R1.1 ClC1=CC=C(C#CBr)C=C1 94423 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,2,0,0,0,0|1,0,0]=3 371 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,2,0,0,0,0|1,0,0]=3 372 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [0,2,0,0,0,0|0,0,2]=4 378 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,2,0,0,0,0|1,0,0]=3 379 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,2,0,0,0,0|1,0,0]=3 380 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.1 [N-]=[N+]=NC1=CC=C(I)C=C1 AC6317 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [0,2,0,0,0,0|1,0,1]=4 384 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,2,0,0,0,0|1,0,0]=3 387 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.3 N#CC1=NC=C(CN)C=C1 20809 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.3 N#CC1=NC=C(CN)C=C1 AT18624 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.3 N#CC1=NC=C(CO)C=C1 87746 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,2,0,0,0,0|1,0,0]=3 415 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 AT14603 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [0,2,0,0,0,0|1,0,1]=4 421 B10R1.25 CC1=C(C#N)C=CC(S)=C1 AT20986 [0,2,0,0,0,0|1,0,1]=4 422 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [0,2,0,0,0,0|1,0,0]=3 423 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [0,2,0,0,0,0|0,0,0]=2 426 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [0,2,0,0,0,0|0,0,0]=2 428 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [0,2,0,0,0,0|0,0,0]=2 429 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [0,2,0,0,0,0|0,0,0]=2 432 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [0,2,0,0,0,0|0,0,2]=4 434 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [0,2,0,0,0,0|0,0,0]=2 435 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [0,2,0,0,0,0|0,0,0]=2 436 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.25 CC1=NC=C(CO)C(O)=N1 C76221 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [0,2,0,0,0,0|1,0,0]=3 441 B10R1.25 CCN1C=CC(N)=CC1=O P12616 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.25 ClC1=CN=C(CBr)C(Cl)=C1 A51212 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.25 ClCC1=C(Br)C=C(Cl)C=N1 BL010231 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [0,2,0,0,0,0|0,1,0]=3 450 B10R1.25 FC1=CC(I)=C(CBr)C=N1 W17121 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.25 N#CC1=C(Cl)C=C(S)C=C1 AT20867 [0,2,0,0,0,0|1,0,1]=4 452 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [0,2,0,0,0,0|0,0,0]=2 453 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [0,2,0,0,0,0|0,0,0]=2 454 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [0,2,0,0,0,0|0,0,0]=2 455 B10R1.25 NC1=NC(N)=C(CO)C=N1 C15785 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.25 NCC1=C(Br)C=C(Br)C=N1 C91443 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 C91442 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.25 NCC1=C(F)C=C(F)C=N1 AC1076 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.25 NCC1=C(F)C=C(F)C=N1 O10070 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.25 NCC1=NC=C(Br)C=C1F P12061 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.25 NCC1=NC=C(Cl)C=C1F W15622 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.25 NNC1=C(Br)C=C(F)C=C1 69916 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 C10398 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.25 O=C1NC(=S)NC=C1CO F12768 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [0,2,0,0,0,0|0,0,2]=4 473 B10R1.25 OCC1=C(Br)C=C(Br)C=N1 C14404 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.25 OCC1=C(Cl)N=C(Br)C=C1 AT21654 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [0,2,0,0,0,0|0,0,0]=2 476 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [0,2,0,0,0,0|0,0,0]=2 477 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.176 C#CC1=CC(C)=C(Br)C=C1 C91264 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.176 CC1=C(Br)C=C(CO)N=C1 81452 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.176 CC1=C(Br)C=NC(CN)=C1 AC7093 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [0,2,0,0,0,0|1,0,0]=3 485 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [0,2,0,0,0,0|0,0,0]=2 487 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [0,2,0,0,0,0|0,0,0]=2 488 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.176 CN1C=C(CN)C=CC1=O P11875 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.176 CN1C=CC(CCl)=CC1=O AT19302 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.176 NC1=C(Cl)C=C(CO)C=N1 AT11640 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 D97054 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.176 NCC1=CN=C(Br)C(Cl)=C1 Y11680 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.176 NNC1=CC(Br)=C(F)C=C1 54717 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [0,2,0,0,0,0|0,0,2]=4 518 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [0,2,0,0,0,0|0,0,2]=4 519 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AC7185 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [0,2,0,0,0,0|0,0,0]=2 521 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.176 OCC1=CN=C(Br)C(Cl)=C1 AT10810 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 D88117 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.2 C=CC1=CC=CC(Br)=C1F H11842 [0,2,0,0,0,0|1,0,1]=4 525 B10R1.2 CC1=C(CCl)C=CC=[N+]1[O-] 96309 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [0,2,0,0,0,0|0,0,0]=2 528 B10R1.2 CC1=CC=CC(C#N)=C1S AT20894 [0,2,0,0,0,0|1,0,1]=4 529 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.2 CCN1C=CC=C(N)C1=O AT19274 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.2 CN1C=CC=C(CN)C1=O P11876 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.2 N#CC1=CC=CC(N)=C1O AT22558 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.2 N#CC1=CC=CC(O)=C1N C74010 [0,2,0,0,0,0|1,0,1]=4 543 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.2 NNC1=CC=CC(Br)=C1F 53855 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.2 O=CC1=CC=CC(Cl)=C1I 93250 [0,2,0,0,0,0|0,0,2]=4 547 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [0,2,0,0,0,0|0,0,0]=2 548 B10R1.2 OCC1=CN=CC(Br)=C1Cl AT15942 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.8 C=CC1=CC(Br)=CC(F)=C1 W12634 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.8 C=CC1=CC(F)=CC(F)=C1 AC9541 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.8 CC1=CC(CCl)=CC(Cl)=N1 57849 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.8 CC1=CC(CCl)=NC(C)=C1 O10512 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.8 CC1=CC(CN)=CC(Cl)=N1 57851 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.8 CNC1=CC(I)=CC(Br)=C1 F14267 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.8 FCC1=CC(Br)=CC(F)=C1 94378 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.8 FCC1=CC(I)=CC(F)=C1 94383 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 C91444 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 D81608 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.8 NNC1=CC(Cl)=CC(F)=C1 D88071 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.8 OCC1=CC(I)=CC(F)=C1 94382 [0,2,0,0,0,0|0,0,0]=2 563 B10R1.8 OCC1=CC(S)=CC(S)=C1 F19554 [0,2,0,0,0,0|0,0,0]=2 564 B10R1.8 OCC1=NC(O)=CC(O)=N1 AT21036 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,2,0,0,0,0|0,0,1]=3 566 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|0,0,0]=2 579 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,2,0,0,0,0|0,1,0]=3 581 B10R1.10 ClC1=CC=CC(C#CBr)=C1 55375 [0,2,0,0,0,0|1,0,1]=4 582 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.10 N#CCC1=CC(N)=NC=C1 AT18208 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,2,0,0,0,0|0,0,1]=3 592 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.30 C#CC1=C(Br)C=CC(Cl)=C1 AT26743 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.30 C#CC1=C(Cl)C=CC(N)=C1 C76584 [0,2,0,0,0,0|1,0,1]=4 597 B10R1.30 C#CC1=C(N)C=CC(F)=C1 AC7120 [0,2,0,0,0,0|1,0,1]=4 598 B10R1.30 C=CC1=C(Cl)C=CC(Cl)=C1 CK2537 [0,2,0,0,0,0|1,0,1]=4 599 B10R1.30 C=CC1=C(F)C=CC(F)=C1 CK2551 [0,2,0,0,0,0|1,0,1]=4 600 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [0,2,0,0,0,0|0,0,0]=2 602 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.30 CC1=CC(C#N)=C(S)C=C1 AT20893 [0,2,0,0,0,0|1,0,1]=4 604 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [0,2,0,0,0,0|0,0,0]=2 606 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.30 CCC1=C(Br)C=NC(Cl)=C1 AT13829 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.30 CCC1=CC(Br)=NC=C1N 51679 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.30 CCN1C=C(N)C=CC1=O AT19278 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.30 ClC1=NC(CBr)=C(Br)C=C1 52492 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.30 ClCC1=C(Br)C=NC(Cl)=C1 94576 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.30 FC1=NC(CBr)=C(Br)C=C1 85647 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.30 FCC1=C(F)C=CC(Br)=N1 C92966 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.30 N#CC1=C(S)C=CC(Cl)=C1 AT20896 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.30 NC1=C(C=O)C=C(I)C=C1 F15851 [0,2,0,0,0,0|0,0,2]=4 626 B10R1.30 NC1=CN=C(Cl)C(CO)=C1 D88075 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.30 NC1=NC=C(Br)C=C1CO 26758 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [0,2,0,0,0,0|1,0,0]=3 633 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 E72103 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 A51221 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.30 OCC1=C(Br)C=NC(Cl)=C1 F30510 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 A10682 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.30 OCC1=CC(Br)=CN=C1F P11806 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.30 OCC1=CC(F)=CN=C1Cl 85046 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.30 OCC1=CC(F)=CN=C1F AT10048 [0,2,0,0,0,0|1,0,0]=3 645 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 D71924 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.113 CC1=CC(B(O)O)=NC=C1 83427 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.113 CC1=CC(C(F)F)=NC=C1 C91253 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.113 CC1=CC=CC(B([O-])O)=N1 AT15842 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 AC3205 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.113 C[C@H](O)C1=CC(N)=NC=C1 CS1317 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,2,0,0,0,0|0,0,0]=2 674 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,2,0,0,0,0|0,0,0]=2 676 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.113 FC(F)C1=CC=CC(S)=C1 97706 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.113 FC1=NC(C(F)F)=CC=C1 E72212 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [0,2,0,0,0,0|0,1,1]=4 683 B10R1.113 NC1=CC(B(O)O)=CN=C1 AT14947 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,2,0,0,0,0|1,0,1]=4 685 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,2,0,0,0,0|0,0,2]=4 686 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [0,2,0,0,0,0|1,0,1]=4 687 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.113 OB(O)C1=CC=CC(S)=C1 C10361 [0,2,0,0,0,0|1,0,0]=3 689 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC6696 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.172 BrCC1=CN=CC(CBr)=C1 C11061 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.172 BrCC1=CN=CC(CBr)=C1 F30548 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|0,0,0]=2 694 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,2,0,0,0,0|0,0,0]=2 696 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.172 N#CC1=NC=CC(CCl)=C1 C76293 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [0,2,0,0,0,0|0,0,0]=2 707 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,2,0,0,0,0|1,0,0]=3 709 B10R1.15 C#C[C@@H](O)C1=CC=NC=C1 O10327 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,2,0,0,0,0|0,0,0]=2 713 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,2,0,0,0,0|1,0,0]=3 718 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,2,0,0,0,0|0,0,1]=3 719 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,2,0,0,0,0|1,0,1]=4 720 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,2,0,0,0,0|0,0,1]=3 721 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,2,0,0,0,0|0,0,1]=3 722 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,2,0,0,0,0|0,0,0]=2 723 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,2,0,0,0,0|0,0,0]=2 724 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,2,0,0,0,0|0,0,0]=2 725 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,2,0,0,0,0|0,0,0]=2 726 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [0,2,0,0,0,0|1,0,0]=3 729 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,2,0,0,0,0|0,0,1]=3 737 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,2,0,0,0,0|1,0,0]=3 739 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.28 CC(C)(O)C1=NC=CC=N1 AT18243 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.28 ClC(Cl)(Cl)C1=CN=CC=C1 C71811 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.28 ClC(Cl)(Cl)C1=NC=CC=C1 S11288 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 36909 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,2,0,0,0,0|1,0,0]=3 747 B10R1.28 [2H]C([2H])(Br)C1=CC=CC=C1 D99472 [0,2,0,0,0,0|1,0,0]=3 748 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 AT24168 [0,2,0,0,0,0|0,0,0]=2 750 B10R1.28 [2H]C([2H])([2H])C1=NC=CC=C1 D98627 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,2,0,0,0,0|0,0,0]=2 752 B10R1.61 BrC1=C(C(Br)Br)C=CN=C1 W10378 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,2,0,0,0,0|1,0,1]=4 754 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,2,0,0,0,0|0,0,2]=4 755 B10R1.61 CC1=C(B(O)O)C=CN=C1 AT14590 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.61 CC1=C(P(Cl)Cl)C=CC=C1 AC9855 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.61 CC1=CC=CN=C1B([O-])O AT15845 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,2,0,0,0,0|0,0,1]=3 760 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.61 C[C@H](N)C1=C(Cl)C=NC=C1 N14402 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.61 FC(F)C1=C(Br)C=NC=C1 AT12861 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.61 FC(F)C1=C(Br)C=NC=C1 D76051 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.61 FC(F)C1=CC=CN=C1Br 79327 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,2,0,0,0,0|1,0,1]=4 771 B10R1.61 NC1=C(B(O)O)C=NC=C1 AT12798 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,2,0,0,0,0|1,0,1]=4 773 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,2,0,0,0,0|0,0,2]=4 774 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,2,0,0,0,0|0,0,2]=4 775 B10R1.61 O=C1C=CC=CN1C(F)F AT12838 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.61 OB(O)C1=C(Br)C=CN=C1 FD10196 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 AT14944 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.61 OB(O)C1=C(F)C=CN=C1 FD10200 [0,2,0,0,0,0|2,0,0]=4 779 B10R1.4 C#CCN1C=CC=CC1=O AT19221 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [0,2,0,0,0,0|0,0,1]=3 781 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [0,2,0,0,0,0|0,0,0]=2 782 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,2,0,0,0,0|1,0,0]=3 785 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,2,0,0,0,0|1,0,0]=3 791 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,2,0,0,0,0|2,0,0]=4 793 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,2,0,0,0,0|1,0,0]=3 795 B10R1.4 N#CCC1=C(Br)C=NC=C1 C72683 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.4 N#CCN1C=CC=CC1=O AT19223 [0,2,0,0,0,0|2,0,0]=4 797 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.4 NCCN1C=CC=CC1=O F15207 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [0,2,0,0,0,0|1,0,0]=3 800 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.4 O=C1C=CN=CN1CCO AT13876 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [0,2,0,0,0,0|0,0,1]=3 803 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,2,0,0,0,0|1,0,0]=3 808 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,2,0,0,0,0|1,0,0]=3 811 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,2,0,0,0,0|0,0,0]=2 812 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,2,0,0,0,0|1,0,1]=4 813 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,2,0,0,0,0|0,0,1]=3 814 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,2,0,0,0,0|1,0,1]=4 815 B10R1.17 OCC#CC1=NC=CC=N1 F13494 [0,2,0,0,0,0|2,0,0]=4 816 B10R1.17 OCCCC1=CCC=CC1 72320 [0,2,0,0,0,0|0,0,2]=4 817 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,2,0,0,0,0|1,0,0]=3 818 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,2,0,0,0,0|1,0,0]=3 820 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [0,2,0,0,0,0|1,0,0]=3 821 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,2,0,0,0,0|1,1,0]=4 822 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,2,0,0,0,0|1,1,0]=4 823 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,2,0,0,0,0|0,0,2]=4 824 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,2,0,0,0,0|0,0,0]=2 828 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,2,0,0,0,0|0,0,0]=2 829 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,2,0,0,0,0|1,0,1]=4 830 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,2,0,0,0,0|1,0,0]=3 831 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,2,0,0,0,0|0,0,0]=2 832 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,2,0,0,0,0|1,0,1]=4 833 B10R1.20 C#CC1=C(C#N)C=CC=C1 F21305 [0,2,0,0,0,0|1,0,1]=4 834 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [0,2,0,0,0,0|0,0,0]=2 836 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [0,2,0,0,0,0|1,0,0]=3 840 B10R1.20 COC1=C(NN)C=CC=C1 71208 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.20 COC1=NC=CC=C1CN 36590 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.20 N#CC1=C(CCl)C=CN=C1 AT18188 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.20 N#CC1=NC=CC=C1CN 92898 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,2,0,0,0,0|1,0,0]=3 846 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [0,2,0,0,0,0|0,0,0]=2 848 B10R1.245 CC1=CC=CC(N)=C1C=O F15844 [0,2,0,0,0,0|0,0,2]=4 849 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [0,2,0,0,0,0|0,0,0]=2 850 B10R1.245 CC1=NC=NC(C)=C1CO P11861 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.245 FC1=CN=CC(Br)=C1CCl 31765 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.245 FC1=CN=CC(Br)=C1CCl C73944 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.245 N#CC1=C(Cl)C=CC=C1S AT20865 [0,2,0,0,0,0|1,0,1]=4 856 B10R1.245 NCC1=C(Br)C=NC=C1Br AC3558 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.245 NCC1=C(Cl)C=CN=C1N 81939 [0,2,0,0,0,0|2,0,0]=4 858 B10R1.245 OCC1=C(Br)C=CC=C1Cl C91616 [0,2,0,0,0,0|0,0,0]=2 859 B10R1.245 OCC1=C(Br)C=CC=C1O 75753 [0,2,0,0,0,0|0,0,0]=2 860 B10R1.245 OCC1=C(Br)C=NC=C1Br C91116 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.245 OCC1=C(Cl)N=CN=C1Cl 94183 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.245 OCC1=C(I)C=CN=C1Cl 77407 [0,2,0,0,0,0|1,0,0]=3 863 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [0,1,0,1,0,0|2,0,0]=4 864 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,1,0,1,0,0|1,0,0]=3 865 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,1,0,1,0,0|0,0,0]=2 866 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [0,1,0,1,0,0|0,1,0]=3 867 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [0,1,0,1,0,0|1,0,1]=4 868 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,1,0,1,0,0|2,0,0]=4 869 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|2,0,0]=4 870 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|2,0,0]=4 871 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|2,0,0]=4 872 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 873 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 874 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|2,0,0]=4 875 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,1,0|2,0,0]=4