0 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 C=CC1=CC=CN=C1 71366 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.2 CNC1=CC=CN=N1 79165 [0,0,0,0,0,0|2,0,0]=2 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|4,0,0]=4 7 B8R1.2 NCC1=CC=CC=C1 T70846 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 NNC1=CC=CN=N1 C15759 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 SCC1=NC=CN=C1 78318 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 ClC1=CC=NC=C1 F17303 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.3 ClC1=CN=NC=C1 F19795 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 FC1=CC=NC=C1 F19691 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 FC1=CN=CN=C1 F14737 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 O=C1C=NCN=C1 36727 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.3 O=C1C=NN=CN1 F30273 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 [2H]C1=CC=NC=C1 D98795 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.1 C#CC1=CN=C(Br)C=N1 AC9603 [0,1,0,0,0,0|1,0,2]=4 26 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [0,1,0,0,0,0|0,0,2]=3 28 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.1 COC1=CN=C(I)C=N1 D75305 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 CSC1=NC=C(N)N=C1 92096 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 N#CC1=NN=C(Br)C=C1 AT17778 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.1 N#CC1=NN=C(I)C=C1 AT17817 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 NNC1=NN=C(F)C=C1 AT24743 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|0,0,2]=3 67 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [0,1,0,0,0,0|0,0,2]=3 68 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.2 N#CC1=CC(Cl)=NN=C1 AT17811 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,1,0,0,0,0|1,0,1]=3 98 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.6 O=[N+]([O-])C1=CN=CN=C1 C14718 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,1,0,0,0,0|1,0,2]=4 116 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.8 BrC#CC1=CN=CC=C1 50128 [0,1,0,0,0,0|0,0,2]=3 118 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,1,0,0,0,0|0,0,0]=1 119 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,1,0,0,0,0|0,0,0]=1 121 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.8 CNCC1=CN=CN=C1 38577 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.8 CNCC1=NC=CC=N1 27199 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.8 CNCC1=NC=CC=N1 72796 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.8 FCCC1=CC=CC=C1 75534 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.8 IC#CC1=CC=CC=C1 N11813 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.8 NCCC1=NC=CC=N1 83201 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,1,0,0,0,0|0,0,1]=2 144 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [0,1,0,0,0,0|0,0,2]=3 145 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,1,0,0,0,0|0,0,2]=3 146 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [0,1,0,0,0,0|0,0,2]=3 147 B9R1.15 C#CC1=CC=CN=C1N 72370 [0,1,0,0,0,0|0,0,2]=3 148 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [0,1,0,0,0,0|1,0,2]=4 149 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,1,0,0,0,0|1,0,2]=4 150 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,1,0,0,0,0|0,0,2]=3 151 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,1,0,0,0,0|0,0,2]=3 152 B9R1.15 CC1=C(C#N)C=NN=C1 P16129 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.15 CC1=C(NN)N=NC=C1 O11008 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.15 CC1=CC=NN=C1C#N P12501 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,0|0,0,0]=1 165 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,0|0,0,0]=1 167 B9R1.15 CCC1=CN=CN=C1O C15413 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 COC1=CC=NNC1=O 76149 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.15 COC1=CN=CN=C1Br O11184 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,1,0,0,0,0|1,0,1]=3 178 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [0,1,0,0,0,0|1,0,1]=3 179 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.15 NC1=C(CO)C=NC=N1 AT18389 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.15 NNC1=CC=CN=C1Cl D76828 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.15 O=CC1=CNC=CC1=O O11278 [0,1,0,0,0,0|1,0,2]=4 192 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.1 C=CC\C=C\CCC T72633 [0,0,1,0,0,0|1,0,2]=4 196 B7R0.3 COC(=O)\C=C\C=O D90666 [0,0,1,0,0,0|3,0,0]=4 197 B7R1.1 BrCC1=CN=CS1 70967 [0,0,0,0,1,0|2,0,0]=3 198 B7R1.1 BrCC1=CNC=N1 AT15560 [0,0,0,0,1,0|2,0,0]=3 199 B7R1.1 BrCC1=COC=N1 F13651 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.1 BrCC1=CSC=N1 70966 [0,0,0,0,1,0|2,0,0]=3 201 B7R1.1 BrCC1=NSN=C1 AT12137 [0,0,0,0,1,0|3,0,0]=4 202 B7R1.1 C=CC1=NC=CS1 C72532 [0,0,0,0,1,0|1,0,2]=4 203 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,0,1,0|1,0,0]=2 204 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,0,1,0|1,0,0]=2 205 B7R1.1 CCC1=NN=CN1 AT12320 [0,0,0,0,1,0|2,0,0]=3 206 B7R1.1 CCN1N=CN=N1 F17210 [0,0,0,0,1,0|3,0,0]=4 207 B7R1.1 CNC1=CNN=C1 AT23101 [0,0,0,0,1,0|2,0,0]=3 208 B7R1.1 CNC1=NC=CS1 H11141 [0,0,0,0,1,0|2,0,0]=3 209 B7R1.1 CNC1=NN=CO1 AT18791 [0,0,0,0,1,0|3,0,0]=4 210 B7R1.1 CNC1=NN=CS1 71255 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.1 COC1=NSC=C1 AT11777 [0,0,0,0,1,0|2,0,0]=3 212 B7R1.1 ClCC1=CN=CS1 F13827 [0,0,0,0,1,0|2,0,0]=3 213 B7R1.1 ClCC1=CNC=N1 70851 [0,0,0,0,1,0|2,0,0]=3 214 B7R1.1 ClCC1=COC=N1 C16353 [0,0,0,0,1,0|2,0,0]=3 215 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,0,1,0|2,0,0]=3 216 B7R1.1 ClCC1=NC=CN1 35198 [0,0,0,0,1,0|2,0,0]=3 217 B7R1.1 ClCC1=NC=CS1 AC6679 [0,0,0,0,1,0|2,0,0]=3 218 B7R1.1 ClCC1=NN=CO1 C90532 [0,0,0,0,1,0|3,0,0]=4 219 B7R1.1 ClCN1C=CC=N1 79341 [0,0,0,0,1,0|2,0,0]=3 220 B7R1.1 N#CC1=CNN=C1 O10410 [0,0,0,0,1,0|2,0,1]=4 221 B7R1.1 NCC1=CC=NN1 P10323 [0,0,0,0,1,0|2,0,0]=3 222 B7R1.1 NCC1=CC=NS1 AT13366 [0,0,0,0,1,0|2,0,0]=3 223 B7R1.1 NCC1=CNC=N1 C90275 [0,0,0,0,1,0|2,0,0]=3 224 B7R1.1 NCC1=CNN=C1 83328 [0,0,0,0,1,0|2,0,0]=3 225 B7R1.1 NCC1=COC=C1 61502 [0,0,0,0,1,0|2,0,0]=3 226 B7R1.1 NCC1=COC=N1 73632 [0,0,0,0,1,0|2,0,0]=3 227 B7R1.1 NCC1=CSN=C1 AT21214 [0,0,0,0,1,0|2,0,0]=3 228 B7R1.1 NCC1=NC=NN1 S10770 [0,0,0,0,1,0|3,0,0]=4 229 B7R1.1 NCC1=NN=CO1 AT18772 [0,0,0,0,1,0|3,0,0]=4 230 B7R1.1 NCC1=NNC=N1 C14327 [0,0,0,0,1,0|3,0,0]=4 231 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,0,1,0|2,0,0]=3 232 B7R1.1 NNC1=CC=CS1 W17128 [0,0,0,0,1,0|3,0,0]=4 233 B7R1.1 NNC1=NC=CN1 25904 [0,0,0,0,1,0|3,0,0]=4 234 B7R1.1 NNC1=NC=CS1 D87841 [0,0,0,0,1,0|3,0,0]=4 235 B7R1.1 O=CC1=CSN=C1 83208 [0,0,0,0,1,0|2,0,1]=4 236 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,0,1,0|1,0,1]=3 237 B7R1.1 OCC1=CC=NN1 H11417 [0,0,0,0,1,0|2,0,0]=3 238 B7R1.1 OCC1=NC=CN1 D72609 [0,0,0,0,1,0|2,0,0]=3 239 B7R1.1 OCC1=NNN=C1 D78628 [0,0,0,0,1,0|3,0,0]=4 240 B7R1.1 OCC1=NON=C1 D74166 [0,0,0,0,1,0|3,0,0]=4 241 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,0,1,0|2,0,0]=3 242 B6R0.6 CCO\C=C\C=O F18326 [1,0,1,0,0,0|2,0,0]=4 243 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.3 FC1=CN=C(I)N=C1 89571 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.3 NC1=CC=C(N)N=N1 D78632 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.3 O=C1C=CC(=O)N=N1 83325 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.4 CC1=NC(N)=CN=N1 D86296 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.4 OC1=CC(I)=CN=C1 D74429 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.4 [O-][N+]1=CN=CC(O)=C1 F17903 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 BrC1=C(Br)C=NN=C1 AT11972 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 BrC1=CN=CN=C1I P11647 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 CC1=CC=NNC1=O 20227 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.5 CC1=CN=NC=C1C C15709 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [1,1,0,0,0,0|0,0,1]=3 276 B8R1.5 ClC1=C(Cl)C=NN=C1 S10980 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.5 O=C1NC=NC=C1Cl P12334 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.5 O=C1NC=NC=C1I P13009 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.5 OC1=C(O)C=NN=C1 S10982 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.5 S=C1C=CNC=C1Cl AT18152 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.1 BrCC1=CC(Br)=NO1 69283 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,1,0|2,0,0]=4 298 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,1,0|2,0,0]=4 316 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|1,0,0]=3 321 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,1,0|1,0,0]=3 322 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,1,0|1,0,0]=3 323 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,1,0|1,0,0]=3 324 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,1,0|1,0,0]=3 325 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|1,0,0]=3 327 B8R1.1 CCC1=NN=C(Br)N1 AT12502 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.1 CCC1=NN=C(Br)S1 AT18854 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.1 CCC1=NN=C(Cl)N1 AT12315 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.1 CCC1=NN=C(Cl)S1 AT18983 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.1 CCC1=NN=C(N)N1 AT12223 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.1 CCC1=NN=C(N)O1 VT1414 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.1 CCC1=NN=C(O)O1 AT18768 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.1 CCC1=NN=C(S)S1 AT18942 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.1 CCC1=NSC(Br)=N1 AT11967 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.1 CCN1C=C(I)C=N1 77861 [0,1,0,0,1,0|1,0,0]=3 339 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,1,0|1,0,0]=3 340 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,1,0|1,0,0]=3 341 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,1,0|1,0,0]=3 342 B8R1.1 CCN1C=NC(Br)=N1 AT11956 [0,1,0,0,1,0|2,0,0]=4 343 B8R1.1 CCN1C=NC(I)=C1 S10075 [0,1,0,0,1,0|1,0,0]=3 344 B8R1.1 CCN1C=NC(N)=N1 AT11934 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.1 CCN1C=NC(N)=N1 AT11937 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.1 CCN1N=CC(N)=N1 AT11960 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.1 CN1C=C(CBr)C=N1 P19158 [0,1,0,0,1,0|2,0,0]=4 348 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,1,0|1,0,1]=4 351 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,1,0|2,0,0]=4 356 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,1,0|2,0,0]=4 357 B8R1.1 COC1=CC(N)=NN1 76300 [0,1,0,0,1,0|2,0,0]=4 358 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|2,0,0]=4 359 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,1,0|2,0,0]=4 360 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,1,0|2,0,0]=4 361 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|2,0,0]=4 362 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,1,0,0,1,0|2,0,0]=4 363 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,1,0,0,1,0|2,0,0]=4 365 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,1,0|2,0,0]=4 366 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,1,0,0,1,0|2,0,0]=4 367 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.1 ClCC1=CC(Br)=NO1 69282 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,1,0,0,1,0|2,0,0]=4 372 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,1,0,0,1,0|2,0,0]=4 373 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,1,0,0,1,0|2,0,0]=4 374 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,1,0,0,1,0|2,0,0]=4 375 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,1,0,0,1,0|2,0,0]=4 376 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,1,0,0,1,0|1,0,1]=4 377 B8R1.1 NCC1=CC(Br)=NO1 25297 [0,1,0,0,1,0|2,0,0]=4 378 B8R1.1 NCC1=CC(Br)=NO1 69284 [0,1,0,0,1,0|2,0,0]=4 379 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,1,0,0,1,0|2,0,0]=4 380 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,1,0|2,0,0]=4 381 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,1,0,0,1,0|2,0,0]=4 385 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,1,0,0,1,0|2,0,0]=4 386 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,1,0,0,1,0|2,0,0]=4 387 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,1,0|2,0,0]=4 391 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,1,0|2,0,0]=4 393 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,1,0|2,0,0]=4 394 B8R1.1 OCC1=NNC(O)=C1 C90528 [0,1,0,0,1,0|2,0,0]=4 395 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,1,0,0,1,0|1,0,1]=4 396 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,1,0,0,1,0|1,0,1]=4 397 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,1,0,0,1,0|1,0,1]=4 398 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,1,0,0,1,0|1,0,1]=4 399 B8R1.7 CC(C)C1=NN=CN1 AT12319 [0,1,0,0,1,0|2,0,0]=4 400 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,0,1,0|1,0,0]=3 401 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,0,1,0|1,0,0]=3 402 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,0,1,0|1,0,0]=3 403 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,1,0,0,1,0|1,0,0]=3 404 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,1,0,0,1,0|1,0,0]=3 405 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,1,0,0,1,0|1,0,0]=3 406 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,0,1,0|1,0,0]=3 407 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,0,1,0|1,0,0]=3 408 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,0,1,0|1,0,0]=3 409 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,1,0,0,1,0|1,0,0]=3 410 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,1,0,0,1,0|1,0,0]=3 411 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,1,0,0,1,0|1,0,0]=3 412 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,1,0,0,1,0|1,0,0]=3 413 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,1,0,0,1,0|1,0,0]=3 414 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,1,0,0,1,0|1,0,0]=3 415 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,1,0,0,1,0|1,0,0]=3 416 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [0,1,0,0,1,0|2,0,0]=4 417 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [0,1,0,0,1,0|2,0,0]=4 418 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,0,1,0|1,0,0]=3 419 B8R1.7 C[C@H](N)C1=NNC=N1 AC8934 [0,1,0,0,1,0|2,0,0]=4 420 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,0,1,0|1,0,0]=3 421 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,0,1,0|1,0,0]=3 422 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,0,1,0|1,0,0]=3 423 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,1,0,0,1,0|1,0,0]=3 424 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,1,0,0,1,0|1,0,0]=3 425 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,1,0,0,1,0|1,0,0]=3 426 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,0,1,0|1,0,0]=3 427 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,0,1,0|1,0,0]=3 428 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,0,1,0|1,0,0]=3 429 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,0,1,0|1,0,0]=3 430 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,0,1,0|1,0,0]=3 431 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,0,1,0|1,0,0]=3 432 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,0,1,0|1,0,0]=3 433 B8R1.7 C[C@H](O)C1=NN=CN1 AT21384 [0,1,0,0,1,0|2,0,0]=4 434 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,0,1,0|1,0,0]=3 435 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,0,1,0|1,0,0]=3 436 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,0,1,0|1,0,0]=3 437 B8R1.7 FC(F)N1C=CC=N1 AT12045 [0,1,0,0,1,0|2,0,0]=4 438 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,0,1,0|1,0,0]=3 439 B8R1.8 BrCCC1=CNN=C1 F14413 [0,1,0,0,1,0|1,0,0]=3 440 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,1,0,0,1,0|2,0,0]=4 441 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,1,0,0,1,0|2,0,0]=4 442 B8R1.8 CCNC1=NC=NN1 AT21327 [0,1,0,0,1,0|2,0,0]=4 443 B8R1.8 CCNC1=NN=CO1 AT18792 [0,1,0,0,1,0|2,0,0]=4 444 B8R1.8 CNCC1=CC=NN1 27042 [0,1,0,0,1,0|1,0,0]=3 445 B8R1.8 CNCC1=CC=NN1 AT10969 [0,1,0,0,1,0|1,0,0]=3 446 B8R1.8 CNCC1=CN=CS1 71400 [0,1,0,0,1,0|1,0,0]=3 447 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,0,1,0|1,0,0]=3 448 B8R1.8 CNCC1=CSC=N1 AT10976 [0,1,0,0,1,0|1,0,0]=3 449 B8R1.8 CNCC1=CSC=N1 AT14743 [0,1,0,0,1,0|1,0,0]=3 450 B8R1.8 CNCC1=NC=CN1 W10149 [0,1,0,0,1,0|1,0,0]=3 451 B8R1.8 CNCC1=NC=CS1 AT10974 [0,1,0,0,1,0|1,0,0]=3 452 B8R1.8 CNCC1=NNC=C1 F31265 [0,1,0,0,1,0|1,0,0]=3 453 B8R1.8 CNCC1=NOC=C1 AT10962 [0,1,0,0,1,0|1,0,0]=3 454 B8R1.8 COCC1=NC=CN1 P10070 [0,1,0,0,1,0|1,0,0]=3 455 B8R1.8 COCC1=NNC=N1 AT12266 [0,1,0,0,1,0|2,0,0]=4 456 B8R1.8 ClCCC1=CNC=N1 D82567 [0,1,0,0,1,0|1,0,0]=3 457 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,1,0,0,1,0|1,0,0]=3 458 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,1,0,0,1,0|1,0,1]=4 459 B8R1.8 N#CCC1=CN=CS1 97777 [0,1,0,0,1,0|1,0,1]=4 460 B8R1.8 N#CCC1=CON=C1 AT21053 [0,1,0,0,1,0|1,0,1]=4 461 B8R1.8 N#CCC1=NC=CN1 F17294 [0,1,0,0,1,0|1,0,1]=4 462 B8R1.8 N#CCN1C=CC=C1 F50604 [0,1,0,0,1,0|1,0,1]=4 463 B8R1.8 NCCC1=CN=CN1 S10979 [0,1,0,0,1,0|1,0,0]=3 464 B8R1.8 NCCC1=CNN=C1 AC1363 [0,1,0,0,1,0|1,0,0]=3 465 B8R1.8 NCCC1=CNN=C1 D85886 [0,1,0,0,1,0|1,0,0]=3 466 B8R1.8 NCCC1=COC=N1 AT18667 [0,1,0,0,1,0|1,0,0]=3 467 B8R1.8 NCCC1=NC=CS1 F51904 [0,1,0,0,1,0|1,0,0]=3 468 B8R1.8 NCCC1=NNC=C1 AC2815 [0,1,0,0,1,0|1,0,0]=3 469 B8R1.8 NCCN1C=CC=N1 AT10968 [0,1,0,0,1,0|1,0,0]=3 470 B8R1.8 NCCN1C=CN=N1 C90622 [0,1,0,0,1,0|2,0,0]=4 471 B8R1.8 NCCN1C=NN=C1 AT12145 [0,1,0,0,1,0|2,0,0]=4 472 B8R1.8 NNCC1=CC=CS1 P10519 [0,1,0,0,1,0|2,0,0]=4 473 B8R1.8 NNCC1=CSC=C1 P10771 [0,1,0,0,1,0|2,0,0]=4 474 B8R1.8 O=CCC1=CC=CS1 O10539 [0,1,0,0,1,0|1,0,1]=4 475 B8R1.8 O=CCC1=NC=CS1 D88143 [0,1,0,0,1,0|1,0,1]=4 476 B8R1.8 OCCN1C=CN=N1 N16844 [0,1,0,0,1,0|2,0,0]=4 477 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,1,0|2,0,0]=4 478 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,1,0,0,1,0|2,0,0]=4 479 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,0,1,0|2,0,0]=4 480 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,1,0,0,1,0|2,0,0]=4 481 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,1,0,0,1,0|2,0,0]=4 482 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,1,0,0,1,0|2,0,0]=4 483 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,1,0,0,1,0|2,0,0]=4 484 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,1,0|2,0,0]=4 485 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,1,0|2,0,0]=4 486 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,1,0|2,0,0]=4 487 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,0,1,0|2,0,0]=4 488 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,0,1,0|2,0,0]=4 489 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,1,0,0,1,0|2,0,0]=4 490 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,1,0,0,1,0|2,0,0]=4 491 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,1,0,0,1,0|2,0,0]=4 494 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,1,0|2,0,0]=4 495 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,1,0|2,0,0]=4 496 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,1,0|2,0,0]=4 498 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,1,0|2,0,0]=4 499 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,1,0|2,0,0]=4 500 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.11 CC1=NOC=C1CCl AT19032 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,1,0|2,0,0]=4 503 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,0,1,0|1,0,0]=3 504 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,0,1,0|1,0,0]=3 505 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,1,0|1,0,0]=3 506 B8R1.11 CCC1=CNN=C1N 24047 [0,1,0,0,1,0|1,0,0]=3 507 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,1,0|1,0,0]=3 508 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,1,0|1,0,0]=3 509 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,1,0|1,0,0]=3 510 B8R1.11 CCN1C=CN=C1N AT15605 [0,1,0,0,1,0|1,0,0]=3 511 B8R1.11 CCN1C=NN=C1Br AT11957 [0,1,0,0,1,0|2,0,0]=4 512 B8R1.11 CCN1C=NN=C1N AT12370 [0,1,0,0,1,0|2,0,0]=4 513 B8R1.11 CCN1C=NN=C1O AT21266 [0,1,0,0,1,0|2,0,0]=4 514 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,1,0|1,0,0]=3 515 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,1,0|1,0,0]=3 516 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,1,0|1,0,0]=3 517 B8R1.11 CCN1N=CN=C1N AT12360 [0,1,0,0,1,0|2,0,0]=4 518 B8R1.11 CCN1N=CN=C1N AT12361 [0,1,0,0,1,0|2,0,0]=4 519 B8R1.11 CN1C=CN=C1CBr AT15680 [0,1,0,0,1,0|2,0,0]=4 520 B8R1.11 CN1C=CN=C1CN AT15625 [0,1,0,0,1,0|2,0,0]=4 521 B8R1.11 CN1C=NC=C1CBr O11296 [0,1,0,0,1,0|2,0,0]=4 522 B8R1.11 CN1C=NC=C1CCl 94781 [0,1,0,0,1,0|2,0,0]=4 523 B8R1.11 CN1N=CC=C1CBr AT15925 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,1,0|2,0,0]=4 525 B8R1.11 CNC1=CN=CN1C 98139 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,1,0|2,0,0]=4 528 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,1,0|2,0,0]=4 530 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,1,0|2,0,0]=4 531 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|2,0,0]=4 532 B8R1.11 COC1=C(N)NN=C1 AT12746 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.11 ClCC1=C(Br)SC=N1 AT14723 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,1,0|2,0,0]=4 538 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,1,0|2,0,0]=4 540 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,1,0|2,0,0]=4 541 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,1,0,0,1,0|2,0,0]=4 543 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,1,0,0,1,0|2,0,0]=4 544 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,1,0|2,0,0]=4 545 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,1,0|2,0,0]=4 546 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [0,2,0,0,0,0|0,0,1]=3 549 B10R1.1 CC1=NC=C(CC#N)C=N1 93158 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [0,2,0,0,0,0|0,0,2]=4 552 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.1 N#CCC1=CN=C(Cl)C=N1 95162 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,2,0,0,0,0|1,0,0]=3 560 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,2,0,0,0,0|0,0,0]=2 565 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,2,0,0,0,0|0,0,0]=2 566 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.3 C#CC1=CN=C(C#N)C=C1 94415 [0,2,0,0,0,0|0,0,2]=4 569 B10R1.3 C#CC1=NC=C(C#N)C=C1 94413 [0,2,0,0,0,0|1,0,1]=4 570 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,2,0,0,0,0|0,0,2]=4 571 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,2,0,0,0,0|0,0,0]=2 572 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,2,0,0,0,0|0,0,0]=2 573 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,2,0,0,0,0|0,0,0]=2 574 B10R1.3 CCC1=NC=C(CN)C=N1 81406 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.3 COC1=NC=C(NN)N=C1 BL010282 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.3 CSC1=NC=C(CBr)C=N1 AC5893 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.3 N#CC1=NC=C(CN)C=C1 20809 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.3 N#CC1=NC=C(CN)C=C1 AT18624 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.3 N#CC1=NC=C(CN)C=N1 S11351 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.3 N#CC1=NC=C(CO)C=C1 87746 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,2,0,0,0,0|1,0,1]=4 601 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,2,0,0,0,0|1,0,1]=4 602 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.13 CC1=CC=C(N(C)N)N=N1 20185 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,2,0,0,0,0|1,0,1]=4 607 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,2,0,0,0,0|0,0,0]=2 608 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,2,0,0,0,0|0,0,0]=2 609 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,2,0,0,0,0|0,0,0]=2 618 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,2,0,0,0,0|0,0,0]=2 624 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.13 NC1=NC=C(C(F)F)C=C1 W16938 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.13 NC1=NN=C(C(F)F)C=C1 A12139 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.25 C#CC1=C(C)N=C(F)C=C1 AT20062 [0,2,0,0,0,0|0,0,2]=4 630 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.25 CC1=C(CN)C=NC(N)=N1 C15221 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [0,2,0,0,0,0|1,0,1]=4 639 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.25 CC1=CC(N)=C(C#N)C=N1 P18774 [0,2,0,0,0,0|1,0,1]=4 643 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.25 CC1=CC=C(C#N)C(S)=N1 94430 [0,2,0,0,0,0|1,0,1]=4 646 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.25 CC1=NC(N)=C(C#N)C=C1 P17376 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.25 CC1=NC(N)=C(CCl)C=N1 H11127 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.25 CC1=NC=C(CO)C(O)=N1 C76221 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.25 CCN1C=CC(=O)NC1=O AT19350 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.25 CCN1C=CC(N)=CC1=O P12616 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [0,2,0,0,0,0|1,0,0]=3 659 B10R1.25 CNC1=CN=C(Br)C=C1N 53659 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.25 COC1=CN=C(N)N=C1Cl 27307 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.25 FC1=CC(I)=C(CBr)C=N1 W17121 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.25 N#CC1=C(F)N=C(Cl)C=C1 72893 [0,2,0,0,0,0|1,0,1]=4 673 B10R1.25 N#CC1=CC=C(F)N=C1F AT10588 [0,2,0,0,0,0|1,0,1]=4 674 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.25 NC1=NC(N)=C(CO)C=N1 C15785 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.25 NCC1=C(N)N=C(N)N=C1 C15813 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [0,2,0,0,0,0|1,0,1]=4 690 B10R1.25 OCC1=C(Cl)N=C(Br)C=C1 AT21654 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [0,2,0,0,0,0|1,0,0]=3 703 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.176 CN1C=C(CN)C=CC1=O P11875 [0,2,0,0,0,0|1,0,1]=4 709 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.176 COC1=CC(I)=C(Cl)N=N1 A12169 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.176 COC1=NN=C(Cl)C(C)=C1 C16632 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.176 N#CC1=CC(F)=C(N)N=C1 AT15538 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.176 N#CC1=CC(I)=C(O)N=C1 AT24074 [0,2,0,0,0,0|1,0,1]=4 726 B10R1.176 NC1=C(Cl)C=C(CO)C=N1 AT11640 [0,2,0,0,0,0|1,0,0]=3 727 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.176 NCC1=CN=C(Br)C(Cl)=C1 Y11680 [0,2,0,0,0,0|1,0,0]=3 729 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AC7185 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.176 OCC1=CN=C(Br)C(Cl)=C1 AT10810 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 D88117 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.2 CC1=C(CCl)C=CC=[N+]1[O-] 96309 [0,2,0,0,0,0|1,0,1]=4 734 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,2,0,0,0,0|1,0,0]=3 739 B10R1.2 CCN1C=CC=C(N)C1=O AT19274 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.2 CN1C=CC=C(CN)C1=O P11876 [0,2,0,0,0,0|1,0,1]=4 741 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.2 CNC1=CN=CC(Br)=C1C AT12945 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.2 COC1=CC=C[N+]([O-])=C1Cl F18647 [0,2,0,0,0,0|1,0,1]=4 748 B10R1.2 COC1=CN=CC(F)=C1N 93259 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.2 N#CC1=CN=CC(Br)=C1N C15016 [0,2,0,0,0,0|1,0,1]=4 752 B10R1.2 N#CC1=CN=CC(I)=C1Cl 88911 [0,2,0,0,0,0|1,0,1]=4 753 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.2 O=CC1=CN=CC(F)=C1Cl 66141 [0,2,0,0,0,0|1,0,1]=4 756 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.2 OCC1=CN=CC(Br)=C1Cl AT15942 [0,2,0,0,0,0|1,0,0]=3 758 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|1,0,0]=3 759 B10R1.8 CNC1=CC(I)=CC(Br)=C1 F14267 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.8 FCC1=CC(Br)=CC(F)=C1 94378 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.8 FCC1=CC(I)=CC(F)=C1 94383 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.8 OCC1=CC(I)=CC(F)=C1 94382 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.8 OCC1=CC(S)=CC(S)=C1 F19554 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.10 CC1=CC(CC#N)=NN=C1 C92375 [0,2,0,0,0,0|1,0,1]=4 766 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,2,0,0,0,0|1,0,1]=4 767 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,2,0,0,0,0|1,0,0]=3 770 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,2,0,0,0,0|1,0,0]=3 771 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,2,0,0,0,0|1,0,0]=3 772 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,2,0,0,0,0|1,0,0]=3 773 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [0,2,0,0,0,0|0,0,1]=3 781 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,2,0,0,0,0|1,0,0]=3 782 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [0,2,0,0,0,0|1,0,0]=3 783 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,2,0,0,0,0|1,0,1]=4 786 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.30 C#CC1=CC(Cl)=CN=C1N 76271 [0,2,0,0,0,0|0,0,2]=4 790 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [0,2,0,0,0,0|2,0,0]=4 793 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.30 CC1=CN=C(Cl)C(C#N)=C1 94431 [0,2,0,0,0,0|1,0,1]=4 795 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [0,2,0,0,0,0|1,0,0]=3 796 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [0,2,0,0,0,0|1,0,0]=3 797 B10R1.30 CC1=NC=C(F)C=C1C=O C16838 [0,2,0,0,0,0|1,0,1]=4 798 B10R1.30 CCC1=C(Br)C=NC(Cl)=C1 AT13829 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|1,0,0]=3 800 B10R1.30 CCC1=CC(Br)=NC=C1N 51679 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.30 CCN1C=C(N)C=CC1=O AT19278 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.30 CNC1=CC(Cl)=NN=C1Cl AT14215 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [0,2,0,0,0,0|1,0,0]=3 809 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.30 N#CC1=CC(F)=CN=C1O AT21103 [0,2,0,0,0,0|1,0,1]=4 812 B10R1.30 NC1=CN=C(Cl)C(CO)=C1 D88075 [0,2,0,0,0,0|1,0,0]=3 813 B10R1.30 NC1=NC=C(Br)C=C1C=O N10755 [0,2,0,0,0,0|1,0,1]=4 814 B10R1.30 NC1=NC=C(Br)C=C1CO 26758 [0,2,0,0,0,0|1,0,0]=3 815 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [0,2,0,0,0,0|2,0,0]=4 816 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [0,2,0,0,0,0|2,0,0]=4 820 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [0,2,0,0,0,0|2,0,0]=4 821 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [0,2,0,0,0,0|1,0,0]=3 823 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [0,2,0,0,0,0|1,0,0]=3 824 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [0,2,0,0,0,0|1,0,0]=3 825 B10R1.30 O=CC1=CC(Br)=CN=C1Br FD10640 [0,2,0,0,0,0|1,0,1]=4 826 B10R1.30 O=CC1=CC(F)=CN=C1F AT10064 [0,2,0,0,0,0|1,0,1]=4 827 B10R1.30 OCC1=CC(Br)=CN=C1F P11806 [0,2,0,0,0,0|1,0,0]=3 828 B10R1.30 OCC1=CC(F)=CN=C1Cl 85046 [0,2,0,0,0,0|1,0,0]=3 829 B10R1.30 OCC1=CC(F)=CN=C1F AT10048 [0,2,0,0,0,0|1,0,0]=3 830 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,2,0,0,0,0|1,0,1]=4 832 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,2,0,0,0,0|1,0,1]=4 833 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 D71924 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|1,0,0]=3 835 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,2,0,0,0,0|1,0,0]=3 838 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,2,0,0,0,0|1,0,0]=3 839 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,2,0,0,0,0|1,0,0]=3 840 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,2,0,0,0,0|0,0,0]=2 842 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 AC3205 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,2,0,0,0,0|0,0,0]=2 844 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,2,0,0,0,0|0,0,0]=2 845 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,2,0,0,0,0|0,0,0]=2 846 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,2,0,0,0,0|1,0,0]=3 849 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,2,0,0,0,0|1,0,0]=3 850 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,2,0,0,0,0|1,0,0]=3 852 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,2,0,0,0,0|0,0,0]=2 856 B10R1.113 C[C@H](O)C1=CC(N)=NC=C1 CS1317 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|2,0,0]=4 859 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,2,0,0,0,0|2,0,0]=4 861 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.113 FC(F)C1=CC=CC(S)=C1 97706 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.113 NC1=CC(B(O)O)=CN=C1 AT14947 [0,2,0,0,0,0|2,0,0]=4 866 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.172 BrCC1=CN=CC(CBr)=C1 C11061 [0,2,0,0,0,0|1,0,0]=3 868 B10R1.172 BrCC1=CN=CC(CBr)=C1 F30548 [0,2,0,0,0,0|1,0,0]=3 869 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|1,0,0]=3 871 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|1,0,0]=3 875 B10R1.172 COC1=CC(OC)=NN=C1 C73963 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.172 COC1=NC(NN)=CN=C1 BL010288 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.172 CSC1=CN=CC(SC)=C1 H11054 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,2,0,0,0,0|1,0,0]=3 882 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,2,0,0,0,0|0,0,1]=3 883 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,2,0,0,0,0|1,0,1]=4 884 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,2,0,0,0,0|1,0,0]=3 887 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,2,0,0,0,0|1,0,0]=3 889 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,2,0,0,0,0|1,0,0]=3 890 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,2,0,0,0,0|1,0,0]=3 891 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,2,0,0,0,0|1,0,1]=4 892 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,2,0,0,0,0|1,0,0]=3 893 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,2,0,0,0,0|1,0,0]=3 894 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,2,0,0,0,0|1,0,0]=3 897 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,2,0,0,0,0|1,0,0]=3 898 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,2,0,0,0,0|0,0,1]=3 899 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,2,0,0,0,0|0,0,1]=3 900 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,2,0,0,0,0|0,0,0]=2 902 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [0,2,0,0,0,0|2,0,0]=4 903 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [0,2,0,0,0,0|2,0,0]=4 904 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,2,0,0,0,0|0,0,0]=2 905 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,2,0,0,0,0|2,0,0]=4 907 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,2,0,0,0,0|2,0,0]=4 908 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,2,0,0,0,0|0,0,1]=3 909 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,2,0,0,0,0|0,0,0]=2 910 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,2,0,0,0,0|1,0,0]=3 912 B10R1.28 ClC(Cl)(Cl)C1=CN=CC=C1 C71811 [0,2,0,0,0,0|1,0,0]=3 913 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 36909 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,2,0,0,0,0|1,0,0]=3 915 B10R1.28 [2H]C([2H])(Br)C1=CC=CC=C1 D99472 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,2,0,0,0,0|1,0,0]=3 917 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 AT24168 [0,2,0,0,0,0|2,0,0]=4 918 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,2,0,0,0,0|1,0,0]=3 919 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,2,0,0,0,0|1,0,1]=4 920 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,2,0,0,0,0|0,0,1]=3 921 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,2,0,0,0,0|0,0,1]=3 922 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,2,0,0,0,0|1,0,1]=4 923 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,2,0,0,0,0|0,0,2]=4 924 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,2,0,0,0,0|1,0,1]=4 925 B10R1.61 CC(C)C1=CN=CN=C1Cl H10240 [0,2,0,0,0,0|1,0,0]=3 926 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,2,0,0,0,0|1,0,0]=3 927 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,2,0,0,0,0|1,0,0]=3 928 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,2,0,0,0,0|1,0,0]=3 929 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,2,0,0,0,0|1,0,0]=3 931 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,2,0,0,0,0|1,0,0]=3 932 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.61 C[C@H](N)C1=C(Cl)C=NC=C1 N14402 [0,2,0,0,0,0|2,0,0]=4 934 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,2,0,0,0,0|0,0,0]=2 936 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,2,0,0,0,0|0,0,0]=2 937 B10R1.61 FC(F)C1=CC=CN=C1Br 79327 [0,2,0,0,0,0|1,0,0]=3 938 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,2,0,0,0,0|1,0,1]=4 939 B10R1.61 NC(=S)C1=CC=CN=C1Cl 31340 [0,2,0,0,0,0|1,0,1]=4 940 B10R1.61 NC1=C(B(O)O)C=NC=C1 AT12798 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,2,0,0,0,0|1,0,1]=4 942 B10R1.61 O=[N+]([O-])C1=CC=CN=C1I AB10380 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S T72399 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.61 OB(O)C1=C(Br)C=CN=C1 FD10196 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 AT14944 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.61 OB(O)C1=C(F)C=CN=C1 FD10200 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [0,2,0,0,0,0|1,0,1]=4 948 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,2,0,0,0,0|1,0,0]=3 952 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,2,0,0,0,0|0,0,0]=2 953 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,2,0,0,0,0|1,0,0]=3 955 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,2,0,0,0,0|0,0,0]=2 956 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [0,2,0,0,0,0|1,0,0]=3 958 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,2,0,0,0,0|0,0,0]=2 959 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,2,0,0,0,0|1,0,0]=3 960 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,2,0,0,0,0|1,0,0]=3 964 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,2,0,0,0,0|0,0,0]=2 965 B10R1.4 NCCN1C=CC=CC1=O F15207 [0,2,0,0,0,0|2,0,0]=4 966 B10R1.4 NCCN1C=CC=NC1=O AT13871 [0,2,0,0,0,0|1,0,0]=3 967 B10R1.4 NCCN1C=NC=CC1=O AT13878 [0,2,0,0,0,0|1,0,0]=3 968 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [0,2,0,0,0,0|2,0,0]=4 970 B10R1.4 O=C1C=CN=CN1CCO AT13876 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [0,2,0,0,0,0|1,0,1]=4 972 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,2,0,0,0,0|0,0,0]=2 975 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,2,0,0,0,0|1,0,0]=3 978 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,2,0,0,0,0|1,0,1]=4 980 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,2,0,0,0,0|1,0,0]=3 982 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,2,0,0,0,0|1,0,1]=4 984 B10R1.17 OCCCC1=CCC=CC1 72320 [0,2,0,0,0,0|1,0,1]=4 985 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,2,0,0,0,0|0,0,0]=2 986 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,2,0,0,0,0|0,0,0]=2 988 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,2,0,0,0,0|1,0,1]=4 990 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,2,0,0,0,0|1,0,1]=4 991 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,2,0,0,0,0|1,0,0]=3 995 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,2,0,0,0,0|1,0,0]=3 996 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,2,0,0,0,0|0,0,0]=2 997 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,2,0,0,0,0|1,0,1]=4 998 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,2,0,0,0,0|1,0,1]=4 999 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,2,0,0,0,0|0,0,0]=2 1001 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [0,2,0,0,0,0|1,0,0]=3 1003 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [0,2,0,0,0,0|1,0,0]=3 1005 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,2,0,0,0,0|1,0,0]=3 1006 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [0,2,0,0,0,0|1,0,0]=3 1007 B10R1.20 COC1=C(NN)C=CC=C1 71208 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [0,2,0,0,0,0|1,0,0]=3 1009 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,2,0,0,0,0|1,0,0]=3 1010 B10R1.20 COC1=NC=CC=C1CN 36590 [0,2,0,0,0,0|1,0,0]=3 1011 B10R1.20 COC1=NC=CN=C1C=O P10873 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.20 COC1=NC=CN=C1CN C71765 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.20 N#CC1=C(C=O)C=CC=N1 P10442 [0,2,0,0,0,0|1,0,1]=4 1014 B10R1.20 N#CC1=C(C=O)C=NC=C1 P12254 [0,2,0,0,0,0|1,0,1]=4 1015 B10R1.20 N#CC1=C(CCl)C=CN=C1 AT18188 [0,2,0,0,0,0|1,0,1]=4 1016 B10R1.20 N#CC1=CC=CN=C1C=O P10836 [0,2,0,0,0,0|1,0,1]=4 1017 B10R1.20 N#CC1=NC=CC=C1CN 92898 [0,2,0,0,0,0|1,0,0]=3 1018 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,2,0,0,0,0|1,0,0]=3 1019 B10R1.245 CC1=C(C#N)C(S)=NC=C1 51819 [0,2,0,0,0,0|1,0,1]=4 1020 B10R1.245 CC1=C(C=O)C(F)=NC=C1 AT13974 [0,2,0,0,0,0|1,0,1]=4 1021 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [0,2,0,0,0,0|1,0,1]=4 1022 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [0,2,0,0,0,0|2,0,0]=4 1024 B10R1.245 CC1=NC=NC(C)=C1CO P11861 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.245 CNC1=C(Cl)N=CN=C1Cl W16887 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.245 COC1=C(C)N=CN=C1Cl AT18342 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,2,0,0,0,0|1,0,0]=3 1028 B10R1.245 COC1=C(Cl)C=NN=C1Cl C15367 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,2,0,0,0,0|1,0,0]=3 1031 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,2,0,0,0,0|1,0,0]=3 1032 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,2,0,0,0,0|1,0,0]=3 1034 B10R1.245 COC1=C(O)N=CN=C1O F12218 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.245 N#CC1=C(F)C=CN=C1Cl O10723 [0,2,0,0,0,0|1,0,1]=4 1036 B10R1.245 N#CC1=C(I)C=CN=C1F 90730 [0,2,0,0,0,0|1,0,1]=4 1037 B10R1.245 NC1=C(C=O)C(F)=NC=C1 O11152 [0,2,0,0,0,0|1,0,1]=4 1038 B10R1.245 NCC1=C(Cl)C=CN=C1N 81939 [0,2,0,0,0,0|1,0,0]=3 1039 B10R1.245 O=CC1=C(F)C=CN=C1F 74527 [0,2,0,0,0,0|1,0,1]=4 1040 B10R1.245 OCC1=C(Br)C=CC=C1Cl C91616 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.245 OCC1=C(Br)C=CC=C1O 75753 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.245 OCC1=C(Cl)N=CN=C1Cl 94183 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.245 OCC1=C(I)C=CN=C1Cl 77407 [0,2,0,0,0,0|1,0,0]=3 1044 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [0,1,0,1,0,0|2,0,0]=4 1045 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,1,0,1,0,0|1,0,0]=3 1046 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,1,0,1,0,0|2,0,0]=4 1047 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [0,1,0,1,0,0|2,0,0]=4 1048 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [0,1,0,1,0,0|0,0,2]=4 1049 B10R2.7 C1=CC2=C(C=N1)NN=C2 W10136 [0,1,0,1,0,0|1,0,1]=4 1050 B10R2.7 C1=CC2=NNC=C2N=C1 F18246 [0,1,0,1,0,0|1,0,1]=4 1051 B10R2.7 C1=CC2=NSN=C2C=N1 AC5756 [0,1,0,1,0,0|2,0,0]=4 1052 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,1,0,1,0,0|1,0,0]=3 1053 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,1,0,1,0,0|0,0,0]=2 1054 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,1,0,1,0,0|1,0,0]=3 1055 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,1,0,1,0,0|1,0,0]=3 1056 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,1,0,1,0,0|1,0,0]=3 1057 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,1,0|2,0,0]=4 1058 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|1,0,0]=3 1059 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 1060 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 1061 B6R1.2 ClC1=CSN=C1 F13704 [1,0,0,0,1,0|2,0,0]=4 1062 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 1063 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 1064 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 1065 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 1066 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,1,0|2,0,0]=4 1067 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|2,0,0]=4 1068 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|2,0,0]=4 1069 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|2,0,0]=4 1070 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,1,0|2,0,0]=4