0 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,0,0,0,0,0|4,0,0]=4 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|2,0,1]=3 3 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.2 CNC1=CC=CN=N1 79165 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 CSC1=NC=CC=N1 O10841 [0,0,0,0,0,0|2,1,0]=3 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|4,0,0]=4 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 SCC1=NC=CN=C1 78318 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 ClC1=CN=NC=C1 F19795 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 FC1=CN=CN=C1 F14737 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 O=C1C=NN=CN1 F30273 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 OC1=CN=NCC1 S11490 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|2,1,0]=4 22 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 C#CC1=CN=C(Br)C=N1 AC9603 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 CNC1=NC=C(Cl)C=N1 AT18415 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,0|2,0,0]=3 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|0,0,0]=1 37 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [0,1,0,0,0,0|2,1,0]=4 40 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,0|1,1,0]=3 41 B9R1.1 CSC1=NC=C(N)N=C1 92096 [0,1,0,0,0,0|0,1,0]=2 42 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,1,0,0,0,0|2,1,0]=4 43 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,0|2,1,0]=4 44 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 NNC1=CN=C(Br)C=C1 68947 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 NNC1=CN=C(Br)C=C1 W15223 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.1 NNC1=NC=C(I)C=C1 C91520 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|1,1,0]=3 72 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,0|0,1,0]=2 73 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,0|2,1,0]=4 74 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|1,1,0]=3 75 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.6 O=C([O-])C1=NN=CC=N1 D72030 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.8 BrC#CC1=CN=CC=C1 50128 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.8 CNCC1=CN=CN=C1 38577 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.8 CNCC1=NC=CC=N1 27199 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.8 CNCC1=NC=CC=N1 72796 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.8 FCCC1=CC=CC=C1 75534 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.8 NCCC1=NC=CC=N1 83201 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.15 C#CC1=C(C)C=CN=C1 AT12962 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.15 C#CC1=CC=CN=C1N 72370 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [0,1,0,0,0,0|1,0,1]=3 131 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.15 CCC1=CN=CN=C1O C15413 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.15 COC1=CC=NNC1=O 76149 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.15 COC1=CN=CN=C1Br O11184 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.15 N#CC1=C(S)C=CN=C1 C77520 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.15 NNC1=CC=CN=C1Cl D76828 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.3 COC(=O)\C=C\C=O D90666 [0,0,1,0,0,0|3,0,0]=4 167 B7R1.1 BrCC1=CN=CS1 70967 [0,0,0,0,1,0|3,0,0]=4 168 B7R1.1 BrCC1=CNC=N1 AT15560 [0,0,0,0,1,0|2,0,1]=4 169 B7R1.1 BrCC1=COC=N1 F13651 [0,0,0,0,1,0|3,0,0]=4 170 B7R1.1 BrCC1=CSC=N1 70966 [0,0,0,0,1,0|3,0,0]=4 171 B7R1.1 BrCC1=NSN=C1 AT12137 [0,0,0,0,1,0|3,0,0]=4 172 B7R1.1 C=CC1=NC=CS1 C72532 [0,0,0,0,1,0|2,0,1]=4 173 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,0,1,0|2,0,0]=3 174 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,0,1,0|2,0,0]=3 175 B7R1.1 CCC1=NN=CN1 AT12320 [0,0,0,0,1,0|2,0,1]=4 176 B7R1.1 CCN1N=CN=N1 F17210 [0,0,0,0,1,0|3,0,0]=4 177 B7R1.1 CNC1=CNN=C1 AT23101 [0,0,0,0,1,0|2,0,0]=3 178 B7R1.1 CNC1=NC=CS1 H11141 [0,0,0,0,1,0|2,0,0]=3 179 B7R1.1 CNC1=NN=CO1 AT18791 [0,0,0,0,1,0|3,0,0]=4 180 B7R1.1 CNC1=NN=CS1 71255 [0,0,0,0,1,0|3,0,0]=4 181 B7R1.1 COC1=NCCN1 D98226 [0,0,0,0,1,0|0,0,3]=4 182 B7R1.1 COC1=NSC=C1 AT11777 [0,0,0,0,1,0|1,0,0]=2 183 B7R1.1 ClCC1=CN=CS1 F13827 [0,0,0,0,1,0|3,0,0]=4 184 B7R1.1 ClCC1=CNC=N1 70851 [0,0,0,0,1,0|2,0,1]=4 185 B7R1.1 ClCC1=COC=N1 C16353 [0,0,0,0,1,0|3,0,0]=4 186 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,0,1,0|3,0,0]=4 187 B7R1.1 ClCC1=NC=CN1 35198 [0,0,0,0,1,0|2,0,1]=4 188 B7R1.1 ClCC1=NC=CS1 AC6679 [0,0,0,0,1,0|3,0,0]=4 189 B7R1.1 ClCN1C=CC=N1 79341 [0,0,0,0,1,0|3,0,0]=4 190 B7R1.1 N#CC1=CNN=C1 O10410 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.1 NCC1=CC=NN1 P10323 [0,0,0,0,1,0|3,0,0]=4 192 B7R1.1 NCC1=CC=NS1 AT13366 [0,0,0,0,1,0|3,0,0]=4 193 B7R1.1 NCC1=CNC=N1 C90275 [0,0,0,0,1,0|2,0,1]=4 194 B7R1.1 NCC1=CNN=C1 83328 [0,0,0,0,1,0|3,0,0]=4 195 B7R1.1 NCC1=COC=C1 61502 [0,0,0,0,1,0|3,0,0]=4 196 B7R1.1 NCC1=COC=N1 73632 [0,0,0,0,1,0|3,0,0]=4 197 B7R1.1 NCC1=CSN=C1 AT21214 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.1 NCC1=NC=NN1 S10770 [0,0,0,0,1,0|3,0,0]=4 199 B7R1.1 NCC1=NNC=N1 C14327 [0,0,0,0,1,0|3,0,0]=4 200 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,0,1,0|3,0,0]=4 201 B7R1.1 NNC1=CC=CS1 W17128 [0,0,0,0,1,0|3,0,0]=4 202 B7R1.1 NNC1=NC=CN1 25904 [0,0,0,0,1,0|2,0,1]=4 203 B7R1.1 NNC1=NC=CS1 D87841 [0,0,0,0,1,0|3,0,0]=4 204 B7R1.1 O=CC1=CSN=C1 83208 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,0,1,0|2,0,1]=4 206 B7R1.1 OCC1=CC=NN1 H11417 [0,0,0,0,1,0|3,0,0]=4 207 B7R1.1 OCC1=NC=CN1 D72609 [0,0,0,0,1,0|2,0,1]=4 208 B7R1.1 OCC1=NNN=C1 D78628 [0,0,0,0,1,0|3,0,0]=4 209 B7R1.1 OCC1=NON=C1 D74166 [0,0,0,0,1,0|3,0,0]=4 210 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,0,1,0|3,0,0]=4 211 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|2,0,0]=4 213 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|0,0,0]=2 219 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|1,1,0]=4 220 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.4 CC1=CC=NC(I)=N1 N13215 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.4 CC1=NC(N)=CN=N1 D86296 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.4 ClC1=NC(Cl)=NN=C1 F53483 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.4 OC1=CC(I)=CN=C1 D74429 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [1,1,0,0,0,0|1,1,0]=4 229 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.4 [O-][N+]1=CN=CC(O)=C1 F17903 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.5 CC1=CN=NC=C1C C15709 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|0,0,0]=2 234 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|1,1,0]=4 238 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,1,0,0,0,0|1,1,0]=4 241 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.5 OC1=C(O)C=NN=C1 S10982 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|2,0,0]=4 245 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,1,0|2,0,0]=4 246 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,1,0|2,0,0]=4 247 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,1,0|2,0,0]=4 248 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,1,0|1,0,1]=4 249 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [0,1,0,0,1,0|2,0,0]=4 250 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|2,0,0]=4 251 B8R1.1 CCC1=NSC(Br)=N1 AT11967 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.1 CCN1C=C(I)C=N1 77861 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,1,0|2,0,0]=4 254 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,1,0|2,0,0]=4 255 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,1,0|2,0,0]=4 256 B8R1.1 CCN1C=NC(Br)=N1 AT11956 [0,1,0,0,1,0|2,0,0]=4 257 B8R1.1 CCN1C=NC(I)=C1 S10075 [0,1,0,0,1,0|2,0,0]=4 258 B8R1.1 CCN1C=NC(N)=N1 AT11934 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.1 CCN1C=NC(N)=N1 AT11937 [0,1,0,0,1,0|2,0,0]=4 260 B8R1.1 CCN1N=CC(N)=N1 AT11960 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.1 CNC1=NC(N)=NN1 AT21328 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,1,0|2,0,0]=4 263 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,1,0|2,0,0]=4 267 B8R1.1 COC1=CC(N)=NN1 76300 [0,1,0,0,1,0|1,0,0]=3 268 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|1,0,0]=3 269 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,1,0|1,0,0]=3 270 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,1,0|1,0,0]=3 271 B8R1.1 COC1=NC(Br)=NN1 AT12186 [0,1,0,0,1,0|1,0,0]=3 272 B8R1.1 COC1=NC(N)=NN1 AT21267 [0,1,0,0,1,0|1,0,0]=3 273 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|1,0,0]=3 274 B8R1.1 COC1=NN=C(Br)S1 AT11931 [0,1,0,0,1,0|2,0,0]=4 275 B8R1.1 COC1=NN=C(S)S1 AT18847 [0,1,0,0,1,0|2,0,0]=4 276 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,1,0,0,1,0|1,0,0]=3 277 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,1,0|1,0,0]=3 278 B8R1.1 CSC1=NNC(Cl)=N1 AT12265 [0,1,0,0,1,0|1,1,0]=4 279 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,1,0,0,1,0|2,0,0]=4 280 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,1,0,0,1,0|2,0,0]=4 281 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,1,0,0,1,0|1,0,1]=4 288 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,1,0,0,1,0|1,0,1]=4 297 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,1,0,0,1,0|1,0,1]=4 298 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,1,0,0,1,0|1,0,1]=4 299 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.7 C[C@H](N)C1=NNC=N1 AC8934 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,0,1,0|1,0,1]=4 314 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,0,1,0|2,0,0]=4 316 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.8 BrCCC1=CNN=C1 F14413 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.8 CCNC1=NC=NN1 AT21327 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.8 CNCC1=CC=NN1 27042 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.8 CNCC1=CC=NN1 AT10969 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.8 CNCC1=CN=CS1 71400 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.8 CNCC1=CSC=N1 AT10976 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.8 CNCC1=CSC=N1 AT14743 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.8 CNCC1=NC=CN1 W10149 [0,1,0,0,1,0|1,0,1]=4 331 B8R1.8 CNCC1=NC=CS1 AT10974 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.8 CNCC1=NNC=C1 F31265 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.8 CNCC1=NOC=C1 AT10962 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.8 COCC1=NC=CN1 P10070 [0,1,0,0,1,0|0,0,1]=3 335 B8R1.8 COCC1=NNC=N1 AT12266 [0,1,0,0,1,0|1,0,0]=3 336 B8R1.8 ClCCC1=CNC=N1 D82567 [0,1,0,0,1,0|1,0,1]=4 337 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.8 NCCC1=CN=CN1 S10979 [0,1,0,0,1,0|1,0,1]=4 339 B8R1.8 NCCC1=CNN=C1 AC1363 [0,1,0,0,1,0|2,0,0]=4 340 B8R1.8 NCCC1=CNN=C1 D85886 [0,1,0,0,1,0|2,0,0]=4 341 B8R1.8 NCCC1=COC=N1 AT18667 [0,1,0,0,1,0|2,0,0]=4 342 B8R1.8 NCCC1=NC=CS1 F51904 [0,1,0,0,1,0|2,0,0]=4 343 B8R1.8 NCCC1=NNC=C1 AC2815 [0,1,0,0,1,0|2,0,0]=4 344 B8R1.8 NCCN1C=CC=N1 AT10968 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,1,0|2,0,0]=4 348 B8R1.11 CCC1=CNN=C1N 24047 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.11 CCN1C=CN=C1N AT15605 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,1,0|2,0,0]=4 356 B8R1.11 CCN1N=CN=C1N AT12360 [0,1,0,0,1,0|2,0,0]=4 357 B8R1.11 CCN1N=CN=C1N AT12361 [0,1,0,0,1,0|2,0,0]=4 358 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,1,0|2,0,0]=4 359 B8R1.11 CNC1=CN=CN1C 98139 [0,1,0,0,1,0|1,0,1]=4 360 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,1,0|2,0,0]=4 361 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,1,0|1,0,1]=4 362 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|2,0,0]=4 363 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,1,0|1,0,0]=3 364 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,1,0|1,0,0]=3 365 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|1,0,0]=3 366 B8R1.11 COC1=C(N)NN=C1 AT12746 [0,1,0,0,1,0|1,0,0]=3 367 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,2,0,0,0,0|1,0,0]=3 368 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.1 N#CCC1=CN=C(Cl)C=N1 95162 [0,2,0,0,0,0|1,0,1]=4 371 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,2,0,0,0,0|1,0,0]=3 377 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [0,2,0,0,0,0|1,0,0]=3 387 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.3 COC1=NC=C(NN)N=C1 BL010282 [0,2,0,0,0,0|0,0,0]=2 391 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,2,0,0,0,0|1,1,0]=4 395 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [0,2,0,0,0,0|1,0,0]=3 413 B10R1.25 CNC1=CN=C(Br)C=C1C 96211 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.25 CNC1=CN=C(Br)C=C1N 53659 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.25 CNC1=CN=C(Cl)C=C1C 96215 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.25 CNC1=NC=C(Cl)C=C1F N10103 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.25 COC1=CN=C(N)N=C1Cl 27307 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [0,2,0,0,0,0|0,0,0]=2 426 B10R1.25 COC1=NC=C(C)C=C1N D74381 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,2,0,0,0,0|0,0,0]=2 428 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [0,2,0,0,0,0|1,1,0]=4 430 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 E71743 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.25 NNC1=NC=C(Cl)N=C1Br BL010277 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.176 COC1=CC(I)=C(Cl)N=N1 A12169 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.176 COC1=NC(Cl)=C(Br)C=N1 AT18340 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.176 COC1=NC=C(Cl)C(Br)=N1 AT18431 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.176 COC1=NC=C(Cl)C(Cl)=N1 AT18337 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.176 COC1=NN=C(Cl)C(C)=C1 C16632 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.176 COC1=N[N+]([O-])=C(Cl)C=C1 H11059 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.176 CSC1=CC(C)=C(Br)C=N1 AT14153 [0,2,0,0,0,0|1,1,0]=4 448 B10R1.176 CSC1=NC(C)=C(Br)C=C1 AT14158 [0,2,0,0,0,0|1,1,0]=4 449 B10R1.2 CNC1=CN=CC(Br)=C1C AT12945 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.2 COC1=C(Cl)C(N)=NC=N1 AT18433 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,2,0,0,0,0|1,0,0]=3 453 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.2 COC1=CC=C[N+]([O-])=C1Cl F18647 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.2 COC1=CN=CC(F)=C1N 93259 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.2 COC1=NC=NC(Cl)=C1Br C15802 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.2 COC1=NC=NC(O)=C1C C14793 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.8 COC1=CC(I)=CC(Cl)=N1 N10142 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.8 COC1=C[C@@H](C)C=C(C)C1 AC6323 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.8 COC1=NC(C)=CC(C)=N1 H10099 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.8 COC1=NC(I)=CC(I)=N1 97034 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.8 COC1=NC(N)=NC(O)=C1 N11825 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.8 COC1=NC(O)=CC(O)=N1 23223 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.8 COC1=NC(O)=NC(C)=C1 C16076 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.113 CN(C)C1=CC=CC(F)=N1 AT20362 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 C16301 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.172 C#CC1=NC=CC(OC)=N1 84019 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.172 COC1=CC(OC)=NN=C1 C73963 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.172 COC1=NC(C#N)=NC=C1 P11691 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.172 COC1=NC(NN)=CN=C1 BL010288 [0,2,0,0,0,0|0,0,0]=2 526 B10R1.172 COC1=NC(NN)=NC=C1 CS1194 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.172 COC1=NC=NC(CN)=C1 P12885 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.172 CSC1=CN=CC(SC)=C1 H11054 [0,2,0,0,0,0|1,1,0]=4 532 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,2,0,0,0,0|1,0,0]=3 536 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.28 O[B-](O)(O)C1=NC=CN=C1 A51296 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.4 CC1=NC=CN=C1\C=N/O N10113 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,2,0,0,0,0|1,1,0]=4 582 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.20 COC1=C(NN)C=CC=C1 71208 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.20 COC1=NC=CC=C1CN 36590 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.20 COC1=NC=CN=C1C=O P10873 [0,2,0,0,0,0|0,0,0]=2 592 B10R1.20 COC1=NC=CN=C1CN C71765 [0,2,0,0,0,0|0,0,0]=2 593 B10R1.245 COC1=C(C)N=CN=C1Cl AT18342 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.245 COC1=C(Cl)C=NN=C1Cl C15367 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.245 COC1=C(O)N=CN=C1O F12218 [0,2,0,0,0,0|2,0,0]=4 602 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,1,0,1,0,0|2,0,0]=4 603 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,1,0,1,0,0|1,0,0]=3 604 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,1,0,1,0,0|2,0,0]=4 605 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,1,0,1,0,0|1,0,0]=3 606 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,1,0|2,0,0]=4 607 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|1,0,0]=3 608 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 609 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 610 B6R1.2 ClC1=CSN=C1 F13704 [1,0,0,0,1,0|2,0,0]=4 611 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 612 B6R1.2 ClC1=NC=NN1 O11392 [1,0,0,0,1,0|2,0,0]=4 613 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 614 B6R1.2 ClC1=NSN=C1 AT12128 [1,0,0,0,1,0|2,0,0]=4 615 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 616 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 617 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,1,0|2,0,0]=4 618 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|1,0,1]=4 619 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|1,0,0]=3 620 B6R1.2 OC1=NN=CS1 AT18843 [1,0,0,0,1,0|2,0,0]=4 621 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|1,1,0]=4