0 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.4 ClC1=NC(Cl)=NN=C1 F53483 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 [O-][N+]1=CN=CC(O)=C1 F17903 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.3 ClC1=CN=NC=C1 F19795 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 FC1=CN=CN=C1 F14737 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 O=C1C=NN=CN1 F30273 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|3,0,0]=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 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.2 C#CC1=CN=CC(N)=C1 C76102 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|0,0,0]=1 33 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|0,0,0]=1 34 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|0,0,0]=1 35 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.3 CC1=C(F)C=NC=C1O AC4170 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.3 CC1=CN=NC(N)=C1Br AT10447 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.3 ClC1=CN=CC(Br)=C1Br O10907 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.3 FC1=CN=CC(F)=C1Br 24292 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.3 FC1=CN=CC(F)=C1F C76146 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.3 OC1=CN=CC(Br)=C1F N16972 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.34 CC1=CC(F)=NC(N)=N1 92215 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.34 ClC1=CC(I)=CC(Br)=N1 AT13204 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.34 NC1=CC(Br)=CC(F)=N1 E71786 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.69 BrC1=CN=C(Br)C(Br)=N1 I10240 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.69 BrC1=CN=C(I)C(Br)=C1 AT22131 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.69 BrC1=CN=C(I)C(Br)=N1 D80054 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.69 CC1=C(Cl)C=C(Cl)C=N1 61810 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.69 CC1=C(F)N=C(Br)C=C1 AT22416 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.69 CC1=CC(Br)=COC1=O E71746 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.69 CC1=CC(Br)=NN=C1C AT17779 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.69 CC1=CC(C)=C(N)N=N1 A51049 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.69 CC1=CC(Cl)=NN=C1N AT17812 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.69 CC1=CC(I)=C(Br)N=C1 I10150 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.69 CC1=CC(I)=C(Cl)N=C1 I10136 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.69 CC1=CC(S)=C(N)N=N1 P10200 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.69 CC1=CC(S)=NN=C1C AT17808 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.69 CC1=CC=C(Cl)N=C1Br O10690 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.69 CC1=CN=C(N)C(N)=C1 27799 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.69 CC1=NC(Br)=CN=C1Br N13385 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.69 CC1=NC(Cl)=C(I)C=N1 O11217 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.69 CC1=NN(C)C(=O)CC1 N16893 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.69 ClC1=C(Cl)N=C(Br)C=C1 N12997 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.69 ClC1=CC=C(Br)N=C1Br C15980 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.69 FC1=CC(I)=C(Br)N=C1 AT19915 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.69 FC1=CC(I)=C(Cl)N=C1 O10733 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 NC1=C(Cl)C=C(O)C=N1 D87909 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 NC1=C(O)N=CC(Cl)=N1 C91505 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.69 NC1=CC(F)=CN=C1O AT11534 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 NC1=CC=C(F)C(Cl)=N1 91518 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 NC1=CC=C(F)C(F)=N1 N16971 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.69 NC1=CN=C(Cl)C(N)=N1 93309 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.69 NC1=NC(N)=C(Cl)C=C1 D87713 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 NC1=NC=C(Cl)N=C1I N11852 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.69 OC1=C(Cl)N=C(Br)C=C1 F30996 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 OC1=C(I)C=C(F)C=N1 D74689 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 OC1=C(I)C=CC(Cl)=N1 N10090 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 OC1=CC(Cl)=CN=C1Cl 92617 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.69 OC1=CC(Cl)=CN=C1I C92793 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.69 OC1=CC(F)=CN=C1I C91418 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 OC1=NC(Br)=C(I)C=C1 N10163 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 OC1=NC(Cl)=C(Br)C=C1 AC3279 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.4 C=C(C)CC\C=C\C T72820 [0,0,1,0,0,0|2,0,1]=4 126 B7R1.2 BrC1=CN=C(I)N1 P17529 [0,0,0,0,1,0|2,0,1]=4 127 B7R1.2 BrC1=CN=C(I)S1 89501 [0,0,0,0,1,0|3,0,0]=4 128 B7R1.2 BrC1=CNC(Br)=N1 C16160 [0,0,0,0,1,0|2,0,1]=4 129 B7R1.2 BrC1=NC=C(I)S1 F16091 [0,0,0,0,1,0|3,0,0]=4 130 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,0,0,0,1,0|3,0,0]=4 131 B7R1.2 CC1=CC(N)=CS1 27442 [0,0,0,0,1,0|3,0,0]=4 132 B7R1.2 CC1=CC(N)=NS1 A51223 [0,0,0,0,1,0|3,0,0]=4 133 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,0,0,0,1,0|2,0,0]=3 134 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,0,0,0,1,0|1,0,0]=2 135 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [0,0,0,0,1,0|2,0,0]=3 136 B7R1.2 CC1=CN=C(N)N1 27977 [0,0,0,0,1,0|1,0,1]=3 137 B7R1.2 CC1=COC(Br)=N1 AT18461 [0,0,0,0,1,0|2,0,0]=3 138 B7R1.2 CC1=COC(Cl)=N1 A51023 [0,0,0,0,1,0|2,0,0]=3 139 B7R1.2 CC1=CSC(N)=C1 N12877 [0,0,0,0,1,0|3,0,0]=4 140 B7R1.2 CC1=CSC(N)=C1 S11464 [0,0,0,0,1,0|3,0,0]=4 141 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,0,0,0,1,0|3,0,0]=4 142 B7R1.2 CC1=NC(Br)=NN1 98648 [0,0,0,0,1,0|2,0,0]=3 143 B7R1.2 CC1=NC(Cl)=NN1 AT12255 [0,0,0,0,1,0|2,0,0]=3 144 B7R1.2 CC1=NC(N)=CS1 AC2762 [0,0,0,0,1,0|2,0,0]=3 145 B7R1.2 CC1=NC=C(Br)O1 AT18670 [0,0,0,0,1,0|2,0,0]=3 146 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [0,0,0,0,1,0|2,0,0]=3 147 B7R1.2 CC1=NC=C(N)S1 D85841 [0,0,0,0,1,0|2,0,0]=3 148 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [0,0,0,0,1,0|3,0,0]=4 149 B7R1.2 CC1=NN=C(I)O1 AT18781 [0,0,0,0,1,0|3,0,0]=4 150 B7R1.2 CC1=NN=C(I)S1 AT18990 [0,0,0,0,1,0|3,0,0]=4 151 B7R1.2 CC1=NSC(I)=C1 W12926 [0,0,0,0,1,0|3,0,0]=4 152 B7R1.2 CC1=NSC(I)=N1 E72754 [0,0,0,0,1,0|2,0,0]=3 153 B7R1.2 CC1=NSC(N)=C1 C77679 [0,0,0,0,1,0|3,0,0]=4 154 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,0,1,0|1,0,2]=4 155 B7R1.2 CN1C=C(F)C=N1 D79458 [0,0,0,0,1,0|3,0,0]=4 156 B7R1.2 CN1C=CC(N)=C1 77871 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.2 CN1C=C[N+](C)=C1 91466 [0,0,0,0,1,0|3,0,0]=4 158 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,0,0,0,1,0|2,0,1]=4 159 B7R1.2 CN1C=NC(Cl)=N1 AT12342 [0,0,0,0,1,0|2,0,0]=3 160 B7R1.2 CN1C=NC(N)=C1 F13269 [0,0,0,0,1,0|3,0,0]=4 161 B7R1.2 CN1C=NC(N)=N1 AT12103 [0,0,0,0,1,0|2,0,0]=3 162 B7R1.2 CN1N=CC(N)=N1 F13454 [0,0,0,0,1,0|2,0,0]=3 163 B7R1.2 CN1N=NC(S)=N1 A51219 [0,0,0,0,1,0|3,0,0]=4 164 B7R1.2 ClC1=CC=C(I)S1 C74472 [0,0,0,0,1,0|3,0,0]=4 165 B7R1.2 ClC1=NNC(Br)=N1 AT12317 [0,0,0,0,1,0|3,0,0]=4 166 B7R1.2 FC1=NC(Br)=CS1 AT14873 [0,0,0,0,1,0|3,0,0]=4 167 B7R1.2 IC1=COC(I)=N1 D76854 [0,0,0,0,1,0|3,0,0]=4 168 B7R1.2 NC1=CC=C(Cl)S1 D87671 [0,0,0,0,1,0|3,0,0]=4 169 B7R1.2 NC1=CN=C(N)S1 C90580 [0,0,0,0,1,0|3,0,0]=4 170 B7R1.2 NC1=CSC(Br)=N1 70972 [0,0,0,0,1,0|3,0,0]=4 171 B7R1.2 OC1=NC(Br)=NN1 AT12308 [0,0,0,0,1,0|3,0,0]=4 172 B7R1.2 SC1=NC=C(Cl)S1 AT15027 [0,0,0,0,1,0|3,0,0]=4 173 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [0,0,0,0,1,0|3,0,0]=4 174 B7R1.4 CC1=C(Br)C=NN1 O11185 [0,0,0,0,1,0|2,0,0]=3 175 B7R1.4 CC1=C(Br)NN=N1 27531 [0,0,0,0,1,0|3,0,0]=4 176 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,0,0,0,1,0|3,0,0]=4 177 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,0,1,0|0,0,3]=4 178 B7R1.4 CC1=C(I)NN=C1 72687 [0,0,0,0,1,0|2,0,0]=3 179 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,0,0,0,1,0|2,0,0]=3 180 B7R1.4 CC1=C(N)NN=C1 P11216 [0,0,0,0,1,0|2,0,0]=3 181 B7R1.4 CC1=C(S)C=CS1 A10974 [0,0,0,0,1,0|3,0,0]=4 182 B7R1.4 CC1=CNN=C1I 72684 [0,0,0,0,1,0|2,0,1]=4 183 B7R1.4 CC1=NN=NN1C F16819 [0,0,0,0,1,0|3,0,0]=4 184 B7R1.4 CC1=NNC=C1Cl AT10929 [0,0,0,0,1,0|2,0,1]=4 185 B7R1.4 CC1=NOC=C1N AT19806 [0,0,0,0,1,0|3,0,0]=4 186 B7R1.4 CN1C=NN=C1Cl C90502 [0,0,0,0,1,0|3,0,0]=4 187 B7R1.4 CN1C=NN=C1I 98649 [0,0,0,0,1,0|3,0,0]=4 188 B7R1.4 CN1C=NN=C1N AT21330 [0,0,0,0,1,0|3,0,0]=4 189 B7R1.4 CN1C=NNC1=O AT21258 [0,0,0,0,1,0|3,0,0]=4 190 B7R1.4 NC1=C(F)C=NN1 D96709 [0,0,0,0,1,0|3,0,0]=4 191 B8R1.2 BrCC1=CN=CN=C1 F52462 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.2 BrCC1=NC=CC=N1 D79434 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.2 C=CC1=CC=CN=C1 71366 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,1,0,0,0,0|0,0,1]=3 195 B8R1.2 CNC1=CC=CN=N1 79165 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.2 CSC1=NC=CC=N1 O10841 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.2 ClCC1=NC=NC=C1 A10562 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.2 NCC1=CC=CC=C1 T70846 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.2 SCC1=NC=CN=C1 78318 [1,1,0,0,0,0|0,0,0]=2 200 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 CC1=CN=NC=C1C C15709 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|0,0,0]=2 210 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.5 FC1=C(F)C=NC=C1 O10910 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.5 NC1=C(S)C=NC=C1 P11896 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,1,0|2,0,0]=4 218 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,1,0|2,0,0]=4 219 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,1,0,0,1,0|2,0,0]=4 220 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,1,0,0,1,0|2,0,0]=4 221 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,1,0,0,1,0|2,0,0]=4 222 B8R1.1 C#CC1=NC(C)=CS1 C74016 [0,1,0,0,1,0|1,0,1]=4 223 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,0,1,0|2,0,0]=4 224 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,1,0|2,0,0]=4 225 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,1,0|2,0,0]=4 226 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,1,0|2,0,0]=4 227 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,1,0|2,0,0]=4 228 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,1,0|2,0,0]=4 229 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,1,0,0,1,0|1,0,1]=4 230 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,1,0|1,0,0]=3 231 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,1,0|1,0,0]=3 232 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,1,0|1,0,0]=3 233 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,1,0|0,0,1]=3 234 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,1,0|1,0,0]=3 235 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,1,0|2,0,0]=4 236 B8R1.1 CC1=NC(C#N)=CO1 AT18597 [0,1,0,0,1,0|1,0,1]=4 237 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,1,0|0,0,1]=3 238 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,1,0|0,0,1]=3 239 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,1,0|1,0,0]=3 240 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,1,0|1,0,0]=3 241 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,1,0|1,0,0]=3 242 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,1,0|1,0,0]=3 243 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,1,0|1,0,0]=3 244 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,1,0|0,0,1]=3 245 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,1,0|1,0,0]=3 246 B8R1.1 CC1=NN=C(CBr)O1 AT18780 [0,1,0,0,1,0|2,0,0]=4 247 B8R1.1 CC1=NN=C(CN)S1 AT18920 [0,1,0,0,1,0|2,0,0]=4 248 B8R1.1 CC1=NNC(CCl)=N1 AT12311 [0,1,0,0,1,0|1,0,0]=3 249 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,0,1,0|2,0,0]=4 250 B8R1.1 CC1=NNC(CO)=N1 AT12312 [0,1,0,0,1,0|1,0,0]=3 251 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|2,0,0]=4 254 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,1,0|2,0,0]=4 255 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,1,0|2,0,0]=4 256 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,1,0|2,0,0]=4 257 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,1,0|1,0,1]=4 258 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|1,0,0]=3 260 B8R1.1 CCC1=NSC(Br)=N1 AT11967 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,1,0|2,0,0]=4 263 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.1 CCN1C=NC(Br)=N1 AT11956 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.1 CCN1C=NC(N)=N1 AT11934 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.1 CCN1C=NC(N)=N1 AT11937 [0,1,0,0,1,0|2,0,0]=4 267 B8R1.1 CCN1N=CC(N)=N1 AT11960 [0,1,0,0,1,0|2,0,0]=4 268 B8R1.1 CN1C=C(CBr)C=N1 P19158 [0,1,0,0,1,0|2,0,0]=4 269 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,1,0|1,0,0]=3 270 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,1,0|1,0,0]=3 271 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,1,0|2,0,0]=4 272 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,1,0,0,1,0|2,0,0]=4 273 B8R1.1 CN1C=NC(CN)=N1 P12179 [0,1,0,0,1,0|1,0,0]=3 274 B8R1.1 CN1N=CC(CBr)=N1 95943 [0,1,0,0,1,0|1,0,0]=3 275 B8R1.1 CN1N=CC(CO)=N1 95942 [0,1,0,0,1,0|1,0,0]=3 276 B8R1.1 CN1N=NC(CO)=N1 AC1059 [0,1,0,0,1,0|2,0,0]=4 277 B8R1.1 CNC1=NC(N)=NN1 AT21328 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|1,0,0]=3 280 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,1,0|2,0,0]=4 281 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 COC1=NC(Br)=NN1 AT12186 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.1 COC1=NC(N)=NN1 AT21267 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|1,0,0]=3 288 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.1 CSC1=NNC(Cl)=N1 AT12265 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 ClCC1=NSC(Cl)=N1 50160 [0,1,0,0,1,0|2,0,0]=4 298 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 NC1=NC(CCl)=NS1 90593 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.1 NC1=NC(CO)=NO1 F30847 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.1 NCC1=NC(Cl)=NN1 AT24768 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.1 NCC1=NNC(Br)=N1 AT10928 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,1,0|1,0,1]=4 314 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,1,0,0,1,0|2,0,0]=4 316 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.18 CC1=C(Cl)N=C(Cl)S1 O10590 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,0,1,0|1,0,0]=3 320 B8R1.18 CC1=CN(C)C(Br)=N1 71593 [0,1,0,0,1,0|1,0,1]=4 321 B8R1.18 CC1=NC(Cl)=NN1C AT12340 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.18 CC1=NC(Cl)=NN1C D77148 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.18 CC1=NC(N)=NN1C AT12440 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.18 CC1=NN(C)C(Br)=N1 AT12326 [0,1,0,0,1,0|1,0,0]=3 325 B8R1.18 CC1=NN(C)C(Cl)=N1 AT12325 [0,1,0,0,1,0|1,0,0]=3 326 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,0,1,0|1,0,0]=3 327 B8R1.18 CC1=NN(C)C(N)=N1 AT12327 [0,1,0,0,1,0|1,0,0]=3 328 B8R1.18 CC1=NN(C)C=C1N CL3439 [0,1,0,0,1,0|1,0,0]=3 329 B8R1.18 CN1C=C(Br)C(O)=N1 AT14036 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.18 CN1C=C(Cl)C(N)=N1 AT14074 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.18 CN1C=C(I)C(O)=N1 AT14039 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.18 CN1C=C(N)C(Br)=N1 AT13631 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.18 CN1N=C(Br)N=C1Cl AT21298 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.18 CN1N=C(Br)N=C1N AT21294 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.18 CN1N=C(Cl)C=C1N P14551 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.18 CN1N=C(I)C=C1F P15024 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.18 CN1N=C(N)C=C1N F17296 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.18 CN1N=C(N)N=C1N 32060 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,1,0,0,1,0|0,0,1]=3 340 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,1,0,0,1,0|2,0,0]=4 341 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,1,0|2,0,0]=4 342 B8R1.11 CC1=C(C#N)C=NO1 AC5754 [0,1,0,0,1,0|1,0,1]=4 343 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,0,1,0|1,0,0]=3 344 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,0,1,0|1,0,0]=3 348 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,0,1,0|1,0,0]=3 349 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,1,0|1,0,0]=3 352 B8R1.11 CC1=CNC=C1C#N AT16242 [0,1,0,0,1,0|0,0,2]=4 353 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,1,0|1,0,1]=4 354 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,1,0|1,0,0]=3 356 B8R1.11 CC1=NOC=C1CCl AT19032 [0,1,0,0,1,0|2,0,0]=4 357 B8R1.11 CC1=NSC=C1CO AT21132 [0,1,0,0,1,0|2,0,0]=4 358 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,0,1,0|2,0,0]=4 359 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,0,1,0|2,0,0]=4 360 B8R1.11 CN1C=NC=C1CBr O11296 [0,1,0,0,1,0|1,0,0]=3 361 B8R1.11 CN1C=NC=C1CCl 94781 [0,1,0,0,1,0|1,0,0]=3 362 B8R1.11 CN1C=NN=C1CCl 94779 [0,1,0,0,1,0|2,0,0]=4 363 B8R1.11 CN1C=NN=C1CN F10337 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.11 CN1N=NC=C1CN AT13362 [0,1,0,0,1,0|2,0,0]=4 365 B8R1.11 CNC1=CN=CN1C 98139 [0,1,0,0,1,0|1,0,0]=3 366 B8R1.11 CNC1=CSN=C1C AT21113 [0,1,0,0,1,0|2,0,0]=4 367 B8R1.11 CNC1=NN=CN1C AT21331 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|1,0,1]=4 369 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.11 COC1=C(N)NN=C1 AT12746 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,1,0|2,0,0]=4 372 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,1,0|2,0,0]=4 373 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,1,0|2,0,0]=4 374 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,1,0,0,1,0|2,0,0]=4 375 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,1,0|2,0,0]=4 376 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.2 CNC1=CN=CC(Br)=C1C AT12945 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.2 COC1=CN=CC(F)=C1N 93259 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.2 OCC1=CN=CC(Br)=C1Cl AT15942 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.8 CC1=CC(C)=NC(CN)=N1 79538 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.8 CC1=CC(CCl)=CC(Cl)=N1 57849 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.8 CC1=CC(CCl)=NC(C)=C1 O10512 [0,2,0,0,0,0|1,0,0]=3 385 B10R1.8 CC1=CC(CN)=CC(Cl)=N1 57851 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C77358 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.8 CCC1=CC(Cl)=NC(C)=N1 76084 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.8 CCC1=CC(N)=NC(C)=N1 CS1422 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.8 CNC1=CC(C)=NC(C)=C1 78071 [0,2,0,0,0,0|1,0,0]=3 391 B10R1.8 CNC1=NC(C)=CC(Cl)=N1 C80055 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.8 COC1=CC(I)=CC(Cl)=N1 N10142 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.8 COC1=C[C@@H](C)C=C(C)C1 AC6323 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.8 COC1=NC(C)=CC(C)=N1 H10099 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 C91444 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 D81608 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.10 CC1=CC(CC#N)=NN=C1 C92375 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,2,0,0,0,0|1,0,0]=3 403 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.30 CC1=CC=C(N)C(C#N)=N1 68796 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.30 CC1=CN=C(Cl)C(C#N)=C1 94431 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.30 CC1=NC(C#N)=C(F)C=C1 C91533 [0,2,0,0,0,0|1,0,1]=4 415 B10R1.30 CC1=NC(C#N)=C(O)C=C1 57115 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,2,0,0,0,0|1,0,0]=3 417 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.30 ClC1=NC(CBr)=C(Br)C=C1 52492 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.30 FC1=NC(CBr)=C(Br)C=C1 85647 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.30 FCC1=C(F)C=CC(Br)=N1 C92966 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.30 NC1=CN=C(Cl)C(CO)=C1 D88075 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.30 NC1=NC=C(Br)C=C1CO 26758 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 A10682 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.30 OCC1=CC(Br)=CN=C1F P11806 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.30 OCC1=CC(F)=CN=C1Cl 85046 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.30 OCC1=CC(F)=CN=C1F AT10048 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,2,0,0,0,0|1,0,0]=3 438 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.113 CC1=CC=CC(B([O-])O)=N1 AT15842 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,2,0,0,0,0|1,0,1]=4 442 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.113 CC1=NC=CC(C(C)C)=N1 O11252 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.113 CN(C)C1=CC=CC(F)=N1 AT20362 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.113 FC(F)C1=CC(Cl)=CN=C1 94167 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.113 FC1=NC(C(F)F)=CC=C1 E72212 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC6696 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.172 BrCC1=CN=CC(CBr)=C1 C11061 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.172 BrCC1=CN=CC(CBr)=C1 F30548 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,2,0,0,0,0|1,0,1]=4 466 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.172 COC1=CC(OC)=NN=C1 C73963 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.172 COC1=NC(NN)=CN=C1 BL010288 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.172 CSC1=CN=CC(SC)=C1 H11054 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.172 CSC1=NC=CC(CCl)=N1 C16785 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.176 CC1=C(Br)C=CC(NN)=N1 80859 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.176 CC1=C(C)N=C(C#N)C=C1 Y10192 [0,2,0,0,0,0|1,0,1]=4 487 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.176 COC1=NN=C(Cl)C(C)=C1 C16632 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.176 CSC1=NC(C)=C(Br)C=C1 AT14158 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.176 CSC1=NC(C)=C(N)C=N1 C16461 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.176 NC1=C(Cl)C=C(CO)C=N1 AT11640 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 D97054 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.176 NCC1=CN=C(Br)C(Cl)=C1 Y11680 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AC7185 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.176 OCC1=CN=C(Br)C(Cl)=C1 AT10810 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 D88117 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.22 CC1=C(O)C(I)=CC(I)=N1 FD10658 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.22 CC1=CC(Br)=NC(C)=C1Br C75336 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.22 CC1=CC(C)=C(N)C(Br)=N1 C71195 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.22 CC1=CC(C)=NC(C)=C1Br W12678 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 C71278 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.22 CC1=CC(N)=CC(C)=C1N 61916 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 C75076 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.119 CC1=CC=C(O)C(C)=C1Br W18028 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.119 CC1=CN=C(Cl)C(N)=C1N O10740 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.245 CC1=CN=CC(Br)=C1C=O 51803 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.245 CC1=CN=CC(C)=C1C=O 51703 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.25 C#CC1=C(C)N=C(F)C=C1 AT20062 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.25 CC1=CC(F)=CN=C1C#N 55147 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.25 CC1=CC=C(C#N)C(S)=N1 94430 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.25 CC1=NC(N)=C(C#N)C=C1 P17376 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.25 COC1=NC=C(C)C=C1N D74381 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 E71743 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.25 NNC1=NC=C(Cl)N=C1Br BL010277 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.118 CC1=C(Br)N=C(Br)C(N)=C1 O10625 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.118 CC1=C(N)N=C(Br)C(F)=C1 F19626 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.118 CC1=CC(C)=C(N)C=C1N F31159 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.118 CC1=CC(O)=C(C)N=C1Br D80172 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.118 CC1=CN(C)C(=O)N=C1O AT19349 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.118 CC1=NC(Cl)=C(Br)C=C1N C91671 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.118 CC1=NC(N)=C(I)C=C1Br 82189 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.118 CC1=NC(O)=C(C)N=C1O N13378 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.118 ClC1=NC(Cl)=C(Cl)N=C1Br N11826 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.118 NC1=C(Br)N=C(Br)C(Br)=N1 C76093 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.118 [2H]C1=NC([2H])=C([2H])N=C1[2H] D98348 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,0,1,1,0,0|2,0,0]=4 554 B8R1.7 N=C(N)C1=NC=CN1 38079 [0,0,1,1,0,0|2,0,0]=4 555 B8R1.7 N=C(N)C1=NC=CN1 P15498 [0,0,1,1,0,0|2,0,0]=4 556 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,1,0|2,0,0]=4 557 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|1,0,0]=3 558 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 559 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 560 B6R1.2 ClC1=CSN=C1 F13704 [1,0,0,0,1,0|2,0,0]=4 561 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 562 B6R1.2 ClC1=NC=NN1 O11392 [1,0,0,0,1,0|2,0,0]=4 563 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 564 B6R1.2 ClC1=NSN=C1 AT12128 [1,0,0,0,1,0|2,0,0]=4 565 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 566 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 567 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,1,0|2,0,0]=4 568 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|1,0,1]=4 569 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|2,0,0]=4 570 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|2,0,0]=4