0 B8R1.18 CC1=C(Br)SC(Br)=N1 08-2012 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.18 CC1=C(Br)SC(N)=N1 08-1397 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.18 CC1=C(Br)SC(N)=N1 08-897 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.18 CC1=C(Cl)SC(N)=N1 08-900 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.18 CC1=NC(C)=C(Br)S1 08-4188 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.18 CC1=NN(C)C(Br)=C1 08-1653 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 CC1=NN(C)C=C1Br 08-4185 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 CC1=NN(C)C=C1N 08-10219 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 CC1=NN(C)C=C1N 08-4340 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.18 CN1C=C(Br)C(N)=N1 08-8171 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.18 CN1N=C(N)C=C1Br 08-4224 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.18 C[C@@H]1NC(=O)OC1=O 19-1463 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 BrC1=CN=C(Br)S1 08-1056 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.2 BrC1=CSC(Br)=N1 08-219 [1,0,0,0,0,0|2,1,0]=4 14 B7R1.2 CC1=CC(Cl)=NN1 08-6986 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CC1=CN=C(C)S1 08-5507 [1,0,0,0,0,0|0,1,0]=2 16 B7R1.2 CC1=CN=C(Cl)S1 08-6915 [1,0,0,0,0,0|1,1,0]=3 17 B7R1.2 CC1=CNC(C)=N1 CS-459 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.2 CC1=COC(N)=N1 08-878 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.2 CC1=CSC(Br)=N1 08-962 [1,0,0,0,0,0|1,1,0]=3 20 B7R1.2 CC1=CSC(Cl)=N1 08-1928 [1,0,0,0,0,0|1,1,0]=3 21 B7R1.2 CC1=CSC(N)=C1 08-4614 [1,0,0,0,0,0|2,1,0]=4 22 B7R1.2 CC1=NC(Br)=CN1 08-955 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.2 CC1=NC=C(Br)S1 08-6499 [1,0,0,0,0,0|1,1,0]=3 24 B7R1.2 CC1=NNC(C)=N1 08-5098 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.2 CC1=NSC(I)=C1 08-3999 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 CN1C=C(Br)C=N1 08-685 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 CN1C=CC(Br)=N1 08-3471 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 CN1C=CC(N)=N1 08-1467 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 CN1C=NC(I)=C1 08-1164 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 ClC1=NC(Br)=CS1 08-3899 [1,0,0,0,0,0|2,1,0]=4 31 B7R1.2 ClC1=NC=C(Br)S1 08-4882 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.2 IC1=COC(I)=N1 08-7136 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 NC1=NC=C(Br)S1 08-864 [1,0,0,0,0,0|2,1,0]=4 34 B7R1.2 NC1=NC=C(F)S1 08-7393 [1,0,0,0,0,0|2,1,0]=4 35 B7R1.4 CC1=C(Br)SC=N1 08-4240 [1,0,0,0,0,0|1,1,0]=3 36 B7R1.4 CN1C=CN=C1Br 08-4216 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 CN1C=CN=C1Cl 08-1907 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.4 CN1C=CN=C1I 08-2275 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.4 CN1N=CC=C1N 08-10256 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.4 IC1=C(I)NC=N1 08-1071 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.22 CC1=NC(CO)=C(C)O1 08-4347 [0,1,0,0,0,0|0,0,0]=1 42 B9R1.22 CC1=NN(C)C(CCl)=C1 08-1904 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.22 CC1=NN(C)C(CN)=C1 08-3602 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.22 CC1=NN(C)C=C1C=O 08-4349 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.22 CN1C=C(Br)C(CO)=N1 08-4228 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.22 OCC1=C(Br)SC(Br)=N1 08-1054 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.23 CC1=C(C)SC(C#N)=N1 08-7022 [0,1,0,0,0,0|0,1,1]=3 48 B9R1.23 CCN1C=C(N)C(C)=N1 08-10093 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.37 CC1=NN(C)C(C)=C1Br 19-822 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.34 CC1=CC(Br)=CC(C)=N1 08-3597 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.34 CC1=CC(C)=CC(F)=C1 09-1375 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.34 CC1=CC(C)=NC(C)=C1 08-6506 [0,0,0,0,0,1|1,0,0]=2 53 B9R1.34 CC1=CC(C)=NC(C)=C1 19-2176 [0,0,0,0,0,1|1,0,0]=2 54 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 08-3119 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.34 CC1=CC(Cl)=NC(C)=C1 08-8258 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 08-3120 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.34 CC1=CC(N)=CC(Br)=N1 08-4132 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.34 CC1=CC(N)=CC(C)=N1 08-2103 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.34 CC1=NC(Cl)=NC(N)=C1 08-1925 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.69 CC1=C(Br)C=C(N)C=N1 08-4692 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 08-5834 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.69 CC1=C(Br)C=CC(F)=N1 08-1296 [0,0,0,0,0,1|3,0,0]=4 63 B9R1.69 CC1=C(Br)C=CC(N)=N1 08-6497 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.69 CC1=C(Br)C=NC(F)=C1 08-3086 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.69 CC1=C(C)C=C(F)C=C1 21-314 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.69 CC1=C(Cl)C=NC(N)=C1 08-1403 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.69 CC1=C(Cl)N=C(Cl)N=C1 08-222 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 08-8186 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.69 CC1=C(F)C=CC(Br)=N1 08-1658 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.69 CC1=C(F)C=CC(Cl)=N1 08-10239 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.69 CC1=C(I)C=C(F)N=C1 08-2190 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.69 CC1=C(N)N=C(Cl)N=C1 08-1404 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.69 CC1=C(N)N=CC(Br)=N1 08-8100 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.69 CC1=C(O)C=CC(F)=N1 08-8474 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.69 CC1=C(O)N=C(O)N=C1 027035 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 08-9575 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.69 CC1=CC(Br)=C(F)N=C1 08-1659 [0,0,0,0,0,1|3,0,0]=4 78 B9R1.69 CC1=CC(Br)=CN=C1Br 08-10123 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.69 CC1=CC(Br)=CN=C1Cl 08-8139 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.69 CC1=CC(Br)=CN=C1F 08-1660 [0,0,0,0,0,1|3,0,0]=4 81 B9R1.69 CC1=CC(Br)=NC=C1Br 08-2011 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.69 CC1=CC(Br)=NC=C1N 08-6760 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.69 CC1=CC(C)=C(O)C=C1 026219S [0,0,0,0,0,1|3,0,0]=4 84 B9R1.69 CC1=CC(Cl)=CN=C1Br 22-1873 [0,0,0,0,0,1|3,0,0]=4 85 B9R1.69 CC1=CC(Cl)=NC=C1O 08-8270 [0,0,0,0,0,1|3,0,0]=4 86 B9R1.69 CC1=CC(Cl)=NN=C1Cl 08-4332 [0,0,0,0,0,1|3,0,0]=4 87 B9R1.69 CC1=CC(F)=CN=C1Br 08-4192 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.69 CC1=CC(F)=CN=C1N 08-8429 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.69 CC1=CC(F)=NC=C1N 08-10096 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.69 CC1=CC(F)=NC=C1O 08-6029 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.69 CC1=CC(I)=C(F)N=C1 08-7359 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.69 CC1=CC(N)=C(Br)C=N1 08-5770 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.69 CC1=CC(O)=CN=C1F 08-6017 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.69 CC1=CC=C(F)C(Br)=N1 08-10059 [0,0,0,0,0,1|3,0,0]=4 95 B9R1.69 CC1=CC=C(O)C(Br)=N1 08-8911 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.69 CC1=CC=C(O)C(F)=N1 08-8475 [0,0,0,0,0,1|3,0,0]=4 97 B9R1.69 CC1=CN=C(Br)C(Br)=C1 08-10122 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.69 CC1=CN=C(Br)C(C)=C1 08-4187 [0,0,0,0,0,1|2,0,0]=3 99 B9R1.69 CC1=CN=C(Br)C(O)=C1 08-10344 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 08-8187 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.69 CC1=CN=C(Cl)C(F)=C1 08-10163 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.69 CC1=CN=C(Cl)C=C1N 08-10400 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.69 CC1=CN=C(F)C(O)=C1 08-6028 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.69 CC1=NC(C)=C(Br)C=C1 08-10157 [0,0,0,0,0,1|2,0,0]=3 105 B9R1.69 CC1=NC(Cl)=CN=C1Br 08-8185 [0,0,0,0,0,1|3,0,0]=4 106 B9R1.69 CC1=NC(N)=C(Br)C=C1 08-9345 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.69 CC1=NC(N)=C(I)C=C1 08-9346 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.69 CC1=NC(N)=CN=C1Br 08-5907 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.69 CC1=NC=C(Br)C=C1Cl 08-6803 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.69 CC1=NC=C(Br)C=C1N 08-4555 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.69 CC1=NC=C(Cl)C=C1N 08-6212 [0,0,0,0,0,1|3,0,0]=4 112 B6R0.3 C\C=C(/C)C(=O)O 020772 [1,0,1,0,0,0|1,0,0]=3 113 B6R0.3 C\C=C(\C)C(=O)O 06-231 [1,0,1,0,0,0|1,0,0]=3 114 B6R1.2 BrC1=CN=CS1 08-976 [2,0,0,0,0,0|1,1,0]=4 115 B6R1.2 BrC1=CNC=N1 08-946 [2,0,0,0,0,0|2,0,0]=4 116 B6R1.2 BrC1=CSC=N1 08-139 [2,0,0,0,0,0|1,1,0]=4 117 B6R1.2 BrC1=NC=CN1 08-3443 [2,0,0,0,0,0|2,0,0]=4 118 B6R1.2 BrC1=NC=CS1 08-710 [2,0,0,0,0,0|1,1,0]=4 119 B6R1.2 IC1=CNC=N1 08-2273 [2,0,0,0,0,0|2,0,0]=4 120 B6R1.2 NC1=CN=CS1 08-3402 [2,0,0,0,0,0|1,1,0]=4 121 B6R1.2 NC1=NC=CO1 08-3403 [2,0,0,0,0,0|1,0,0]=3 122 B6R1.2 SC1=NC=CN1 08-10084 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.1 CC1=CC(CBr)=NO1 08-3470 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.1 CC1=CSC(C#N)=N1 08-7729 [1,1,0,0,0,0|0,1,1]=4 125 B8R1.1 CC1=NC(C#N)=CS1 08-4470 [1,1,0,0,0,0|0,1,1]=4 126 B8R1.1 CC1=NC(C=O)=CO1 08-2415 [1,1,0,0,0,0|0,0,1]=3 127 B8R1.1 CC1=NC(C=O)=CS1 08-1143 [1,1,0,0,0,0|0,1,1]=4 128 B8R1.1 CC1=NC=C(C=O)S1 08-2217 [1,1,0,0,0,0|0,1,1]=4 129 B8R1.1 CC1=NC=C(CO)S1 08-5499 [1,1,0,0,0,0|0,1,0]=3 130 B8R1.1 CN1C=CC(CCl)=N1 08-4280 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.1 CN1C=CC(CN)=N1 08-8105 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.1 CN1C=CC(CO)=N1 08-3720 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.1 COC1=NC(Br)=CS1 08-953 [1,1,0,0,0,0|1,1,0]=4 134 B8R1.1 COC1=NC=C(Br)S1 08-954 [1,1,0,0,0,0|1,1,0]=4 135 B8R1.1 CSC1=NC(Br)=CS1 08-981 [1,1,0,0,0,0|1,1,0]=4 136 B8R1.1 ClCC1=CN=C(Cl)S1 08-1004 [1,1,0,0,0,0|1,1,0]=4 137 B8R1.1 ClCC1=CSC(Cl)=N1 08-1003 [1,1,0,0,0,0|1,1,0]=4 138 B8R1.1 NC1=NC(CCl)=CS1 08-869 [1,1,0,0,0,0|1,1,0]=4 139 B8R1.1 OCC1=CN=C(Br)S1 08-979 [1,1,0,0,0,0|1,1,0]=4 140 B8R1.1 OCC1=CN=C(Cl)S1 08-1011 [1,1,0,0,0,0|1,1,0]=4 141 B8R1.1 OCC1=CSC(Br)=N1 08-978 [1,1,0,0,0,0|1,1,0]=4 142 B8R1.1 OCC1=CSC(Cl)=N1 08-1012 [1,1,0,0,0,0|1,1,0]=4 143 B8R1.50 CC1=NOC(C)=C1Br 08-6693 [1,1,0,0,0,0|2,0,0]=4 144 B8R1.50 CC1=NOC(C)=C1I 08-265 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.11 CC1=C(CCl)NC=N1 08-1024 [1,1,0,0,0,0|1,0,0]=3 146 B8R1.11 CC1=C(CO)NC=N1 08-1154 [1,1,0,0,0,0|1,0,0]=3 147 B8R1.11 CN1N=CC=C1CO 08-4466 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.8 CC1=CC(C)=NC(CO)=N1 08-9854 [0,1,0,0,0,1|1,0,0]=3 149 B10R1.8 CC1=CC(C=O)=CC(C)=N1 08-8357 [0,1,0,0,0,1|1,0,1]=4 150 B10R1.8 CC1=CC(CN)=NC(C)=C1 08-9395 [0,1,0,0,0,1|1,0,0]=3 151 B10R1.8 CC1=CC(CO)=NC(C)=C1 08-4354 [0,1,0,0,0,1|1,0,0]=3 152 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 08-7047 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.22 CC1=CC(C)=C(Br)C(Br)=N1 08-10348 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 09-1027 [0,1,0,0,0,1|1,0,1]=4 155 B10R1.25 CC1=C(CCl)C=NC(F)=C1 08-8319 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 08-9871 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.25 CC1=CC(Br)=C(CN)N=C1 08-10161 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.25 CC1=CC(Br)=C(CO)N=C1 08-9870 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.25 CC1=CC(Br)=CN=C1CCl 08-9890 [0,1,0,0,0,1|2,0,0]=4 160 B10R1.25 CC1=CC(Br)=CN=C1CN 08-4237 [0,1,0,0,0,1|2,0,0]=4 161 B10R1.25 CC1=CC(Cl)=CN=C1CN 08-4293 [0,1,0,0,0,1|2,0,0]=4 162 B10R1.25 CC1=CC(F)=CN=C1CN 08-9403 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.25 CC1=CC=C(CN)C(Cl)=N1 08-9387 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.25 CC1=CN=C(CN)C(C)=C1 08-4353 [0,1,0,0,0,1|1,0,0]=3 165 B10R1.25 CC1=NC(C)=C(C=O)C=C1 08-3599 [0,1,0,0,0,1|1,0,1]=4 166 B10R1.25 COC1=CN=C(Cl)C=C1C 08-9866 [0,1,0,0,0,1|2,0,0]=4 167 B10R1.25 COC1=NC=C(N)C=C1C 08-5773 [0,1,0,0,0,1|2,0,0]=4 168 B10R1.30 CC1=NC(CN)=C(F)C=C1 08-4366 [0,1,0,0,0,1|2,0,0]=4 169 B10R1.30 CSC1=CC(C)=CN=C1Br 08-9508 [0,1,0,0,0,1|2,0,0]=4 170 B10R1.118 CC1=NC(C)=C(C)N=C1C 021808S [0,1,0,0,0,1|1,0,0]=3 171 B10R1.118 CC1=NC(C)=C(C)N=C1C 06-814 [0,1,0,0,0,1|1,0,0]=3 172 B10R1.176 CC1=CC(CN)=CN=C1Cl 08-4295 [0,1,0,0,0,1|2,0,0]=4 173 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 08-9512 [0,1,0,0,0,1|2,0,0]=4 174 B10R1.59 CC(=O)C1=CC(C)=NN1C 08-2098 [0,2,0,0,0,0|2,0,0]=4 175 B8R1.3 CC1=CC=C(N)N=N1 08-4593 [1,0,0,0,0,1|2,0,0]=4 176 B8R1.3 CC1=CN=C(Br)C=C1 08-4977 [1,0,0,0,0,1|2,0,0]=4 177 B8R1.3 CC1=CN=C(Br)C=N1 08-4223 [1,0,0,0,0,1|2,0,0]=4 178 B8R1.3 CC1=CN=C(Cl)N=C1 08-3054 [1,0,0,0,0,1|2,0,0]=4 179 B8R1.3 CC1=CN=C(F)C=C1 26-3773 [1,0,0,0,0,1|2,0,0]=4 180 B8R1.3 CC1=CN=C(N)N=C1 08-4554 [1,0,0,0,0,1|2,0,0]=4 181 B8R1.3 CC1=NC=C(Br)C=C1 08-2959 [1,0,0,0,0,1|2,0,0]=4 182 B8R1.3 CC1=NC=C(Br)C=N1 08-4716 [1,0,0,0,0,1|2,0,0]=4 183 B8R1.3 CC1=NC=C(F)C=C1 08-2200 [1,0,0,0,0,1|2,0,0]=4 184 B8R1.3 CC1=NN=C(Cl)C=C1 08-4286 [1,0,0,0,0,1|2,0,0]=4 185 B8R1.3 CC1=NNC(=O)C=C1 08-5381 [1,0,0,0,0,1|2,0,0]=4