0 B6R1.2 BrC1=CC=CO1 6929 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CC=CS1 5313 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=CC=NO1 14443 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CC=NS1 12056 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=CCCC1 29715 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 BrC1=CN=CS1 2077 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 BrC1=CNC=N1 9443 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 BrC1=CNN=C1 11041 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 BrC1=CNN=N1 18352 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 BrC1=COC=C1 8830 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 BrC1=CSC=C1 5306 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 BrC1=CSC=N1 4040 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 BrC1=CSN=C1 12057 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 BrC1=NNC=C1 22992 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 BrC1=NNC=N1 20960 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 BrC1=NSC=C1 12058 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 Br[C-]1C=CC=C1 36254 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 CC1=CC=CO1 11230 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 CC1=CC=CS1 5204 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 CC1=CC=NN1 10442 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=CC=NO1 8634 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 CC1=CC=NS1 45145 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 CC1=CNC=C1 13921 [0,0,0,0,0,0|1,0,0]=1 23 B6R1.2 CC1=CNC=N1 7153 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 CC1=CNN=C1 13055 [0,0,0,0,0,0|0,0,0]=0 25 B6R1.2 CC1=COC=C1 19993 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 CC1=COC=N1 23604 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 CC1=CON=C1 24245 [0,0,0,0,0,0|1,0,0]=1 28 B6R1.2 CC1=CSC=C1 5565 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 CC1=CSC=N1 23683 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 CC1=NC=CN1 8049 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 CC1=NC=CS1 15749 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 CC1=NCCC1 9412 [0,0,0,0,0,0|3,0,1]=4 33 B6R1.2 CC1=NCCN1 10179 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 CC1=NN=NN1 9130 [0,0,0,0,0,0|2,0,1]=3 35 B6R1.2 CC1=NNC=C1 13253 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 CC1=NNC=N1 23317 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 CC1CCNC1 19859 [0,0,0,0,0,0|1,0,3]=4 38 B6R1.2 CN1C=CC=C1 10822 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 CN1C=CC=N1 20862 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 CN1C=CN=C1 15971 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 CN1C=CN=N1 23531 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 CN1C=NC=N1 22534 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 CN1C=NN=C1 24226 [0,0,0,0,0,0|1,0,1]=2 44 B6R1.2 CN1C=NN=N1 27267 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 ClC1=CC=CS1 7376 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 ClC1=CN=NS1 24997 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 ClC1=CNN=C1 14005 [0,0,0,0,0,0|1,0,0]=1 48 B6R1.2 ClC1=CSC=C1 5477 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 ClC1=NC=NS1 20014 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 ClC1=NNC=C1 23622 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 FC1=CN=CN1 13602 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.2 IC1=CC=CS1 5547 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 IC1=CN=CS1 27981 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 IC1=CNC=N1 7930 [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 IC1=CNN=C1 13295 [0,0,0,0,0,0|1,0,0]=1 56 B6R1.2 IC1=CSC=C1 16213 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.2 NC1=CC=CN1 13838 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 NC1=CC=NO1 24641 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 NC1=CC=NS1 24255 [0,0,0,0,0,0|3,0,0]=3 60 B6R1.2 NC1=CN=CS1 17251 [0,0,0,0,0,0|3,0,0]=3 61 B6R1.2 NC1=CN=CS1 20291 [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 NC1=CN=NS1 9996 [0,0,0,0,0,0|2,0,1]=3 63 B6R1.2 NC1=CNC=N1 19885 [0,0,0,0,0,0|3,0,0]=3 64 B6R1.2 NC1=CNN=C1 14988 [0,0,0,0,0,0|1,0,0]=1 65 B6R1.2 NC1=CON=C1 22316 [0,0,0,0,0,0|2,0,0]=2 66 B6R1.2 NC1=CSC=C1 14847 [0,0,0,0,0,0|3,0,0]=3 67 B6R1.2 NC1=CSC=C1 25687 [0,0,0,0,0,0|3,0,0]=3 68 B6R1.2 NC1=NC=NS1 11136 [0,0,0,0,0,0|4,0,0]=4 69 B6R1.2 NC1=NN=CS1 8411 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 NC1=NN=NN1 9131 [0,0,0,0,0,0|3,0,1]=4 71 B6R1.2 NC1=NNC=C1 11252 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 NC1=NNC=C1 17834 [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 NC1=NNC=N1 16495 [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 NC1=NOC=C1 8627 [0,0,0,0,0,0|4,0,0]=4 75 B6R1.2 NN1C=CC=C1 12475 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 NN1C=CC=C1 23913 [0,0,0,0,0,0|4,0,0]=4 77 B6R1.2 NN1C=NN=C1 14499 [0,0,0,0,0,0|2,0,1]=3 78 B6R1.2 O=C1C=CCC1 9803 [0,0,0,0,0,0|3,0,1]=4 79 B6R1.2 O=C1C=CCN1 23871 [0,0,0,0,0,0|4,0,0]=4 80 B6R1.2 O=C1C=CNN1 23624 [0,0,0,0,0,0|3,0,0]=3 81 B6R1.2 O=C1C=CON1 27643 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 O=C1C=CSN1 20292 [0,0,0,0,0,0|4,0,0]=4 83 B6R1.2 O=C1CC=NN1 23623 [0,0,0,0,0,0|3,0,1]=4 84 B6R1.2 O=C1CCNC1 21931 [0,0,0,0,0,0|2,0,2]=4 85 B6R1.2 O=C1CNCN1 23395 [0,0,0,0,0,0|3,0,1]=4 86 B6R1.2 OC1=CC=NN1 23482 [0,0,0,0,0,0|3,0,0]=3 87 B6R1.2 OC1=NNCC1 44776 [0,0,0,0,0,0|3,0,1]=4 88 B6R1.2 SC1=CC=CS1 7755 [0,0,0,0,0,0|4,0,0]=4 89 B6R1.2 SC1=NN=CS1 10119 [0,0,0,0,0,0|4,0,0]=4 90 B5R1.1 C1=CCNC1 18771 [1,0,0,0,0,0|1,0,1]=3 91 B5R1.1 C1=CCNC1 29078 [1,0,0,0,0,0|1,0,1]=3 92 B5R1.1 C1=CCOC1 3987 [1,0,0,0,0,0|2,0,1]=4 93 B5R1.1 C1=CNC=C1 16729 [1,0,0,0,0,0|1,0,0]=2 94 B5R1.1 C1=CNC=N1 26201 [1,0,0,0,0,0|2,0,0]=3 95 B5R1.1 C1=CNN=C1 21409 [1,0,0,0,0,0|0,0,0]=1 96 B5R1.1 C1=COC=N1 8626 [1,0,0,0,0,0|2,0,0]=3 97 B5R1.1 C1=COCC1 12854 [1,0,0,0,0,0|2,0,1]=4 98 B5R1.1 C1=CON=C1 8623 [1,0,0,0,0,0|1,0,0]=2 99 B5R1.1 C1=CSC=C1 26881 [1,0,0,0,0,0|2,0,0]=3 100 B5R1.1 C1=CSN=C1 24709 [1,0,0,0,0,0|1,0,0]=2 101 B5R1.1 C1=C[CH-]C=C1 16015 [1,0,0,0,0,0|2,0,0]=3 102 B5R1.1 C1=C[CH-]C=C1 29400 [1,0,0,0,0,0|2,0,0]=3 103 B5R1.1 C1=C[CH-]C=C1 35636 [1,0,0,0,0,0|2,0,0]=3 104 B5R1.1 C1=NC=NN1 17626 [1,0,0,0,0,0|1,0,0]=2 105 B5R1.1 C1=NCCO1 24989 [1,0,0,0,0,0|2,0,1]=4 106 B5R1.1 C1=NCCO1 8622 [1,0,0,0,0,0|2,0,1]=4 107 B5R1.1 C1=NN=NN1 12846 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.1 BrCC1=CC=NS1 22267 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 BrCC1=CN=CO1 16901 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 BrCC1=CSC=C1 5295 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 BrCC1=NNC=C1 14336 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.1 C#CC1=CSC=C1 16122 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.1 C=CN1C=CN=C1 9440 [0,1,0,0,0,0|2,0,1]=4 114 B7R1.1 CCC1=CC=CS1 5536 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 CCC1=NNN=N1 32073 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.1 CCN1C=CC=C1 35829 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.1 CCN1C=CN=C1 7605 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 CNC1=CC=NN1 7850 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 COC1=CC=CO1 19998 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.1 COC1=CC=CS1 12545 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.1 COC1=CSC=C1 8863 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 CSC1=CNC=N1 14136 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 CSC1=NN=NN1 9169 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.1 ClCC1=NN=NN1 9133 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.1 ClCC1=NNC=C1 27656 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.1 N#CC1=CNC=C1 9143 [0,1,0,0,0,0|1,0,1]=3 127 B7R1.1 N#CC1=CNC=N1 18770 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.1 N#CC1=CNN=C1 35534 [0,1,0,0,0,0|0,0,1]=2 129 B7R1.1 N#CC1=CSC=C1 12351 [0,1,0,0,0,0|2,0,1]=4 130 B7R1.1 N#CC1=CSC=C1 5508 [0,1,0,0,0,0|2,0,1]=4 131 B7R1.1 N#CC1=NNC=C1 14331 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.1 NCC1=CC=CO1 6967 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.1 NCC1=CC=CS1 22278 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.1 NCC1=CC=CS1 5606 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.1 NCC1=CC=NN1 14846 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.1 NCC1=COC=N1 24611 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.1 NCC1=CSC=C1 12348 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.1 NCC1=NN=CO1 27736 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.1 NCC1=NN=CS1 24162 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.1 NCC1=NOC=C1 15836 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.1 O=CC1=CN=CS1 14219 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.1 O=CC1=CNC=C1 18051 [0,1,0,0,0,0|1,0,1]=3 143 B7R1.1 O=CC1=CNC=N1 8980 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.1 O=CC1=CNN=C1 23658 [0,1,0,0,0,0|0,0,1]=2 145 B7R1.1 O=CC1=CNN=C1 36037 [0,1,0,0,0,0|0,0,1]=2 146 B7R1.1 O=CC1=CNN=C1 36038 [0,1,0,0,0,0|0,0,1]=2 147 B7R1.1 O=CC1=COC=C1 6948 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.1 O=CC1=CSC=C1 5176 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.1 O=CC1=NNC=C1 14337 [0,1,0,0,0,0|2,0,1]=4 150 B7R1.1 OCC1=CC=CO1 19996 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.1 OCC1=CC=CS1 5603 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.1 OCC1=CC=NO1 24993 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.1 OCC1=CN=CS1 10259 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.1 OCC1=CN=CS1 20003 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 OCC1=CN=NS1 17147 [0,1,0,0,0,0|1,0,1]=3 156 B7R1.1 OCC1=CNC=N1 9502 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.1 OCC1=CNN=C1 23620 [0,1,0,0,0,0|0,0,0]=1 158 B7R1.1 OCC1=COC=C1 6951 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.1 OCC1=CSC=C1 8860 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.1 OCC1=NN=CS1 26254 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.1 OCC1=NNC=C1 14333 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.1 OCC1=NOC=C1 24952 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.1 OCN1C=CN=C1 8052 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.1 SCC1=CC=CO1 10566 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.2 BrC1=CNC(Br)=N1 8954 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.2 BrC1=COC(Br)=C1 15732 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.2 BrC1=CSC(Br)=C1 1908 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 Brc1cnc(Br)s1 20949 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.2 CC1=CC(=O)CC1 25608 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.2 CC1=CC(Br)=CS1 5261 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.2 CC1=CC(Br)=NN1 23660 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.2 CC1=CC(Br)=NO1 22265 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.2 CC1=CC(C)=NN1 13256 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.2 CC1=CC(C)=NO1 8641 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.2 CC1=CC(N)=NN1 9406 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.2 CC1=CC(N)=NO1 8646 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.2 CC1=CC(O)=NO1 8647 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.2 CC1=CC=C(Br)O1 36047 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.2 CC1=CC=C(Br)S1 5193 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.2 CC1=CC=C(C)S1 5194 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.2 CC1=CC=C(Cl)S1 5197 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.2 CC1=CC=C(I)S1 7417 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.2 CC1=CC=C(O)O1 22254 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.2 CC1=CCC(=O)O1 16859 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.2 CC1=CN(C)C=N1 16470 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.2 CC1=CN(C)N=C1 20859 [0,1,0,0,0,0|0,0,0]=1 187 B7R1.2 CC1=CN=C(Br)S1 20436 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.2 CC1=CN=C(Cl)S1 26055 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.2 CC1=CN=C(N)S1 9924 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.2 CC1=CNC(C)=C1 24003 [0,1,0,0,0,0|1,0,0]=2 191 B7R1.2 CC1=CNC(C)=N1 18587 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.2 CC1=COC(C)=N1 8635 [0,1,0,0,0,0|3,0,0]=4 193 B7R1.2 CC1=COC(O)=C1 22255 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 CC1=CSC(C)=N1 9937 [0,1,0,0,0,0|3,0,0]=4 195 B7R1.2 CC1=CSC(N)=N1 9925 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.2 CC1=NC(Br)=CN1 7595 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.2 CC1=NC(I)=CN1 25227 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.2 CC1=NC(N)=NO1 17116 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.2 CC1=NC=C(Br)S1 24165 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.2 CC1=NC=C(I)S1 27982 [0,1,0,0,0,0|3,0,0]=4 201 B7R1.2 CC1=NN(C)C=C1 9119 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.2 CC1=NN=C(Br)S1 15769 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.2 CC1=NN=C(C)S1 23972 [0,1,0,0,0,0|3,0,0]=4 204 B7R1.2 CC1=NN=C(N)N1 33558 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.2 CC1=NN=C(S)S1 9932 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.2 CC1=NOC(Br)=C1 22269 [0,1,0,0,0,0|3,0,0]=4 207 B7R1.2 CC1=NSC(Br)=C1 22268 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.2 CC1=NSC(N)=C1 9737 [0,1,0,0,0,0|3,0,0]=4 209 B7R1.2 CN1C=C(Br)C=N1 16867 [0,1,0,0,0,0|1,0,0]=2 210 B7R1.2 CN1C=C(Br)N=N1 18355 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.2 CN1C=C(I)C=N1 24346 [0,1,0,0,0,0|1,0,0]=2 212 B7R1.2 CN1C=C(N)C=N1 32367 [0,1,0,0,0,0|1,0,0]=2 213 B7R1.2 CN1C=C(N)C=N1 35967 [0,1,0,0,0,0|1,0,0]=2 214 B7R1.2 CN1C=CC(Br)=N1 36082 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.2 CN1C=CC(I)=N1 27823 [0,1,0,0,0,0|3,0,0]=4 216 B7R1.2 CN1C=CC(N)=N1 9118 [0,1,0,0,0,0|3,0,0]=4 217 B7R1.2 CN1C=NC(Br)=C1 29311 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.2 CN1C=NC(Br)=C1 29312 [0,1,0,0,0,0|2,0,0]=3 219 B7R1.2 CN1C=NC(I)=C1 8046 [0,1,0,0,0,0|2,0,0]=3 220 B7R1.2 CN1C=NC(N)=N1 34530 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.2 CN1N=CC(Br)=N1 27855 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.2 CN1N=NC(N)=N1 19906 [0,1,0,0,0,0|3,0,0]=4 223 B7R1.2 ClC1=CN=C(Br)S1 27360 [0,1,0,0,0,0|3,0,0]=4 224 B7R1.2 ClC1=NC=C(Br)S1 27359 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.2 NC1=NC=C(Br)S1 14119 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.2 NC1=NC=C(Br)S1 14121 [0,1,0,0,0,0|3,0,0]=4 227 B7R1.2 NC1=NC=C(Br)S1 15347 [0,1,0,0,0,0|3,0,0]=4 228 B7R1.2 NC1=NC=C(Cl)S1 23694 [0,1,0,0,0,0|3,0,0]=4 229 B7R1.2 NC1=NC=C(Cl)S1 27825 [0,1,0,0,0,0|3,0,0]=4 230 B7R1.2 NC1=NC=C(F)S1 27358 [0,1,0,0,0,0|3,0,0]=4 231 B7R1.2 NC1=NNC(O)=C1 11239 [0,1,0,0,0,0|3,0,0]=4 232 B7R1.2 NC1=NNC(O)=C1 16906 [0,1,0,0,0,0|3,0,0]=4 233 B7R1.4 BrC1=C(Br)NN=N1 21877 [0,1,0,0,0,0|2,0,0]=3 234 B7R1.4 BrC1=C(Br)SC=C1 5511 [0,1,0,0,0,0|3,0,0]=4 235 B7R1.4 BrC1=C(Br)SC=N1 33362 [0,1,0,0,0,0|3,0,0]=4 236 B7R1.4 BrC1=COC=C1Br 22666 [0,1,0,0,0,0|3,0,0]=4 237 B7R1.4 BrC1=CSC=C1Br 5510 [0,1,0,0,0,0|3,0,0]=4 238 B7R1.4 BrC1=CSC=C1I 34836 [0,1,0,0,0,0|3,0,0]=4 239 B7R1.4 CC1=C(Br)N=CN1 9011 [0,1,0,0,0,0|2,0,0]=3 240 B7R1.4 CC1=C(Br)SC=C1 5191 [0,1,0,0,0,0|2,0,0]=3 241 B7R1.4 CC1=C(C)NC=N1 18123 [0,1,0,0,0,0|2,0,0]=3 242 B7R1.4 CC1=C(C)NC=N1 8044 [0,1,0,0,0,0|2,0,0]=3 243 B7R1.4 CC1=C(C)SC=C1 7751 [0,1,0,0,0,0|2,0,0]=3 244 B7R1.4 CC1=C(C)SC=N1 9938 [0,1,0,0,0,0|2,0,0]=3 245 B7R1.4 CC1=C(Cl)SC=C1 5164 [0,1,0,0,0,0|2,0,0]=3 246 B7R1.4 CC1=C(I)N=CN1 35177 [0,1,0,0,0,0|2,0,0]=3 247 B7R1.4 CC1=C(N)ON=C1 19884 [0,1,0,0,0,0|1,0,0]=2 248 B7R1.4 CC1=C(S)C=CO1 7060 [0,1,0,0,0,0|3,0,0]=4 249 B7R1.4 CC1=C(S)C=CO1 9968 [0,1,0,0,0,0|3,0,0]=4 250 B7R1.4 CC1=CC=NN1C 9121 [0,1,0,0,0,0|2,0,0]=3 251 B7R1.4 CC1=CNN=C1C 36259 [0,1,0,0,0,0|0,0,0]=1 252 B7R1.4 CC1=COC=C1C 15014 [0,1,0,0,0,0|2,0,0]=3 253 B7R1.4 CC1=CSC=C1Br 21832 [0,1,0,0,0,0|2,0,0]=3 254 B7R1.4 CC1=NC=CN1C 15975 [0,1,0,0,0,0|2,0,0]=3 255 B7R1.4 CC1=NNC=C1Br 22533 [0,1,0,0,0,0|1,0,0]=2 256 B7R1.4 CC1=NNC=C1I 12661 [0,1,0,0,0,0|1,0,0]=2 257 B7R1.4 CC1CCNC1=O 18075 [0,1,0,0,0,0|1,0,2]=4 258 B7R1.4 CN1C=CN=C1Br 7594 [0,1,0,0,0,0|2,0,0]=3 259 B7R1.4 CN1C=CN=C1Cl 7596 [0,1,0,0,0,0|2,0,0]=3 260 B7R1.4 CN1C=CN=C1I 16310 [0,1,0,0,0,0|2,0,0]=3 261 B7R1.4 CN1C=CN=C1N 23735 [0,1,0,0,0,0|2,0,0]=3 262 B7R1.4 CN1C=NC=C1Br 8951 [0,1,0,0,0,0|2,0,0]=3 263 B7R1.4 CN1C=NC=C1Cl 7612 [0,1,0,0,0,0|2,0,0]=3 264 B7R1.4 CN1C=NC=C1I 8949 [0,1,0,0,0,0|2,0,0]=3 265 B7R1.4 CN1C=NN=C1N 19900 [0,1,0,0,0,0|1,0,1]=3 266 B7R1.4 CN1N=CC=C1Br 23726 [0,1,0,0,0,0|3,0,0]=4 267 B7R1.4 CN1N=CC=C1N 9123 [0,1,0,0,0,0|3,0,0]=4 268 B7R1.4 CN1N=CN=C1N 34234 [0,1,0,0,0,0|3,0,0]=4 269 B7R1.4 CN1N=NC=C1Br 27299 [0,1,0,0,0,0|2,0,1]=4 270 B7R1.4 CN1N=NC=C1I 27676 [0,1,0,0,0,0|2,0,1]=4 271 B7R1.4 CN1N=NN=C1S 9167 [0,1,0,0,0,0|2,0,1]=4 272 B7R1.4 ClC1=C(Br)C=CS1 5259 [0,1,0,0,0,0|3,0,0]=4 273 B7R1.4 ClC1=C(Br)SC=C1 33539 [0,1,0,0,0,0|3,0,0]=4 274 B7R1.4 ClC1=C(Cl)NC=N1 12880 [0,1,0,0,0,0|3,0,0]=4 275 B7R1.4 ClC1=C(Cl)SC=C1 15351 [0,1,0,0,0,0|3,0,0]=4 276 B7R1.4 ClC1=NSN=C1Cl 20790 [0,1,0,0,0,0|3,0,0]=4 277 B7R1.4 FC1=CSC=C1F 35628 [0,1,0,0,0,0|3,0,0]=4 278 B7R1.4 IC1=C(I)NC=N1 34911 [0,1,0,0,0,0|3,0,0]=4 279 B7R1.4 NC1=CSC=C1N 18368 [0,1,0,0,0,0|3,0,0]=4 280 B7R1.4 NC1=CSC=C1N 21822 [0,1,0,0,0,0|3,0,0]=4 281 B7R1.4 NC1=NC=CN1N 22689 [0,1,0,0,0,0|3,0,0]=4 282 B7R1.4 NC1=NNC=C1Br 23941 [0,1,0,0,0,0|1,0,0]=2 283 B7R1.4 NC1=NON=C1N 21086 [0,1,0,0,0,0|3,0,0]=4 284 B7R1.4 OC1=C(O)OC=C1 22257 [0,1,0,0,0,0|3,0,0]=4 285 B5R0.1 CC(=O)\C=N\O 13359 [0,0,1,0,0,0|2,0,0]=3 286 B5R0.1 CC(=O)\C=N\O 31878 [0,0,1,0,0,0|2,0,0]=3 287 B5R0.1 CC(C)=CC=O 3075 [0,0,1,0,0,0|2,0,1]=4 288 B5R0.1 CC(C)=CCBr 35170 [0,0,1,0,0,0|2,0,1]=4 289 B7R1.3 BrC1=CC=CN=C1 2571 [0,0,0,0,0,1|2,0,0]=3 290 B7R1.3 BrC1=CC=NC=C1 15950 [0,0,0,0,0,1|2,0,0]=3 291 B7R1.3 BrC1=CC=NC=C1 2589 [0,0,0,0,0,1|2,0,0]=3 292 B7R1.3 BrC1=CN=CN=C1 6902 [0,0,0,0,0,1|1,0,1]=3 293 B7R1.3 BrC1=NC=CC=C1 2570 [0,0,0,0,0,1|3,0,0]=4 294 B7R1.3 BrC1=NC=CN=C1 18036 [0,0,0,0,0,1|2,0,0]=3 295 B7R1.3 CC1=CC=CN=N1 17696 [0,0,0,0,0,1|2,0,0]=3 296 B7R1.3 CC1=CN=CN=C1 7207 [0,0,0,0,0,1|0,0,1]=2 297 B7R1.3 CC1=NC=CC=C1 15899 [0,0,0,0,0,1|2,0,0]=3 298 B7R1.3 CC1=NC=CC=N1 21974 [0,0,0,0,0,1|3,0,0]=4 299 B7R1.3 CC1=NC=CN=C1 8601 [0,0,0,0,0,1|1,0,0]=2 300 B7R1.3 CC1=NC=NC=C1 20803 [0,0,0,0,0,1|1,0,0]=2 301 B7R1.3 Cc1ccccn1 18185 [0,0,0,0,0,1|2,0,0]=3 302 B7R1.3 ClC1=CC=CN=C1 2576 [0,0,0,0,0,1|2,0,0]=3 303 B7R1.3 ClC1=CC=CN=N1 19779 [0,0,0,0,0,1|3,0,0]=4 304 B7R1.3 ClC1=CC=NC=C1 1195 [0,0,0,0,0,1|2,0,0]=3 305 B7R1.3 ClC1=CC=NC=C1 23503 [0,0,0,0,0,1|2,0,0]=3 306 B7R1.3 ClC1=CN=CN=C1 7041 [0,0,0,0,0,1|1,0,1]=3 307 B7R1.3 ClC1=NC=CC=C1 13200 [0,0,0,0,0,1|3,0,0]=4 308 B7R1.3 ClC1=NC=CN=C1 8546 [0,0,0,0,0,1|2,0,0]=3 309 B7R1.3 ClC1=NC=NC=C1 15531 [0,0,0,0,0,1|2,0,0]=3 310 B7R1.3 FC1=CC=CC=C1 29401 [0,0,0,0,0,1|3,0,0]=4 311 B7R1.3 FC1=CC=CN=C1 1095 [0,0,0,0,0,1|2,0,0]=3 312 B7R1.3 FC1=CC=NC=C1 14322 [0,0,0,0,0,1|2,0,0]=3 313 B7R1.3 FC1=CC=NC=C1 2616 [0,0,0,0,0,1|2,0,0]=3 314 B7R1.3 FC1=CN=CN=C1 7193 [0,0,0,0,0,1|1,0,1]=3 315 B7R1.3 FC1=NC=CC=C1 1094 [0,0,0,0,0,1|3,0,0]=4 316 B7R1.3 FC1=NC=CN=C1 13961 [0,0,0,0,0,1|2,0,0]=3 317 B7R1.3 FC1=NC=NC=C1 13598 [0,0,0,0,0,1|2,0,0]=3 318 B7R1.3 IC1=CC=CC=C1 2143 [0,0,0,0,0,1|3,0,0]=4 319 B7R1.3 IC1=CC=CC=C1 3921 [0,0,0,0,0,1|3,0,0]=4 320 B7R1.3 IC1=CC=CN=C1 6634 [0,0,0,0,0,1|2,0,0]=3 321 B7R1.3 IC1=CC=NC=C1 2584 [0,0,0,0,0,1|2,0,0]=3 322 B7R1.3 IC1=CN=CN=C1 25074 [0,0,0,0,0,1|1,0,1]=3 323 B7R1.3 IC1=NC=CC=C1 4074 [0,0,0,0,0,1|3,0,0]=4 324 B7R1.3 IC1=NC=NC=C1 33551 [0,0,0,0,0,1|2,0,0]=3 325 B7R1.3 NC1=CC=CN=C1 2569 [0,0,0,0,0,1|2,0,0]=3 326 B7R1.3 NC1=CC=CN=N1 16747 [0,0,0,0,0,1|3,0,0]=4 327 B7R1.3 NC1=CC=CN=N1 9538 [0,0,0,0,0,1|3,0,0]=4 328 B7R1.3 NC1=CC=NC=C1 1281 [0,0,0,0,0,1|2,0,0]=3 329 B7R1.3 NC1=CN=CN=C1 25064 [0,0,0,0,0,1|1,0,1]=3 330 B7R1.3 NC1=NC=CC=C1 10484 [0,0,0,0,0,1|3,0,0]=4 331 B7R1.3 NC1=NC=CN=C1 8600 [0,0,0,0,0,1|2,0,0]=3 332 B7R1.3 NC1=NC=NC=C1 21825 [0,0,0,0,0,1|2,0,0]=3 333 B7R1.3 NC1=NC=NC=N1 14498 [0,0,0,0,0,1|3,0,0]=4 334 B7R1.3 O=C1C=CC=NN1 9528 [0,0,0,0,0,1|3,0,0]=4 335 B7R1.3 OC1=CC=CN=C1 2568 [0,0,0,0,0,1|2,0,0]=3 336 B7R1.3 OC1=CC=NC=C1 1116 [0,0,0,0,0,1|2,0,0]=3 337 B7R1.3 OC1=CN=CN=C1 20799 [0,0,0,0,0,1|1,0,1]=3 338 B7R1.3 OC1=C[NH+]=CN=C1 23934 [0,0,0,0,0,1|1,0,1]=3 339 B7R1.3 OC1=NC=CC=C1 2567 [0,0,0,0,0,1|3,0,0]=4 340 B7R1.3 OC1=NC=CN=C1 8869 [0,0,0,0,0,1|2,0,0]=3 341 B7R1.3 OC1=NC=NC=C1 11012 [0,0,0,0,0,1|2,0,0]=3 342 B7R1.3 OC1=NC=NC=C1 20805 [0,0,0,0,0,1|2,0,0]=3 343 B7R1.3 PC1=CC=CC=C1 25514 [0,0,0,0,0,1|3,0,0]=4 344 B7R1.3 SC1=CC=CC=C1 5421 [0,0,0,0,0,1|3,0,0]=4 345 B7R1.3 SC1=CC=NC=C1 9746 [0,0,0,0,0,1|2,0,0]=3 346 B7R1.3 SC1=NC=CC=C1 10835 [0,0,0,0,0,1|3,0,0]=4 347 B7R1.3 SC1=NC=CC=C1 16329 [0,0,0,0,0,1|3,0,0]=4 348 B7R1.3 [Li]C1=CC=CC=C1 26659 [0,0,0,0,0,1|3,0,0]=4 349 B7R1.3 [O-][N+]1=CN=CC=C1 13269 [0,0,0,0,0,1|3,0,0]=4 350 B7R1.3 [S-]C1=CC=CC=C1 35336 [0,0,0,0,0,1|3,0,0]=4 351 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [0,0,0,0,0,1|2,1,0]=4 352 B4R0.1 C=C(C)CCl 20429 [1,0,1,0,0,0|1,0,1]=4 353 B4R0.1 C=CC(N)=O 14147 [1,0,1,0,0,0|2,0,0]=4 354 B4R0.1 CC(C)=CBr 29713 [1,0,1,0,0,0|1,0,1]=4 355 B4R0.1 CC=C(C)C 2026 [1,0,1,0,0,0|1,0,1]=4 356 B4R0.1 COC(C)=N 2122 [1,0,1,0,0,0|2,0,0]=4 357 B4R0.1 C\C(N)=N\O 31948 [1,0,1,0,0,0|2,0,0]=4 358 B4R0.1 C\C=C(/C)Br 29073 [1,0,1,0,0,0|2,0,0]=4 359 B4R0.2 C=CCCN 10268 [1,0,1,0,0,0|1,0,1]=4 360 B4R0.2 C=CCCN 36002 [1,0,1,0,0,0|1,0,1]=4 361 B4R0.2 C\C=C\CC 19602 [1,0,1,0,0,0|1,0,1]=4 362 B4R0.2 C\C=C\CO 21075 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.1 CC\C=C(/C)C=O 36081 [0,1,1,0,0,0|2,0,0]=4 364 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,1,1,0,0,0|2,0,0]=4 365 B6R0.4 C=C(C)CNCC 10272 [0,1,1,0,0,0|1,0,1]=4 366 B8R1.2 BrCC1=CC=CC=C1 13143 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.2 BrCC1=CC=CN=C1 17664 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.2 BrCC1=NC=NC=C1 23940 [0,1,0,0,0,1|1,0,0]=3 369 B8R1.2 Br[Mg]C1=CN=CN=C1 2073 [0,1,0,0,0,1|1,0,1]=4 370 B8R1.2 C#CC1=CC=CN=C1 16106 [0,1,0,0,0,1|1,0,1]=4 371 B8R1.2 C#CC1=CC=NC=C1 19527 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.2 CCC1=NC=NC=C1 23618 [0,1,0,0,0,1|1,0,0]=3 373 B8R1.2 CNC1=CC=CN=C1 14983 [0,1,0,0,0,1|1,0,0]=3 374 B8R1.2 CNC1=CC=NC=C1 12915 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.2 CNC1=CN=CN=C1 25066 [0,1,0,0,0,1|0,0,1]=3 376 B8R1.2 COC1=CC=CC=C1 12830 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.2 COC1=CC=CC=C1 17272 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.2 COC1=CC=CN=C1 15370 [0,1,0,0,0,1|1,0,0]=3 379 B8R1.2 COC1=CC=NC=C1 2585 [0,1,0,0,0,1|1,0,0]=3 380 B8R1.2 COC1=CN=CN=C1 25073 [0,1,0,0,0,1|0,0,1]=3 381 B8R1.2 COC1=NC=CC=C1 13201 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.2 COC1=NC=CN=C1 8605 [0,1,0,0,0,1|1,0,0]=3 383 B8R1.2 COC1=NC=NC=C1 21029 [0,1,0,0,0,1|1,0,0]=3 384 B8R1.2 CSC1=CC=CC=C1 10578 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.2 CSC1=NC=CC=C1 35938 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.2 CSC1=NC=CN=C1 8604 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.2 ClCC1=CC=CN=C1 9217 [0,1,0,0,0,1|1,0,0]=3 388 B8R1.2 ClCC1=CC=NC=C1 15905 [0,1,0,0,0,1|1,0,0]=3 389 B8R1.2 ClCC1=NC=CC=C1 16732 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.2 ClCC1=NC=CC=C1 36036 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.2 ClCC1=NC=CN=C1 32160 [0,1,0,0,0,1|1,0,0]=3 392 B8R1.2 N#CC1=CC=CN=C1 11233 [0,1,0,0,0,1|1,0,1]=4 393 B8R1.2 N#CC1=CC=NC=C1 11155 [0,1,0,0,0,1|1,0,1]=4 394 B8R1.2 N#CC1=CN=CN=C1 11102 [0,1,0,0,0,1|0,0,2]=4 395 B8R1.2 N#CC1=NC=CN=C1 8603 [0,1,0,0,0,1|1,0,1]=4 396 B8R1.2 N#CC1=NC=NC=C1 21035 [0,1,0,0,0,1|1,0,1]=4 397 B8R1.2 NCC1=CC=CC=C1 25530 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.2 NCC1=CC=CN=C1 11140 [0,1,0,0,0,1|1,0,0]=3 399 B8R1.2 NCC1=CC=NC=C1 12407 [0,1,0,0,0,1|1,0,0]=3 400 B8R1.2 NCC1=NC=CC=C1 11142 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.2 NCC1=NC=CN=C1 17822 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.2 NNC1=CC=NC=C1 16313 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.2 NNC1=NC=CN=C1 18786 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.2 O=CC1=CC=CN=C1 1124 [0,1,0,0,0,1|1,0,1]=4 405 B8R1.2 O=CC1=CC=NC=C1 11745 [0,1,0,0,0,1|1,0,1]=4 406 B8R1.2 O=CC1=CN=CN=C1 5298 [0,1,0,0,0,1|0,0,2]=4 407 B8R1.2 O=CC1=NC=CN=C1 32140 [0,1,0,0,0,1|1,0,1]=4 408 B8R1.2 OCC1=CC=CN=C1 11736 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.2 OCC1=CC=NC=C1 11738 [0,1,0,0,0,1|1,0,0]=3 410 B8R1.2 OCC1=CN=CN=C1 9758 [0,1,0,0,0,1|0,0,1]=3 411 B8R1.2 OCC1=NC=CC=C1 9301 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.2 OCC1=NC=CN=C1 32128 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.2 OCC1=NC=NC=C1 9756 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.2 SCC1=CC=CC=C1 6835 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.2 SCC1=CC=CN=C1 25049 [0,1,0,0,0,1|1,0,0]=3 416 B8R1.2 SCC1=CC=NC=C1 25053 [0,1,0,0,0,1|1,0,0]=3 417 B8R1.2 SCC1=NC=CC=C1 25013 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.2 SCC1=NC=CN=C1 32116 [0,1,0,0,0,1|1,0,0]=3 419 B8R1.3 BrC1=CN=C(Br)C=C1 1111 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.3 BrC1=CN=C(Br)C=N1 18033 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.3 BrC1=CN=C(Br)N=C1 17477 [0,1,0,0,0,1|1,0,1]=4 422 B8R1.3 BrC1=CN=C(I)C=C1 2409 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.3 BrC1=CN=C(I)N=C1 6900 [0,1,0,0,0,1|1,0,1]=4 424 B8R1.3 BrC1=NC=C(I)C=C1 5969 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.3 BrC1=NC=C(I)C=N1 34786 [0,1,0,0,0,1|1,0,1]=4 426 B8R1.3 BrC1=NC=C(I)N=C1 22622 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.3 CC1=CC=C(Br)C=C1 21011 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.3 CC1=CC=C(Br)N=N1 28224 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.3 CC1=CC=C(C)N=N1 20402 [0,1,0,0,0,1|2,0,0]=4 430 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.3 CC1=CC=C(Cl)N=N1 10467 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.3 CC1=CC=C(F)C=C1 12887 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.3 CC1=CC=C(I)C=C1 4548 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.3 CC1=CC=C(O)C=C1 23326 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.3 CC1=CC=C(S)C=C1 6809 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.3 CC1=CN=C(Br)C=C1 1185 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.3 CC1=CN=C(Br)C=N1 18038 [0,1,0,0,0,1|1,0,0]=3 438 B8R1.3 CC1=CN=C(Br)N=C1 34383 [0,1,0,0,0,1|0,0,1]=3 439 B8R1.3 CC1=CN=C(C)C=C1 20994 [0,1,0,0,0,1|1,0,0]=3 440 B8R1.3 CC1=CN=C(C)C=N1 8608 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.3 CC1=CN=C(Cl)N=C1 11095 [0,1,0,0,0,1|0,0,1]=3 443 B8R1.3 CC1=CN=C(F)C=C1 4059 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.3 CC1=CN=C(I)N=C1 34875 [0,1,0,0,0,1|0,0,1]=3 445 B8R1.3 CC1=CN=C(N)C=C1 1159 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.3 CC1=CN=C(N)C=N1 15710 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.3 CC1=CN=C(O)C=C1 14321 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.3 CC1=CN=C(O)C=C1 27251 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.3 CC1=NC=C(Br)C=C1 4058 [0,1,0,0,0,1|2,0,0]=4 450 B8R1.3 CC1=NC=C(Br)C=N1 15231 [0,1,0,0,0,1|1,0,1]=4 451 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.3 CC1=NC=C(F)C=C1 2224 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.3 CC1=NC=C(I)C=C1 6698 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.3 CC1=NC=C(N)C=C1 1280 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.3 CC1=NC=C(N)C=N1 22766 [0,1,0,0,0,1|1,0,1]=4 456 B8R1.3 CC1=NC=C(O)C=C1 6696 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.3 CC1=NC=C(O)C=N1 21855 [0,1,0,0,0,1|1,0,1]=4 458 B8R1.3 CC1=NNC(=O)C=C1 28171 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.3 ClC1=CN=C(Br)C=C1 1169 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.3 ClC1=CN=C(Br)N=C1 17481 [0,1,0,0,0,1|1,0,1]=4 461 B8R1.3 ClC1=CN=C(Cl)C=C1 1199 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.3 ClC1=CN=C(Cl)C=N1 23583 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.3 ClC1=CN=C(Cl)N=C1 13600 [0,1,0,0,0,1|1,0,1]=4 464 B8R1.3 ClC1=CN=C(I)C=C1 6574 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.3 ClC1=CN=C(I)N=C1 14957 [0,1,0,0,0,1|1,0,1]=4 466 B8R1.3 ClC1=NC=C(Br)C=C1 1168 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.3 ClC1=NC=C(Br)C=N1 5159 [0,1,0,0,0,1|1,0,1]=4 468 B8R1.3 ClC1=NC=C(I)C=C1 2078 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.3 ClC1=NC=C(I)C=N1 21488 [0,1,0,0,0,1|1,0,1]=4 470 B8R1.3 FC1=CN=C(Br)C=C1 1099 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.3 FC1=CN=C(Br)C=N1 27381 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.3 FC1=CN=C(Cl)C=C1 1097 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.3 FC1=CN=C(Cl)N=C1 4684 [0,1,0,0,0,1|1,0,1]=4 474 B8R1.3 FC1=CN=C(F)C=C1 14398 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.3 FC1=NC=C(Br)C=C1 3550 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.3 FC1=NC=C(Br)C=N1 3589 [0,1,0,0,0,1|1,0,1]=4 477 B8R1.3 FC1=NC=C(Cl)C=C1 1186 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.3 FC1=NC=C(I)C=C1 6324 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.3 IC1=CN=C(I)C=C1 5524 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.3 NC1=CN=C(Br)C=C1 1100 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.3 NC1=CN=C(Br)N=C1 24711 [0,1,0,0,0,1|1,0,1]=4 482 B8R1.3 NC1=CN=C(Cl)C=C1 2406 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.3 NC1=CN=C(Cl)N=C1 6963 [0,1,0,0,0,1|1,0,1]=4 484 B8R1.3 NC1=CN=C(F)C=C1 1155 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.3 NC1=CN=C(I)C=C1 6572 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.3 NC1=CN=C(N)C=C1 13202 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.3 NC1=CN=C(N)C=C1 5497 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.3 NC1=CN=C(O)C=C1 14125 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.3 NC1=CN=C(O)C=C1 6563 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.3 NC1=NC=C(Br)C=C1 1107 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.3 NC1=NC=C(Br)C=N1 6986 [0,1,0,0,0,1|1,0,1]=4 492 B8R1.3 NC1=NC=C(Br)N=C1 8867 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.3 NC1=NC=C(Cl)C=C1 1153 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.3 NC1=NC=C(Cl)C=N1 9619 [0,1,0,0,0,1|1,0,1]=4 495 B8R1.3 NC1=NC=C(Cl)N=C1 17501 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.3 NC1=NC=C(F)C=C1 1109 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.3 NC1=NC=C(I)C=C1 2407 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.3 NC1=NC=C(I)N=C1 23605 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.3 NC1=NC=C(O)C=C1 5754 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.3 NC1=NC=C(O)C=N1 21503 [0,1,0,0,0,1|1,0,1]=4 501 B8R1.3 NC1=NC=C(O)N=C1 35940 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.3 O=C1N=CC(Br)=CN1 6903 [0,1,0,0,0,1|1,0,0]=3 503 B8R1.3 OC1=CC=C(Br)N=C1 24844 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.3 OC1=CN=C(Br)C=C1 5967 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.3 OC1=CN=C(Br)C=N1 7870 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.3 OC1=CN=C(Cl)N=C1 10664 [0,1,0,0,0,1|1,0,1]=4 508 B8R1.3 OC1=CN=C(F)C=C1 6321 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.3 OC1=CN=C(O)C=C1 5522 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.3 OC1=NC=C(Br)C=C1 1178 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.3 OC1=NC=C(Br)C=N1 24602 [0,1,0,0,0,1|1,0,1]=4 512 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.3 OC1=NC=C(Cl)C=N1 7009 [0,1,0,0,0,1|1,0,1]=4 514 B8R1.3 OC1=NC=C(Cl)N=C1 23585 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.3 OC1=NC=C(F)C=C1 6566 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.3 OC1=NC=C(I)C=C1 6567 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.3 SC1=NC=C(Cl)C=C1 19566 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 BrC1=CC(Br)=NC=C1 5452 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 BrC1=CC(Br)=NC=C1 5453 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 BrC1=CC(Br)=NC=N1 27354 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 BrC1=CC(I)=CN=C1 8080 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.4 BrC1=CN=CC(Br)=C1 2133 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.4 BrC1=CN=CC(Br)=N1 32156 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 BrC1=CN=NC(Br)=C1 28202 [0,1,0,0,0,1|1,0,1]=4 525 B8R1.4 BrC1=NC(Br)=NC=C1 6894 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.4 BrC1=NC=CC(I)=C1 5956 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,1,0,0,0,1|0,0,0]=2 528 B8R1.4 CC1=CC(Br)=CC=C1 3836 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.4 CC1=CC(Br)=NC=C1 1184 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.4 CC1=CC(Br)=NC=N1 23632 [0,1,0,0,0,1|1,0,0]=3 531 B8R1.4 CC1=CC(C)=NC=C1 20508 [0,1,0,0,0,1|1,0,0]=3 532 B8R1.4 CC1=CC(C)=NC=N1 21498 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.4 CC1=CC(Cl)=NC=N1 13240 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.4 CC1=CC(F)=NC=C1 1203 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.4 CC1=CC(I)=CC=C1 12585 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.4 CC1=CC(I)=NC=C1 13513 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.4 CC1=CC(N)=NC=C1 2238 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.4 CC1=CC(O)=NC=C1 1206 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.4 CC1=CC(O)=NC=N1 11013 [0,1,0,0,0,1|1,0,0]=3 542 B8R1.4 CC1=CC=CC(Br)=N1 1139 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.4 CC1=CC=CC(C)=N1 14295 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.4 CC1=CC=CC(C)=N1 15897 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.4 CC1=CC=CC(F)=C1 24460 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.4 CC1=CC=CC(F)=N1 6443 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.4 CC1=CC=CC(I)=N1 34165 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.4 CC1=CC=CC(N)=N1 5922 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.4 CC1=CC=CC(O)=N1 1114 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.4 CC1=CC=CC(S)=C1 6808 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.4 CC1=CC=C[N+]([O-])=C1 25351 [0,1,0,0,0,1|1,0,1]=4 553 B8R1.4 CC1=CN=CC(Br)=C1 4036 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.4 CC1=CN=CC(Br)=N1 32151 [0,1,0,0,0,1|1,0,0]=3 555 B8R1.4 CC1=CN=CC(C)=N1 8609 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.4 CC1=CN=CC(Cl)=N1 18034 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.4 CC1=CN=CC(F)=C1 10630 [0,1,0,0,0,1|1,0,0]=3 558 B8R1.4 CC1=CN=CC(N)=C1 1279 [0,1,0,0,0,1|1,0,0]=3 559 B8R1.4 CC1=CN=CC(N)=C1 9634 [0,1,0,0,0,1|1,0,0]=3 560 B8R1.4 CC1=CN=CC(N)=N1 32122 [0,1,0,0,0,1|1,0,0]=3 561 B8R1.4 CC1=CN=CC(O)=C1 6629 [0,1,0,0,0,1|1,0,0]=3 562 B8R1.4 CC1=CN=NC(Cl)=C1 11014 [0,1,0,0,0,1|0,0,1]=3 563 B8R1.4 CC1=NC(Br)=NC=C1 7007 [0,1,0,0,0,1|1,0,0]=3 564 B8R1.4 CC1=NC(Cl)=NC=C1 6906 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.4 CC1=NC(N)=NC=C1 6978 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.4 CC1=NC(O)=NC=C1 22005 [0,1,0,0,0,1|1,0,0]=3 567 B8R1.4 CC1=NC(S)=NC=C1 21990 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.4 CC1=NC=CC(Br)=C1 4035 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.4 CC1=NC=CC(Cl)=N1 16387 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.4 CC1=NC=CC(F)=C1 21038 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.4 CC1=NC=CC(N)=C1 1118 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.4 CC1=NC=CC(O)=C1 17657 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.4 ClC1=CC(Br)=NC=C1 13533 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.4 ClC1=CC(Br)=NC=N1 33259 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.4 ClC1=CC(Cl)=NC=C1 3531 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.4 ClC1=CC(Cl)=NC=N1 6913 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.4 ClC1=CC(I)=CN=C1 16622 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.4 ClC1=CC(I)=NC=C1 33538 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.4 ClC1=CN=CC(Br)=C1 7700 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.4 ClC1=CN=CC(Cl)=C1 13506 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.4 ClC1=CN=CC(Cl)=N1 8548 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.4 ClC1=NC(Br)=NC=C1 27256 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.4 ClC1=NC(Cl)=NC=C1 4006 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.4 ClC1=NC=CC(Br)=C1 1171 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.4 ClC1=NC=CC(Br)=N1 27431 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.4 ClC1=NC=CC(I)=C1 2579 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.4 ClC1=NC=NC(I)=C1 33260 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.4 FC1=CC(Br)=NC=C1 3004 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.4 FC1=CC(Cl)=NC=C1 6180 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.4 FC1=CC(Cl)=NC=N1 36199 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.4 FC1=CC(F)=NC=C1 16929 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.4 FC1=CC(F)=NC=N1 32088 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.4 FC1=CC(I)=CN=C1 36304 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.4 FC1=CN=CC(Br)=C1 3964 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.4 FC1=CN=CC(Cl)=C1 6620 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.4 FC1=CN=CC(F)=C1 10556 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.4 FC1=NC=CC(Br)=C1 1228 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.4 FC1=NC=CC(Br)=N1 22389 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.4 FC1=NC=CC(Cl)=C1 13535 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.4 FC1=NC=CC(I)=C1 3510 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.4 NC1=CC(Br)=CN=C1 1213 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.4 NC1=CC(Br)=CN=N1 21540 [0,1,0,0,0,1|1,0,1]=4 604 B8R1.4 NC1=CC(Br)=NC=C1 1222 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.4 NC1=CC(Cl)=CN=C1 33660 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.4 NC1=CC(Cl)=NC=C1 1248 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.4 NC1=CC(F)=CN=C1 1260 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.4 NC1=CC(F)=NC=C1 1227 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.4 NC1=CC(I)=CN=C1 27047 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.4 NC1=CC(N)=NC=C1 5418 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.4 NC1=CC(N)=NC=N1 7074 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.4 NC1=CC(O)=NC=C1 6648 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.4 NC1=CN=CC(N)=C1 2257 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.4 NC1=CN=CC(N)=N1 32132 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.4 NC1=CN=CC(O)=C1 6627 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.4 NC1=NC(=O)NC=C1 14137 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.4 NC1=NC(Br)=CN=C1 32146 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.4 NC1=NC(Br)=NC=C1 27388 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.4 NC1=NC(Cl)=CN=C1 8386 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.4 NC1=NC(Cl)=CN=C1 8543 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.4 NC1=NC(Cl)=NC=C1 6955 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.4 NC1=NC(N)=NC=C1 7056 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.4 NC1=NC=CC(=O)N1 15780 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.4 NC1=NC=CC(Br)=C1 4039 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.4 NC1=NC=CC(Br)=N1 16291 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.4 NC1=NC=CC(Cl)=C1 5695 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.4 NC1=NC=CC(Cl)=N1 7347 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.4 NC1=NC=CC(F)=C1 19911 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.4 NC1=NC=CC(O)=C1 6677 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.4 NC1=NC=NC(Cl)=C1 6990 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.4 NC1=NC=NC(O)=C1 6996 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.4 O=C1C=C(I)C=NN1 25811 [0,1,0,0,0,1|1,0,0]=3 633 B8R1.4 O=C1C=CNC(=O)N1 14135 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.4 O=C1C=CNC(=O)N1 35602 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.4 O=C1C=CNC(=S)N1 27221 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.4 O=C1C=NNC(=O)N1 20340 [0,1,0,0,0,1|1,0,0]=3 637 B8R1.4 OC1=CC(Br)=CN=C1 9214 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.4 OC1=CC(Br)=NC=C1 23393 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.4 OC1=CC(Cl)=CN=C1 6628 [0,1,0,0,0,1|2,0,0]=4 640 B8R1.4 OC1=CC(Cl)=NC=C1 2578 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.4 OC1=CC(I)=CN=C1 27396 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.4 OC1=CC(O)=NC=C1 5487 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.4 OC1=CC(O)=NC=N1 7102 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.4 OC1=CN=CC(F)=C1 6625 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 OC1=CN=CC(O)=C1 27828 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.4 OC1=NC(Cl)=CN=C1 22112 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.4 OC1=NC(Cl)=NC=C1 19316 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.4 OC1=NC=CC(Br)=C1 6560 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.4 OC1=NC=CC(Cl)=C1 9621 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.4 OC1=NC=CC(I)=C1 27672 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 OC1=NC=NC(Cl)=C1 7030 [0,1,0,0,0,1|2,0,0]=4 652 B8R1.4 SC1=NC(S)=NC=C1 13569 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.4 [O-][N+]1=CN=CC(O)=C1 25054 [0,1,0,0,0,1|1,0,1]=4 654 B8R1.5 BrC1=C(Br)C=NC=C1 6611 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.5 BrC1=C(I)C=CN=C1 35720 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.5 BrC1=CC=CN=C1Br 5402 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.5 BrC1=CC=CN=C1I 11018 [0,1,0,0,0,1|2,0,0]=4 658 B8R1.5 BrC1=NC=CC=C1I 13529 [0,1,0,0,0,1|2,0,0]=4 659 B8R1.5 CC1=C(Br)C=CC=C1 3834 [0,1,0,0,0,1|2,0,0]=4 660 B8R1.5 CC1=C(Br)C=CN=C1 10604 [0,1,0,0,0,1|1,0,0]=3 661 B8R1.5 CC1=C(Br)C=CN=C1 6889 [0,1,0,0,0,1|1,0,0]=3 662 B8R1.5 CC1=C(Br)C=NC=C1 3994 [0,1,0,0,0,1|1,0,0]=3 663 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [0,1,0,0,0,1|2,0,0]=4 664 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [0,1,0,0,0,1|1,0,0]=3 665 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [0,1,0,0,0,1|1,0,0]=3 666 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [0,1,0,0,0,1|1,0,0]=3 667 B8R1.5 CC1=C(Cl)N=NC=C1 11015 [0,1,0,0,0,1|0,0,1]=3 668 B8R1.5 CC1=C(F)C=CN=C1 15249 [0,1,0,0,0,1|1,0,0]=3 669 B8R1.5 CC1=C(F)C=NC=C1 9251 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.5 CC1=C(I)C=CC=C1 9516 [0,1,0,0,0,1|2,0,0]=4 671 B8R1.5 CC1=C(N)C=CN=C1 1119 [0,1,0,0,0,1|1,0,0]=3 672 B8R1.5 CC1=C(N)C=NC=C1 1278 [0,1,0,0,0,1|1,0,0]=3 673 B8R1.5 CC1=C(O)C=NC=C1 15184 [0,1,0,0,0,1|1,0,0]=3 674 B8R1.5 CC1=C(O)N=NC=C1 19780 [0,1,0,0,0,1|0,0,1]=3 675 B8R1.5 CC1=C(S)C=CC=C1 6806 [0,1,0,0,0,1|2,0,0]=4 676 B8R1.5 CC1=CC=CC=C1N 20202 [0,1,0,0,0,1|2,0,0]=4 677 B8R1.5 CC1=CC=CC=C1O 15714 [0,1,0,0,0,1|2,0,0]=4 678 B8R1.5 CC1=CC=CN=C1Br 9208 [0,1,0,0,0,1|1,0,0]=3 679 B8R1.5 CC1=CC=CN=C1C 20520 [0,1,0,0,0,1|1,0,0]=3 680 B8R1.5 CC1=CC=CN=C1Cl 2074 [0,1,0,0,0,1|1,0,0]=3 681 B8R1.5 CC1=CC=CN=C1F 3992 [0,1,0,0,0,1|1,0,0]=3 682 B8R1.5 CC1=CC=CN=C1I 14399 [0,1,0,0,0,1|1,0,0]=3 683 B8R1.5 CC1=CC=CN=C1N 1217 [0,1,0,0,0,1|1,0,0]=3 684 B8R1.5 CC1=CC=CN=C1O 14401 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.5 CC1=CC=CN=C1O 8871 [0,1,0,0,0,1|1,0,0]=3 686 B8R1.5 CC1=CN=CN=C1Cl 21457 [0,1,0,0,0,1|0,0,1]=3 687 B8R1.5 CC1=NC=CC=C1Br 1220 [0,1,0,0,0,1|2,0,0]=4 688 B8R1.5 CC1=NC=CC=C1Cl 14380 [0,1,0,0,0,1|2,0,0]=4 689 B8R1.5 CC1=NC=CC=C1F 14381 [0,1,0,0,0,1|2,0,0]=4 690 B8R1.5 CC1=NC=CC=C1I 14400 [0,1,0,0,0,1|2,0,0]=4 691 B8R1.5 CC1=NC=CC=C1N 2076 [0,1,0,0,0,1|2,0,0]=4 692 B8R1.5 CC1=NC=CC=C1O 6626 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.5 CC1=NC=CN=C1Br 18035 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.5 CC1=NC=CN=C1C 8607 [0,1,0,0,0,1|1,0,0]=3 695 B8R1.5 CC1=NC=CN=C1Cl 2149 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.5 CC1=NC=CN=C1N 19617 [0,1,0,0,0,1|1,0,0]=3 697 B8R1.5 CC1=NC=CN=C1O 34244 [0,1,0,0,0,1|1,0,0]=3 698 B8R1.5 CC1=NC=NC=C1Br 17240 [0,1,0,0,0,1|1,0,0]=3 699 B8R1.5 CC1=NC=NC=C1Cl 16949 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.5 CC1=NC=NC=C1N 19924 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [0,1,0,0,0,1|2,0,0]=4 702 B8R1.5 ClC1=C(Br)C=CN=C1 1288 [0,1,0,0,0,1|2,0,0]=4 703 B8R1.5 ClC1=C(Br)C=NC=C1 1287 [0,1,0,0,0,1|2,0,0]=4 704 B8R1.5 ClC1=C(Br)C=NC=C1 27014 [0,1,0,0,0,1|2,0,0]=4 705 B8R1.5 ClC1=C(Cl)C=NC=C1 6613 [0,1,0,0,0,1|2,0,0]=4 706 B8R1.5 ClC1=C(Cl)C=NC=C1 9823 [0,1,0,0,0,1|2,0,0]=4 707 B8R1.5 ClC1=C(I)C=CN=C1 9822 [0,1,0,0,0,1|2,0,0]=4 708 B8R1.5 ClC1=C(I)C=NC=C1 8083 [0,1,0,0,0,1|2,0,0]=4 709 B8R1.5 ClC1=CC=CN=C1Br 5776 [0,1,0,0,0,1|2,0,0]=4 710 B8R1.5 ClC1=CC=CN=C1Cl 1198 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.5 ClC1=CN=CN=C1Cl 12434 [0,1,0,0,0,1|1,0,1]=4 712 B8R1.5 ClC1=CN=NC=C1Cl 19556 [0,1,0,0,0,1|1,0,1]=4 713 B8R1.5 ClC1=NC=CC=C1Br 1098 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.5 ClC1=NC=CC=C1I 1188 [0,1,0,0,0,1|2,0,0]=4 715 B8R1.5 ClC1=NC=CN=C1Cl 8547 [0,1,0,0,0,1|2,0,0]=4 716 B8R1.5 ClC1=NC=NC=C1Br 35503 [0,1,0,0,0,1|1,0,1]=4 717 B8R1.5 ClC1=NC=NC=C1I 7344 [0,1,0,0,0,1|1,0,1]=4 718 B8R1.5 FC1=C(Br)C=CN=C1 18130 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.5 FC1=C(Br)C=CN=C1 6660 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.5 FC1=C(Br)C=NC=C1 3009 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.5 FC1=C(Cl)C=CN=C1 6667 [0,1,0,0,0,1|2,0,0]=4 722 B8R1.5 FC1=C(Cl)C=CN=C1 6668 [0,1,0,0,0,1|2,0,0]=4 723 B8R1.5 FC1=C(Cl)C=NC=C1 6675 [0,1,0,0,0,1|2,0,0]=4 724 B8R1.5 FC1=C(F)C=NC=C1 16287 [0,1,0,0,0,1|2,0,0]=4 725 B8R1.5 FC1=C(I)C=CN=C1 9249 [0,1,0,0,0,1|2,0,0]=4 726 B8R1.5 FC1=CC=CN=C1Br 3002 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.5 FC1=CC=CN=C1Cl 2532 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.5 FC1=CC=CN=C1F 5414 [0,1,0,0,0,1|2,0,0]=4 729 B8R1.5 FC1=CC=CN=C1I 6569 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.5 FC1=CN=CN=C1Cl 18607 [0,1,0,0,0,1|1,0,1]=4 731 B8R1.5 FC1=NC=CC=C1Br 3008 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.5 FC1=NC=CC=C1Cl 6263 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.5 FC1=NC=CC=C1I 1231 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.5 IC1=CC=CN=C1I 9245 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.5 NC1=C(Br)C=CN=C1 6658 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.5 NC1=C(Br)C=NC=C1 1242 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.5 NC1=C(Cl)C=CN=C1 6665 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.5 NC1=C(Cl)C=NC=C1 6653 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.5 NC1=C(F)C=NC=C1 1261 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.5 NC1=C(F)C=NC=C1 26667 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.5 NC1=C(I)C=CN=C1 6681 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.5 NC1=C(I)C=NC=C1 6632 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.5 NC1=C(N)C=NC=C1 1295 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.5 NC1=C(O)C=CN=C1 6679 [0,1,0,0,0,1|2,0,0]=4 745 B8R1.5 NC1=C(O)C=NC=C1 6654 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.5 NC1=CC=CN=C1Br 5766 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.5 NC1=CC=CN=C1Cl 1096 [0,1,0,0,0,1|2,0,0]=4 748 B8R1.5 NC1=CC=CN=C1F 1259 [0,1,0,0,0,1|2,0,0]=4 749 B8R1.5 NC1=CC=CN=C1I 9292 [0,1,0,0,0,1|2,0,0]=4 750 B8R1.5 NC1=CC=CN=C1N 1296 [0,1,0,0,0,1|2,0,0]=4 751 B8R1.5 NC1=CC=CN=C1N 5394 [0,1,0,0,0,1|2,0,0]=4 752 B8R1.5 NC1=CC=CN=C1O 1263 [0,1,0,0,0,1|2,0,0]=4 753 B8R1.5 NC1=CN=CN=C1Br 34253 [0,1,0,0,0,1|1,0,1]=4 754 B8R1.5 NC1=CN=CN=C1N 44977 [0,1,0,0,0,1|1,0,1]=4 755 B8R1.5 NC1=CN=CN=C1N 7057 [0,1,0,0,0,1|1,0,1]=4 756 B8R1.5 NC1=NC=CC=C1Br 1241 [0,1,0,0,0,1|2,0,0]=4 757 B8R1.5 NC1=NC=CC=C1Cl 5562 [0,1,0,0,0,1|2,0,0]=4 758 B8R1.5 NC1=NC=CC=C1F 2976 [0,1,0,0,0,1|2,0,0]=4 759 B8R1.5 NC1=NC=CC=C1I 1265 [0,1,0,0,0,1|2,0,0]=4 760 B8R1.5 NC1=NC=CC=C1O 2574 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.5 NC1=NC=CC=C1S 16432 [0,1,0,0,0,1|2,0,0]=4 762 B8R1.5 NC1=NC=CN=C1Br 27947 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.5 NC1=NC=CN=C1Cl 16808 [0,1,0,0,0,1|2,0,0]=4 764 B8R1.5 NC1=NC=CN=C1Cl 2044 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.5 NC1=NC=CN=C1N 32139 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.5 NC1=NC=CN=C1O 27948 [0,1,0,0,0,1|2,0,0]=4 767 B8R1.5 NC1=NC=NC=C1Br 14978 [0,1,0,0,0,1|1,0,1]=4 768 B8R1.5 OC1=C(Br)C=CN=C1 6661 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.5 OC1=C(Br)C=NC=C1 6678 [0,1,0,0,0,1|2,0,0]=4 770 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [0,1,0,0,0,1|2,0,0]=4 771 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.5 OC1=CC=CN=C1Br 2572 [0,1,0,0,0,1|2,0,0]=4 773 B8R1.5 OC1=CC=CN=C1Cl 2577 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.5 OC1=CC=CN=C1F 6290 [0,1,0,0,0,1|2,0,0]=4 775 B8R1.5 OC1=CC=CN=C1I 6571 [0,1,0,0,0,1|2,0,0]=4 776 B8R1.5 OC1=CC=CN=C1O 2580 [0,1,0,0,0,1|2,0,0]=4 777 B8R1.5 OC1=NC=CC=C1Br 1177 [0,1,0,0,0,1|2,0,0]=4 778 B8R1.5 OC1=NC=CC=C1Cl 6538 [0,1,0,0,0,1|2,0,0]=4 779 B8R1.5 OC1=NC=CC=C1F 1200 [0,1,0,0,0,1|2,0,0]=4 780 B8R1.5 OC1=NC=CC=C1I 6701 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.5 OC1=NC=NC=C1Br 24352 [0,1,0,0,0,1|1,0,1]=4 782 B8R1.5 OC1=NC=NC=C1F 7191 [0,1,0,0,0,1|1,0,1]=4 783 B8R1.1 CC1=CC(C=O)=NO1 11024 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.1 CC1=CC(CCl)=NO1 8710 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.1 CC1=CC(CO)=NO1 8686 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.1 CC1=CSC(C#N)=C1 21327 [0,2,0,0,0,0|2,0,0]=4 787 B8R1.1 CC1=NNC(C=O)=C1 24109 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.1 CCC1=NC(C)=CN1 15974 [0,2,0,0,0,0|2,0,0]=4 789 B8R1.1 CCN1C=C[N+](C)=C1 44762 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.1 CC[N+]1=CN(C)C=C1 35227 [0,2,0,0,0,0|2,0,0]=4 791 B8R1.1 CC[N+]1=CN(C)C=C1 35403 [0,2,0,0,0,0|2,0,0]=4 792 B8R1.1 CN1C=C(C=O)C=N1 34544 [0,2,0,0,0,0|0,0,1]=3 793 B8R1.1 CN1C=C(CO)C=N1 13305 [0,2,0,0,0,0|0,0,0]=2 794 B8R1.1 CN1C=CC(CCl)=N1 23662 [0,2,0,0,0,0|2,0,0]=4 795 B8R1.1 CN1C=CC(CO)=N1 23752 [0,2,0,0,0,0|2,0,0]=4 796 B8R1.1 CN1C=NC(C#N)=C1 25205 [0,2,0,0,0,0|2,0,0]=4 797 B8R1.1 COC1=CC(=O)NC1 26246 [0,2,0,0,0,0|1,0,1]=4 798 B8R1.1 COC1=CC(N)=NO1 32032 [0,2,0,0,0,0|2,0,0]=4 799 B8R1.1 ClCC1=CN=C(Cl)S1 17773 [0,2,0,0,0,0|2,0,0]=4 800 B8R1.1 NCC1=CN=C(Cl)S1 35681 [0,2,0,0,0,0|2,0,0]=4 801 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,2,0,0,0,0|1,0,0]=3 802 B8R1.7 CC(=O)C1=CNC=N1 12484 [0,2,0,0,0,0|2,0,0]=4 803 B8R1.7 CC(=O)C1=CNN=C1 30409 [0,2,0,0,0,0|0,0,0]=2 804 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.7 CC(=O)N1C=CN=C1 25826 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,2,0,0,0,0|2,0,0]=4 807 B8R1.7 CC(C)C1=NNC=C1 11026 [0,2,0,0,0,0|2,0,0]=4 808 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,2,0,0,0,0|1,0,1]=4 809 B8R1.7 O=C(O)C1=CNN=C1 13293 [0,2,0,0,0,0|0,0,1]=3 810 B8R1.7 O=C(O)C1=CNN=N1 13727 [0,2,0,0,0,0|1,0,1]=4 811 B8R1.7 O=C(O)C1=CON=C1 8775 [0,2,0,0,0,0|1,0,1]=4 812 B8R1.7 O=[N+]([O-])C1=CNC=C1 22365 [0,2,0,0,0,0|2,0,0]=4 813 B8R1.7 O=[N+]([O-])C1=CNN=C1 14984 [0,2,0,0,0,0|1,0,0]=3 814 B8R1.7 O=[N+]([O-])C1=NNN=C1 17191 [0,2,0,0,0,0|2,0,0]=4 815 B8R1.7 OB(O)C1=CNC=C1 23546 [0,2,0,0,0,0|2,0,0]=4 816 B8R1.7 OB(O)C1=CNN=C1 26255 [0,2,0,0,0,0|1,0,0]=3 817 B8R1.8 CNCC1=NNC=C1 14335 [0,2,0,0,0,0|2,0,0]=4 818 B8R1.8 COCN1C=CN=C1 34774 [0,2,0,0,0,0|2,0,0]=4 819 B8R1.8 ClCCC1=CNN=C1 15789 [0,2,0,0,0,0|0,0,0]=2 820 B8R1.8 ClCCC1=CNN=C1 15791 [0,2,0,0,0,0|0,0,0]=2 821 B8R1.8 N#CCC1=CSC=C1 8862 [0,2,0,0,0,0|2,0,0]=4 822 B8R1.8 N#CCN1C=CN=C1 22718 [0,2,0,0,0,0|2,0,0]=4 823 B8R1.8 NCCC1=CNC=N1 9893 [0,2,0,0,0,0|2,0,0]=4 824 B8R1.8 NCCC1=CSC=C1 14605 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.8 NCCC1=CSC=C1 24381 [0,2,0,0,0,0|2,0,0]=4 826 B8R1.8 NCCN1C=CN=C1 12985 [0,2,0,0,0,0|2,0,0]=4 827 B8R1.8 NCCN1C=CN=C1 8054 [0,2,0,0,0,0|2,0,0]=4 828 B8R1.8 O=CCC1=CC=NO1 24239 [0,2,0,0,0,0|2,0,0]=4 829 B8R1.8 OCCC1=CNN=C1 7849 [0,2,0,0,0,0|0,0,0]=2 830 B8R1.8 OCCC1=CSC=C1 20415 [0,2,0,0,0,0|2,0,0]=4 831 B8R1.8 OCCN1C=CN=C1 7607 [0,2,0,0,0,0|2,0,0]=4 832 B8R1.11 CC1=C(C=O)N=CN1 23016 [0,2,0,0,0,0|2,0,0]=4 833 B8R1.11 CC1=C(C=O)SC=C1 5183 [0,2,0,0,0,0|2,0,0]=4 834 B8R1.11 CC1=C(C=O)SC=C1 9495 [0,2,0,0,0,0|2,0,0]=4 835 B8R1.11 CC1=C(CO)N=CN1 7608 [0,2,0,0,0,0|2,0,0]=4 836 B8R1.11 CC1=C(CO)NC=N1 21058 [0,2,0,0,0,0|2,0,0]=4 837 B8R1.11 CC1=NNC=C1C=O 16065 [0,2,0,0,0,0|0,0,1]=3 838 B8R1.11 CN1C=CN=C1C#N 23737 [0,2,0,0,0,0|2,0,0]=4 839 B8R1.11 CN1C=CN=C1C=O 7614 [0,2,0,0,0,0|2,0,0]=4 840 B8R1.11 CN1C=CN=C1CO 9047 [0,2,0,0,0,0|2,0,0]=4 841 B8R1.11 CN1C=NC=C1C=O 8047 [0,2,0,0,0,0|2,0,0]=4 842 B8R1.11 CN1C=NC=C1CO 8983 [0,2,0,0,0,0|2,0,0]=4 843 B8R1.11 CN1C=NN=C1CO 24630 [0,2,0,0,0,0|1,0,1]=4 844 B8R1.11 CSC1=NC=CN1C 31662 [0,2,0,0,0,0|2,0,0]=4 845 B8R1.11 ClC1=C(CBr)C=CS1 5202 [0,2,0,0,0,0|2,0,0]=4 846 B8R1.11 ClCC1=C(Cl)SC=C1 5200 [0,2,0,0,0,0|2,0,0]=4 847 B8R1.11 N#CC1=C(N)ON=C1 15486 [0,2,0,0,0,0|1,0,1]=4 848 B8R1.11 N#CC1=C(N)SN=C1 31703 [0,2,0,0,0,0|1,0,1]=4 849 B8R1.11 N#CC1=CNN=C1N 14006 [0,2,0,0,0,0|0,0,1]=3 850 B8R1.11 N#CC1=NNC=C1Br 10182 [0,2,0,0,0,0|1,0,0]=3 851 B8R1.11 NCC1=C(Br)SC=C1 5276 [0,2,0,0,0,0|2,0,0]=4 852 B8R1.11 OCC1=C(Br)SC=C1 22131 [0,2,0,0,0,0|2,0,0]=4 853 B8R1.18 CC1=C(Br)N=C(Br)S1 33354 [0,2,0,0,0,0|2,0,0]=4 854 B8R1.18 CC1=C(Br)N=C(N)S1 24041 [0,2,0,0,0,0|2,0,0]=4 855 B8R1.18 CC1=C(Br)NC(Br)=N1 8964 [0,2,0,0,0,0|2,0,0]=4 856 B8R1.18 CC1=C(Br)SC(Br)=C1 33363 [0,2,0,0,0,0|2,0,0]=4 857 B8R1.18 CC1=C(C)OC(N)=N1 23942 [0,2,0,0,0,0|2,0,0]=4 858 B8R1.18 CC1=C(Cl)SC(Br)=C1 33534 [0,2,0,0,0,0|2,0,0]=4 859 B8R1.18 CC1=C(Cl)SC(Cl)=C1 5195 [0,2,0,0,0,0|2,0,0]=4 860 B8R1.18 CC1=C(I)NC(I)=N1 8982 [0,2,0,0,0,0|2,0,0]=4 861 B8R1.18 CC1=CC(=O)OC1=O 35240 [0,2,0,0,0,0|2,0,0]=4 862 B8R1.18 CC1=CC(C)=NN1C 20856 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.18 CC1=NC(C)=C(C)O1 8636 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.18 CC1=NN(C)C(Cl)=C1 9980 [0,2,0,0,0,0|2,0,0]=4 865 B8R1.18 CC1=NN(C)C(N)=C1 9879 [0,2,0,0,0,0|2,0,0]=4 866 B8R1.18 CC1=NN(C)C(O)=C1 8415 [0,2,0,0,0,0|2,0,0]=4 867 B8R1.18 CN1N=C(Br)C(Br)=N1 27856 [0,2,0,0,0,0|2,0,0]=4 868 B8R1.50 CC1=C(Br)C=NN1C 45009 [0,2,0,0,0,0|1,0,0]=3 869 B8R1.50 CC1=C(C)C(N)=NN1 30322 [0,2,0,0,0,0|0,0,0]=2 870 B8R1.50 CC1=C(C)C(N)=NO1 4041 [0,2,0,0,0,0|1,0,0]=3 871 B8R1.50 CC1=NC=C(Br)N1C 23641 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.50 CC1=NNC(C)=C1Br 26523 [0,2,0,0,0,0|1,0,0]=3 873 B8R1.50 CC1=NOC(C)=C1Br 8720 [0,2,0,0,0,0|2,0,0]=4 874 B8R1.50 CC1=NOC(C)=C1I 3546 [0,2,0,0,0,0|2,0,0]=4 875 B8R1.50 CC1=NOC(C)=C1N 8659 [0,2,0,0,0,0|2,0,0]=4 876 B8R1.50 CC1=NOC(N)=C1C 8660 [0,2,0,0,0,0|1,0,0]=3 877 B8R1.50 CC1=NOC(N)=C1Cl 20103 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.50 CN1C(=O)N=NC1=O 20262 [0,2,0,0,0,0|1,0,1]=4 879 B8R1.50 CN1C(Br)=CN=C1Br 8950 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.50 CN1C(I)=CN=C1I 8993 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.50 CN1C=NC(Br)=C1Br 7600 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.50 CN1C=NC(I)=C1I 8952 [0,2,0,0,0,0|2,0,0]=4 883 B6R1.1 C1=CC=NC=C1 13729 [0,0,1,1,0,0|1,0,1]=4 884 B6R1.1 C1=CC=NC=C1 18634 [0,0,1,1,0,0|1,0,1]=4 885 B6R1.1 C1=CC=NC=C1 2590 [0,0,1,1,0,0|1,0,1]=4 886 B6R1.1 C1=CC=NC=C1 30334 [0,0,1,1,0,0|1,0,1]=4 887 B6R1.1 C1=CC=NC=C1 35414 [0,0,1,1,0,0|1,0,1]=4 888 B6R1.1 C1=CN=CC=N1 16607 [0,0,1,1,0,0|2,0,0]=4 889 B6R1.1 C1=CN=CN=C1 13257 [0,0,1,1,0,0|2,0,0]=4 890 B6R1.1 C1=CN=NC=C1 17789 [0,0,1,1,0,0|0,0,2]=4 891 B4R1.2 CC1=CC1 18904 [0,0,0,0,2,0|0,0,1]=3