0 B5R1.1 C1=CCNC1 18771 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=CCNC1 29078 [0,0,0,0,0,0|0,0,2]=2 2 B5R1.1 C1=CCOC1 3987 [0,0,0,0,0,0|1,0,2]=3 3 B5R1.1 C1=CNC=C1 16729 [0,0,0,0,0,0|0,0,0]=0 4 B5R1.1 C1=CNC=N1 26201 [0,0,0,0,0,0|1,0,0]=1 5 B5R1.1 C1=CNN=C1 21409 [0,0,0,0,0,0|1,0,0]=1 6 B5R1.1 C1=COC=N1 8626 [0,0,0,0,0,0|1,0,1]=2 7 B5R1.1 C1=COCC1 12854 [0,0,0,0,0,0|1,0,2]=3 8 B5R1.1 C1=CON=C1 8623 [0,0,0,0,0,0|1,0,1]=2 9 B5R1.1 C1=CSC=C1 26881 [0,0,0,0,0,0|1,0,0]=1 10 B5R1.1 C1=CSN=C1 24709 [0,0,0,0,0,0|1,0,1]=2 11 B5R1.1 C1=C[CH-]C=C1 16015 [0,0,0,0,0,0|1,0,0]=1 12 B5R1.1 C1=C[CH-]C=C1 29400 [0,0,0,0,0,0|1,0,0]=1 13 B5R1.1 C1=C[CH-]C=C1 35636 [0,0,0,0,0,0|1,0,0]=1 14 B5R1.1 C1=NC=NN1 17626 [0,0,0,0,0,0|2,0,0]=2 15 B5R1.1 C1=NCCO1 24989 [0,0,0,0,0,0|1,0,3]=4 16 B5R1.1 C1=NCCO1 8622 [0,0,0,0,0,0|1,0,3]=4 17 B5R1.1 C1=NN=NN1 12846 [0,0,0,0,0,0|3,0,0]=3 18 B5R1.1 C1CCNC1 19143 [0,0,0,0,0,0|0,0,4]=4 19 B5R1.1 C1CSCN1 35964 [0,0,0,0,0,0|1,0,3]=4 20 B5R1.1 C1CSCN1 36265 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 BrC1=CC=CO1 6929 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.2 BrC1=CC=CS1 5313 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 BrC1=CC=NO1 14443 [0,1,0,0,0,0|1,0,1]=3 24 B6R1.2 BrC1=CC=NS1 12056 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.2 BrC1=CCCC1 29715 [0,1,0,0,0,0|1,0,2]=4 26 B6R1.2 BrC1=CN=CS1 2077 [0,1,0,0,0,0|1,0,1]=3 27 B6R1.2 BrC1=CNC=N1 9443 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 BrC1=CNN=C1 11041 [0,1,0,0,0,0|1,0,0]=2 29 B6R1.2 BrC1=CNN=N1 18352 [0,1,0,0,0,0|2,0,0]=3 30 B6R1.2 BrC1=COC=C1 8830 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 BrC1=CSC=C1 5306 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 BrC1=CSC=N1 4040 [0,1,0,0,0,0|1,0,1]=3 33 B6R1.2 BrC1=CSN=C1 12057 [0,1,0,0,0,0|1,0,1]=3 34 B6R1.2 BrC1=NC=CN1 8987 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.2 BrC1=NC=CS1 15748 [0,1,0,0,0,0|1,0,1]=3 36 B6R1.2 BrC1=NNC=C1 22992 [0,1,0,0,0,0|1,0,0]=2 37 B6R1.2 BrC1=NNC=N1 20960 [0,1,0,0,0,0|2,0,0]=3 38 B6R1.2 BrC1=NSC=C1 12058 [0,1,0,0,0,0|1,0,1]=3 39 B6R1.2 Br[C-]1C=CC=C1 36254 [0,1,0,0,0,0|1,0,0]=2 40 B6R1.2 CC1=CC=CO1 11230 [0,1,0,0,0,0|1,0,0]=2 41 B6R1.2 CC1=CC=CS1 5204 [0,1,0,0,0,0|1,0,0]=2 42 B6R1.2 CC1=CC=NN1 10442 [0,1,0,0,0,0|1,0,0]=2 43 B6R1.2 CC1=CC=NO1 8634 [0,1,0,0,0,0|1,0,1]=3 44 B6R1.2 CC1=CC=NS1 45145 [0,1,0,0,0,0|1,0,1]=3 45 B6R1.2 CC1=CNC=C1 13921 [0,1,0,0,0,0|0,0,0]=1 46 B6R1.2 CC1=CNC=N1 7153 [0,1,0,0,0,0|1,0,0]=2 47 B6R1.2 CC1=CNN=C1 13055 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.2 CC1=COC=C1 19993 [0,1,0,0,0,0|1,0,0]=2 49 B6R1.2 CC1=COC=N1 23604 [0,1,0,0,0,0|1,0,1]=3 50 B6R1.2 CC1=CON=C1 24245 [0,1,0,0,0,0|1,0,1]=3 51 B6R1.2 CC1=CSC=C1 5565 [0,1,0,0,0,0|1,0,0]=2 52 B6R1.2 CC1=CSC=N1 23683 [0,1,0,0,0,0|1,0,1]=3 53 B6R1.2 CC1=NC=CN1 8049 [0,1,0,0,0,0|1,0,0]=2 54 B6R1.2 CC1=NC=CS1 15749 [0,1,0,0,0,0|1,0,1]=3 55 B6R1.2 CC1=NCCN1 10179 [0,1,0,0,0,0|1,0,2]=4 56 B6R1.2 CC1=NN=NN1 9130 [0,1,0,0,0,0|3,0,0]=4 57 B6R1.2 CC1=NNC=C1 13253 [0,1,0,0,0,0|1,0,0]=2 58 B6R1.2 CC1=NNC=N1 23317 [0,1,0,0,0,0|2,0,0]=3 59 B6R1.2 CN1C=CC=C1 10822 [0,1,0,0,0,0|0,0,0]=1 60 B6R1.2 CN1C=CC=N1 20862 [0,1,0,0,0,0|1,0,0]=2 61 B6R1.2 CN1C=CN=C1 15971 [0,1,0,0,0,0|1,0,0]=2 62 B6R1.2 CN1C=CN=N1 23531 [0,1,0,0,0,0|2,0,0]=3 63 B6R1.2 CN1C=NC=N1 22534 [0,1,0,0,0,0|2,0,0]=3 64 B6R1.2 CN1C=NN=C1 24226 [0,1,0,0,0,0|2,0,0]=3 65 B6R1.2 CN1C=NN=N1 27267 [0,1,0,0,0,0|3,0,0]=4 66 B6R1.2 ClC1=CC=CS1 7376 [0,1,0,0,0,0|1,0,0]=2 67 B6R1.2 ClC1=CN=NS1 24997 [0,1,0,0,0,0|2,0,1]=4 68 B6R1.2 ClC1=CNN=C1 14005 [0,1,0,0,0,0|1,0,0]=2 69 B6R1.2 ClC1=CSC=C1 5477 [0,1,0,0,0,0|1,0,0]=2 70 B6R1.2 ClC1=NC=CN1 7597 [0,1,0,0,0,0|1,0,0]=2 71 B6R1.2 ClC1=NC=CS1 15569 [0,1,0,0,0,0|1,0,1]=3 72 B6R1.2 ClC1=NC=NS1 20014 [0,1,0,0,0,0|2,0,1]=4 73 B6R1.2 ClC1=NNC=C1 23622 [0,1,0,0,0,0|1,0,0]=2 74 B6R1.2 FC1=CN=CN1 13602 [0,1,0,0,0,0|1,0,0]=2 75 B6R1.2 FC1=NC=CN1 13605 [0,1,0,0,0,0|1,0,0]=2 76 B6R1.2 IC1=CC=CS1 5547 [0,1,0,0,0,0|1,0,0]=2 77 B6R1.2 IC1=CN=CS1 27981 [0,1,0,0,0,0|1,0,1]=3 78 B6R1.2 IC1=CNC=N1 7930 [0,1,0,0,0,0|1,0,0]=2 79 B6R1.2 IC1=CNN=C1 13295 [0,1,0,0,0,0|1,0,0]=2 80 B6R1.2 IC1=CSC=C1 16213 [0,1,0,0,0,0|1,0,0]=2 81 B6R1.2 IC1=NC=CN1 9423 [0,1,0,0,0,0|1,0,0]=2 82 B6R1.2 NC1=CC=CN1 13838 [0,1,0,0,0,0|0,0,0]=1 83 B6R1.2 NC1=CC=NO1 24641 [0,1,0,0,0,0|1,0,1]=3 84 B6R1.2 NC1=CC=NS1 24255 [0,1,0,0,0,0|1,0,1]=3 85 B6R1.2 NC1=CN=CS1 17251 [0,1,0,0,0,0|1,0,1]=3 86 B6R1.2 NC1=CN=CS1 20291 [0,1,0,0,0,0|1,0,1]=3 87 B6R1.2 NC1=CN=NS1 9996 [0,1,0,0,0,0|2,0,1]=4 88 B6R1.2 NC1=CNC=N1 19885 [0,1,0,0,0,0|1,0,0]=2 89 B6R1.2 NC1=CNN=C1 14988 [0,1,0,0,0,0|1,0,0]=2 90 B6R1.2 NC1=CON=C1 22316 [0,1,0,0,0,0|1,0,1]=3 91 B6R1.2 NC1=CSC=C1 14847 [0,1,0,0,0,0|1,0,0]=2 92 B6R1.2 NC1=CSC=C1 25687 [0,1,0,0,0,0|1,0,0]=2 93 B6R1.2 NC1=NC=CN1 23659 [0,1,0,0,0,0|1,0,0]=2 94 B6R1.2 NC1=NC=CN1 8378 [0,1,0,0,0,0|1,0,0]=2 95 B6R1.2 NC1=NC=CS1 20596 [0,1,0,0,0,0|1,0,1]=3 96 B6R1.2 NC1=NC=NS1 11136 [0,1,0,0,0,0|2,0,1]=4 97 B6R1.2 NC1=NN=CS1 8411 [0,1,0,0,0,0|2,0,1]=4 98 B6R1.2 NC1=NN=NN1 9131 [0,1,0,0,0,0|3,0,0]=4 99 B6R1.2 NC1=NNC=C1 11252 [0,1,0,0,0,0|1,0,0]=2 100 B6R1.2 NC1=NNC=C1 17834 [0,1,0,0,0,0|1,0,0]=2 101 B6R1.2 NC1=NNC=N1 16495 [0,1,0,0,0,0|2,0,0]=3 102 B6R1.2 NC1=NOC=C1 8627 [0,1,0,0,0,0|1,0,1]=3 103 B6R1.2 NN1C=CC=C1 12475 [0,1,0,0,0,0|0,0,0]=1 104 B6R1.2 NN1C=CC=C1 23913 [0,1,0,0,0,0|0,0,0]=1 105 B6R1.2 NN1C=NN=C1 14499 [0,1,0,0,0,0|2,0,0]=3 106 B6R1.2 O=C1C=CCC1 9803 [0,1,0,0,0,0|1,0,1]=3 107 B6R1.2 O=C1C=CCN1 23871 [0,1,0,0,0,0|0,0,1]=2 108 B6R1.2 O=C1C=CNN1 23624 [0,1,0,0,0,0|1,0,0]=2 109 B6R1.2 O=C1C=CON1 27643 [0,1,0,0,0,0|1,0,0]=2 110 B6R1.2 O=C1C=CSN1 20292 [0,1,0,0,0,0|1,0,0]=2 111 B6R1.2 O=C1CC=CC1 12654 [0,1,0,0,0,0|1,0,1]=3 112 B6R1.2 O=C1CC=NN1 23623 [0,1,0,0,0,0|1,0,1]=3 113 B6R1.2 O=C1CCCN1 19110 [0,1,0,0,0,0|0,0,3]=4 114 B6R1.2 O=C1CCNC1 21931 [0,1,0,0,0,0|0,0,3]=4 115 B6R1.2 O=C1CNCN1 23395 [0,1,0,0,0,0|1,0,2]=4 116 B6R1.2 O=C1NC=CN1 18114 [0,1,0,0,0,0|1,0,0]=2 117 B6R1.2 O=C1NCCO1 8624 [0,1,0,0,0,0|1,0,2]=4 118 B6R1.2 O=C1NCCS1 14582 [0,1,0,0,0,0|1,0,2]=4 119 B6R1.2 OC1=CC=NN1 23482 [0,1,0,0,0,0|1,0,0]=2 120 B6R1.2 OC1=NNCC1 44776 [0,1,0,0,0,0|1,0,2]=4 121 B6R1.2 OC1CC=CC1 29044 [0,1,0,0,0,0|1,0,2]=4 122 B6R1.2 ON1C=CC=N1 27109 [0,1,0,0,0,0|1,0,0]=2 123 B6R1.2 S=C1CCCN1 20272 [0,1,0,0,0,0|0,0,3]=4 124 B6R1.2 S=C1NCCS1 14579 [0,1,0,0,0,0|1,0,2]=4 125 B6R1.2 SC1=CC=CS1 7755 [0,1,0,0,0,0|1,0,0]=2 126 B6R1.2 SC1=NC=CO1 24604 [0,1,0,0,0,0|1,0,1]=3 127 B6R1.2 SC1=NN=CS1 10119 [0,1,0,0,0,0|2,0,1]=4 128 B4R0.2 C=CCCN 10268 [0,0,1,0,0,0|0,0,2]=3 129 B4R0.2 C=CCCN 36002 [0,0,1,0,0,0|0,0,2]=3 130 B4R0.2 C=CCCO 18909 [0,0,1,0,0,0|1,0,2]=4 131 B4R0.2 C=CC[Pd]Cl 16020 [0,0,1,0,0,0|2,0,1]=4 132 B4R0.2 C=COCC 18645 [0,0,1,0,0,0|1,0,2]=4 133 B4R0.2 C\C=C\CC 19602 [0,0,1,0,0,0|1,0,2]=4 134 B4R0.2 C\C=C\CO 21075 [0,0,1,0,0,0|1,0,2]=4 135 B4R1.1 C1CNC1 22634 [0,0,0,0,1,0|0,0,3]=4 136 B6R1.1 C1=CC=NC=C1 13729 [0,0,0,0,0,1|0,0,1]=2 137 B6R1.1 C1=CC=NC=C1 18634 [0,0,0,0,0,1|0,0,1]=2 138 B6R1.1 C1=CC=NC=C1 2590 [0,0,0,0,0,1|0,0,1]=2 139 B6R1.1 C1=CC=NC=C1 30334 [0,0,0,0,0,1|0,0,1]=2 140 B6R1.1 C1=CC=NC=C1 35414 [0,0,0,0,0,1|0,0,1]=2 141 B6R1.1 C1=CC=[NH+]C=C1 15908 [0,0,0,0,0,1|0,0,1]=2 142 B6R1.1 C1=CC=[NH+]C=C1 15909 [0,0,0,0,0,1|0,0,1]=2 143 B6R1.1 C1=CN=CC=N1 16607 [0,0,0,0,0,1|0,0,1]=2 144 B6R1.1 C1=CN=CN=C1 13257 [0,0,0,0,0,1|0,0,1]=2 145 B6R1.1 C1=CN=NC=C1 17789 [0,0,0,0,0,1|0,0,1]=2 146 B6R1.1 C1=COCCC1 9508 [0,0,0,0,0,1|1,0,2]=4 147 B6R1.1 c1ccccc1 36262 [0,0,0,0,0,1|1,0,0]=2 148 B3R0.1 C=CC=O 23303 [1,0,1,0,0,0|1,0,0]=3 149 B3R0.1 C=CCCl 35025 [1,0,1,0,0,0|1,0,1]=4 150 B3R0.1 C=CCI 12655 [1,0,1,0,0,0|1,0,1]=4 151 B3R0.1 C=CCN 19133 [1,0,1,0,0,0|0,0,1]=3 152 B3R0.1 CNC=O 35283 [1,0,1,0,0,0|1,0,1]=4 153 B3R0.1 NNC=O 32333 [1,0,1,0,0,0|2,0,0]=4 154 B5R0.1 CC(C)=CC=O 3075 [0,1,1,0,0,0|1,0,1]=4 155 B5R0.1 O=C(O)\C=C\Cl 35750 [0,1,1,0,0,0|2,0,0]=4 156 B5R0.1 O=C(O)\C=C\I 11671 [0,1,1,0,0,0|2,0,0]=4 157 B5R0.2 NC\C=C\CCl 25442 [0,1,1,0,0,0|0,0,2]=4 158 B5R0.3 C=CC(=O)CBr 13741 [0,1,1,0,0,0|1,0,1]=4 159 B5R0.3 C=CC(=O)CO 32353 [0,1,1,0,0,0|1,0,1]=4 160 B7R1.3 BrC1=CC=CN=C1 2571 [0,1,0,0,0,1|0,0,1]=3 161 B7R1.3 BrC1=CC=NC=C1 15950 [0,1,0,0,0,1|0,0,1]=3 162 B7R1.3 BrC1=CC=NC=C1 2589 [0,1,0,0,0,1|0,0,1]=3 163 B7R1.3 BrC1=CN=CN=C1 6902 [0,1,0,0,0,1|0,0,1]=3 164 B7R1.3 BrC1=NC=CC=C1 2570 [0,1,0,0,0,1|0,0,1]=3 165 B7R1.3 BrC1=NC=CC=N1 6901 [0,1,0,0,0,1|0,0,1]=3 166 B7R1.3 BrC1=NC=CN=C1 18036 [0,1,0,0,0,1|0,0,1]=3 167 B7R1.3 CC1=CC=CN=N1 17696 [0,1,0,0,0,1|0,0,1]=3 168 B7R1.3 CC1=CN=CN=C1 7207 [0,1,0,0,0,1|0,0,1]=3 169 B7R1.3 CC1=NC=CC=C1 15899 [0,1,0,0,0,1|0,0,1]=3 170 B7R1.3 CC1=NC=CC=N1 21974 [0,1,0,0,0,1|0,0,1]=3 171 B7R1.3 CC1=NC=CN=C1 8601 [0,1,0,0,0,1|0,0,1]=3 172 B7R1.3 CC1=NC=NC=C1 20803 [0,1,0,0,0,1|0,0,1]=3 173 B7R1.3 Cc1ccccn1 18185 [0,1,0,0,0,1|0,0,1]=3 174 B7R1.3 ClC1=CC=CN=C1 2576 [0,1,0,0,0,1|0,0,1]=3 175 B7R1.3 ClC1=CC=CN=N1 19779 [0,1,0,0,0,1|0,0,1]=3 176 B7R1.3 ClC1=CC=NC=C1 1195 [0,1,0,0,0,1|0,0,1]=3 177 B7R1.3 ClC1=CC=NC=C1 23503 [0,1,0,0,0,1|0,0,1]=3 178 B7R1.3 ClC1=CN=CN=C1 7041 [0,1,0,0,0,1|0,0,1]=3 179 B7R1.3 ClC1=NC=CC=C1 13200 [0,1,0,0,0,1|0,0,1]=3 180 B7R1.3 ClC1=NC=CC=N1 7040 [0,1,0,0,0,1|0,0,1]=3 181 B7R1.3 ClC1=NC=CN=C1 8546 [0,1,0,0,0,1|0,0,1]=3 182 B7R1.3 ClC1=NC=NC=C1 15531 [0,1,0,0,0,1|0,0,1]=3 183 B7R1.3 FC1=CC=CC=C1 29401 [0,1,0,0,0,1|1,0,0]=3 184 B7R1.3 FC1=CC=CN=C1 1095 [0,1,0,0,0,1|0,0,1]=3 185 B7R1.3 FC1=CC=NC=C1 14322 [0,1,0,0,0,1|0,0,1]=3 186 B7R1.3 FC1=CC=NC=C1 2616 [0,1,0,0,0,1|0,0,1]=3 187 B7R1.3 FC1=CN=CN=C1 7193 [0,1,0,0,0,1|0,0,1]=3 188 B7R1.3 FC1=NC=CC=C1 1094 [0,1,0,0,0,1|0,0,1]=3 189 B7R1.3 FC1=NC=CN=C1 13961 [0,1,0,0,0,1|0,0,1]=3 190 B7R1.3 FC1=NC=NC=C1 13598 [0,1,0,0,0,1|0,0,1]=3 191 B7R1.3 IC1=CC=CC=C1 2143 [0,1,0,0,0,1|1,0,0]=3 192 B7R1.3 IC1=CC=CC=C1 3921 [0,1,0,0,0,1|1,0,0]=3 193 B7R1.3 IC1=CC=CN=C1 6634 [0,1,0,0,0,1|0,0,1]=3 194 B7R1.3 IC1=CC=NC=C1 2584 [0,1,0,0,0,1|0,0,1]=3 195 B7R1.3 IC1=CN=CN=C1 25074 [0,1,0,0,0,1|0,0,1]=3 196 B7R1.3 IC1=NC=CC=C1 4074 [0,1,0,0,0,1|0,0,1]=3 197 B7R1.3 IC1=NC=CC=N1 23553 [0,1,0,0,0,1|0,0,1]=3 198 B7R1.3 IC1=NC=NC=C1 33551 [0,1,0,0,0,1|0,0,1]=3 199 B7R1.3 NC1=CC=CN=C1 2569 [0,1,0,0,0,1|0,0,1]=3 200 B7R1.3 NC1=CC=CN=N1 16747 [0,1,0,0,0,1|0,0,1]=3 201 B7R1.3 NC1=CC=CN=N1 9538 [0,1,0,0,0,1|0,0,1]=3 202 B7R1.3 NC1=CC=NC=C1 1281 [0,1,0,0,0,1|0,0,1]=3 203 B7R1.3 NC1=CN=CN=C1 25064 [0,1,0,0,0,1|0,0,1]=3 204 B7R1.3 NC1=NC=CC=C1 10484 [0,1,0,0,0,1|0,0,1]=3 205 B7R1.3 NC1=NC=CC=N1 4106 [0,1,0,0,0,1|0,0,1]=3 206 B7R1.3 NC1=NC=CN=C1 8600 [0,1,0,0,0,1|0,0,1]=3 207 B7R1.3 NC1=NC=NC=C1 21825 [0,1,0,0,0,1|0,0,1]=3 208 B7R1.3 NC1=NC=NC=N1 14498 [0,1,0,0,0,1|1,0,1]=4 209 B7R1.3 O=C1C=CC=NN1 9528 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 OC1=CC=CN=C1 2568 [0,1,0,0,0,1|0,0,1]=3 211 B7R1.3 OC1=CC=NC=C1 1116 [0,1,0,0,0,1|0,0,1]=3 212 B7R1.3 OC1=CN=CN=C1 20799 [0,1,0,0,0,1|0,0,1]=3 213 B7R1.3 OC1=C[NH+]=CN=C1 23934 [0,1,0,0,0,1|0,0,1]=3 214 B7R1.3 OC1=NC=CC=C1 2567 [0,1,0,0,0,1|0,0,1]=3 215 B7R1.3 OC1=NC=CC=N1 20310 [0,1,0,0,0,1|0,0,1]=3 216 B7R1.3 OC1=NC=CC=N1 21046 [0,1,0,0,0,1|0,0,1]=3 217 B7R1.3 OC1=NC=CN=C1 8869 [0,1,0,0,0,1|0,0,1]=3 218 B7R1.3 OC1=NC=NC=C1 11012 [0,1,0,0,0,1|0,0,1]=3 219 B7R1.3 OC1=NC=NC=C1 20805 [0,1,0,0,0,1|0,0,1]=3 220 B7R1.3 PC1=CC=CC=C1 25514 [0,1,0,0,0,1|1,0,0]=3 221 B7R1.3 SC1=CC=CC=C1 5421 [0,1,0,0,0,1|1,0,0]=3 222 B7R1.3 SC1=CC=NC=C1 9746 [0,1,0,0,0,1|0,0,1]=3 223 B7R1.3 SC1=NC=CC=C1 10835 [0,1,0,0,0,1|0,0,1]=3 224 B7R1.3 SC1=NC=CC=C1 16329 [0,1,0,0,0,1|0,0,1]=3 225 B7R1.3 SC1=NC=CC=N1 21982 [0,1,0,0,0,1|0,0,1]=3 226 B7R1.3 [Li]C1=CC=CC=C1 26659 [0,1,0,0,0,1|1,0,0]=3 227 B7R1.3 [O-][N+]1=CC=CC=C1 2586 [0,1,0,0,0,1|0,0,1]=3 228 B7R1.3 [O-][N+]1=CN=CC=C1 13269 [0,1,0,0,0,1|0,0,1]=3 229 B7R1.3 [S-]C1=CC=CC=C1 35336 [0,1,0,0,0,1|1,0,0]=3 230 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [0,1,0,0,0,1|1,0,0]=3 231 B7R1.1 BrCC1=CC=NS1 22267 [0,2,0,0,0,0|1,0,1]=4 232 B7R1.1 BrCC1=CN=CO1 16901 [0,2,0,0,0,0|1,0,1]=4 233 B7R1.1 BrCC1=CSC=C1 5295 [0,2,0,0,0,0|1,0,0]=3 234 B7R1.1 BrCC1=NNC=C1 14336 [0,2,0,0,0,0|1,0,0]=3 235 B7R1.1 C#CC1=CC=CS1 16123 [0,2,0,0,0,0|1,0,0]=3 236 B7R1.1 C#CC1=CSC=C1 16122 [0,2,0,0,0,0|1,0,0]=3 237 B7R1.1 C=CN1C=CN=C1 9440 [0,2,0,0,0,0|1,0,0]=3 238 B7R1.1 CCC1=CC=CS1 5536 [0,2,0,0,0,0|1,0,0]=3 239 B7R1.1 CCC1=NC=CN1 15972 [0,2,0,0,0,0|1,0,0]=3 240 B7R1.1 CCN1C=CC=C1 35829 [0,2,0,0,0,0|0,0,0]=2 241 B7R1.1 CCN1C=CN=C1 7605 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.1 CNC1=CC=NN1 7850 [0,2,0,0,0,0|1,0,0]=3 243 B7R1.1 CNC1=NC=CS1 23919 [0,2,0,0,0,0|1,0,1]=4 244 B7R1.1 COC1=CC=CO1 19998 [0,2,0,0,0,0|1,0,0]=3 245 B7R1.1 COC1=CC=CS1 12545 [0,2,0,0,0,0|1,0,0]=3 246 B7R1.1 COC1=CSC=C1 8863 [0,2,0,0,0,0|1,0,0]=3 247 B7R1.1 CSC1=CNC=N1 14136 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.1 CSC1=NC=CO1 24606 [0,2,0,0,0,0|1,0,1]=4 249 B7R1.1 ClCC1=NC=CO1 17601 [0,2,0,0,0,0|1,0,1]=4 250 B7R1.1 ClCC1=NNC=C1 27656 [0,2,0,0,0,0|1,0,0]=3 251 B7R1.1 N#CC1=CC=CO1 6961 [0,2,0,0,0,0|1,0,0]=3 252 B7R1.1 N#CC1=CC=CS1 5215 [0,2,0,0,0,0|1,0,0]=3 253 B7R1.1 N#CC1=CNC=C1 9143 [0,2,0,0,0,0|0,0,0]=2 254 B7R1.1 N#CC1=CNC=N1 18770 [0,2,0,0,0,0|1,0,0]=3 255 B7R1.1 N#CC1=CNN=C1 35534 [0,2,0,0,0,0|1,0,0]=3 256 B7R1.1 N#CC1=CSC=C1 12351 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.1 N#CC1=CSC=C1 5508 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.1 N#CC1=CSC=N1 35762 [0,2,0,0,0,0|1,0,1]=4 259 B7R1.1 N#CC1=NNC=C1 14331 [0,2,0,0,0,0|1,0,0]=3 260 B7R1.1 N#CC1=NNC=N1 13583 [0,2,0,0,0,0|2,0,0]=4 261 B7R1.1 N#CC1=NSC=C1 20163 [0,2,0,0,0,0|1,0,1]=4 262 B7R1.1 NCC1=CC=CO1 6967 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.1 NCC1=CC=CS1 22278 [0,2,0,0,0,0|1,0,0]=3 264 B7R1.1 NCC1=CC=CS1 5606 [0,2,0,0,0,0|1,0,0]=3 265 B7R1.1 NCC1=CC=NN1 14846 [0,2,0,0,0,0|1,0,0]=3 266 B7R1.1 NCC1=COC=N1 24611 [0,2,0,0,0,0|1,0,1]=4 267 B7R1.1 NCC1=CSC=C1 12348 [0,2,0,0,0,0|1,0,0]=3 268 B7R1.1 NCC1=NC=CN1 15933 [0,2,0,0,0,0|1,0,0]=3 269 B7R1.1 NCC1=NC=CN1 16027 [0,2,0,0,0,0|1,0,0]=3 270 B7R1.1 NCC1=NC=CN1 16028 [0,2,0,0,0,0|1,0,0]=3 271 B7R1.1 NCC1=NC=CO1 15935 [0,2,0,0,0,0|1,0,1]=4 272 B7R1.1 NCC1=NOC=C1 15836 [0,2,0,0,0,0|1,0,1]=4 273 B7R1.1 NCc1nccs1 15843 [0,2,0,0,0,0|1,0,1]=4 274 B7R1.1 NNC1=NC=CN1 35367 [0,2,0,0,0,0|1,0,0]=3 275 B7R1.1 O=CC1=CC=CN1 28928 [0,2,0,0,0,0|0,0,0]=2 276 B7R1.1 O=CC1=CC=CN1 9140 [0,2,0,0,0,0|0,0,0]=2 277 B7R1.1 O=CC1=CC=CO1 24739 [0,2,0,0,0,0|1,0,0]=3 278 B7R1.1 O=CC1=CC=CS1 5153 [0,2,0,0,0,0|1,0,0]=3 279 B7R1.1 O=CC1=CN=CS1 14219 [0,2,0,0,0,0|1,0,1]=4 280 B7R1.1 O=CC1=CNC=C1 18051 [0,2,0,0,0,0|0,0,0]=2 281 B7R1.1 O=CC1=CNC=N1 8980 [0,2,0,0,0,0|1,0,0]=3 282 B7R1.1 O=CC1=CNN=C1 23658 [0,2,0,0,0,0|1,0,0]=3 283 B7R1.1 O=CC1=CNN=C1 36037 [0,2,0,0,0,0|1,0,0]=3 284 B7R1.1 O=CC1=CNN=C1 36038 [0,2,0,0,0,0|1,0,0]=3 285 B7R1.1 O=CC1=COC=C1 6948 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.1 O=CC1=CSC=C1 5176 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.1 O=CC1=CSC=N1 13812 [0,2,0,0,0,0|1,0,1]=4 288 B7R1.1 O=CC1=NC=CN1 8045 [0,2,0,0,0,0|1,0,0]=3 289 B7R1.1 O=CC1=NC=CO1 17600 [0,2,0,0,0,0|1,0,1]=4 290 B7R1.1 O=CC1=NC=CS1 9929 [0,2,0,0,0,0|1,0,1]=4 291 B7R1.1 O=CC1=NNC=C1 14337 [0,2,0,0,0,0|1,0,0]=3 292 B7R1.1 O=CC1=NOC=C1 14352 [0,2,0,0,0,0|1,0,1]=4 293 B7R1.1 O=C[C-]1C=CC=C1 18830 [0,2,0,0,0,0|1,0,0]=3 294 B7R1.1 OCC1=CC=CO1 19996 [0,2,0,0,0,0|1,0,0]=3 295 B7R1.1 OCC1=CC=CS1 5603 [0,2,0,0,0,0|1,0,0]=3 296 B7R1.1 OCC1=CC=NO1 24993 [0,2,0,0,0,0|1,0,1]=4 297 B7R1.1 OCC1=CN=CS1 10259 [0,2,0,0,0,0|1,0,1]=4 298 B7R1.1 OCC1=CN=CS1 20003 [0,2,0,0,0,0|1,0,1]=4 299 B7R1.1 OCC1=CNC=N1 9502 [0,2,0,0,0,0|1,0,0]=3 300 B7R1.1 OCC1=CNN=C1 23620 [0,2,0,0,0,0|1,0,0]=3 301 B7R1.1 OCC1=COC=C1 6951 [0,2,0,0,0,0|1,0,0]=3 302 B7R1.1 OCC1=CSC=C1 8860 [0,2,0,0,0,0|1,0,0]=3 303 B7R1.1 OCC1=NC=CS1 10257 [0,2,0,0,0,0|1,0,1]=4 304 B7R1.1 OCC1=NNC=C1 14333 [0,2,0,0,0,0|1,0,0]=3 305 B7R1.1 OCC1=NOC=C1 24952 [0,2,0,0,0,0|1,0,1]=4 306 B7R1.1 OCN1C=CC=N1 7853 [0,2,0,0,0,0|1,0,0]=3 307 B7R1.1 OCN1C=CN=C1 8052 [0,2,0,0,0,0|1,0,0]=3 308 B7R1.1 SCC1=CC=CO1 10566 [0,2,0,0,0,0|1,0,0]=3 309 B7R1.2 BrC1=CC=C(Br)O1 20252 [0,2,0,0,0,0|1,0,0]=3 310 B7R1.2 BrC1=CC=C(Br)S1 5512 [0,2,0,0,0,0|1,0,0]=3 311 B7R1.2 BrC1=CNC(Br)=N1 8954 [0,2,0,0,0,0|1,0,0]=3 312 B7R1.2 BrC1=COC(Br)=C1 15732 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.2 BrC1=CSC(Br)=C1 1908 [0,2,0,0,0,0|1,0,0]=3 314 B7R1.2 BrC1=NNC(Br)=N1 13285 [0,2,0,0,0,0|2,0,0]=4 315 B7R1.2 Brc1cnc(Br)s1 20949 [0,2,0,0,0,0|1,0,1]=4 316 B7R1.2 CC1=CC(=O)CC1 25608 [0,2,0,0,0,0|1,0,1]=4 317 B7R1.2 CC1=CC(Br)=CS1 5261 [0,2,0,0,0,0|1,0,0]=3 318 B7R1.2 CC1=CC(Br)=NN1 23660 [0,2,0,0,0,0|1,0,0]=3 319 B7R1.2 CC1=CC(Br)=NO1 22265 [0,2,0,0,0,0|1,0,1]=4 320 B7R1.2 CC1=CC(C)=NN1 13256 [0,2,0,0,0,0|1,0,0]=3 321 B7R1.2 CC1=CC(C)=NO1 8641 [0,2,0,0,0,0|1,0,1]=4 322 B7R1.2 CC1=CC(N)=NN1 9406 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.2 CC1=CC(N)=NO1 8646 [0,2,0,0,0,0|1,0,1]=4 324 B7R1.2 CC1=CC(O)=NO1 8647 [0,2,0,0,0,0|1,0,1]=4 325 B7R1.2 CC1=CC=C(Br)O1 36047 [0,2,0,0,0,0|1,0,0]=3 326 B7R1.2 CC1=CC=C(Br)S1 5193 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.2 CC1=CC=C(C)S1 5194 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.2 CC1=CC=C(Cl)S1 5197 [0,2,0,0,0,0|1,0,0]=3 329 B7R1.2 CC1=CC=C(I)S1 7417 [0,2,0,0,0,0|1,0,0]=3 330 B7R1.2 CC1=CC=C(O)O1 22254 [0,2,0,0,0,0|1,0,0]=3 331 B7R1.2 CC1=CCC(=O)O1 16859 [0,2,0,0,0,0|1,0,1]=4 332 B7R1.2 CC1=CN(C)C=N1 16470 [0,2,0,0,0,0|1,0,0]=3 333 B7R1.2 CC1=CN(C)N=C1 20859 [0,2,0,0,0,0|1,0,0]=3 334 B7R1.2 CC1=CN=C(Br)S1 20436 [0,2,0,0,0,0|1,0,1]=4 335 B7R1.2 CC1=CN=C(Cl)S1 26055 [0,2,0,0,0,0|1,0,1]=4 336 B7R1.2 CC1=CN=C(N)S1 9924 [0,2,0,0,0,0|1,0,1]=4 337 B7R1.2 CC1=CNC(C)=C1 24003 [0,2,0,0,0,0|0,0,0]=2 338 B7R1.2 CC1=CNC(C)=N1 18587 [0,2,0,0,0,0|1,0,0]=3 339 B7R1.2 CC1=COC(C)=N1 8635 [0,2,0,0,0,0|1,0,1]=4 340 B7R1.2 CC1=COC(O)=C1 22255 [0,2,0,0,0,0|1,0,0]=3 341 B7R1.2 CC1=CSC(C)=N1 9937 [0,2,0,0,0,0|1,0,1]=4 342 B7R1.2 CC1=CSC(N)=N1 9925 [0,2,0,0,0,0|1,0,1]=4 343 B7R1.2 CC1=NC(Br)=CN1 7595 [0,2,0,0,0,0|1,0,0]=3 344 B7R1.2 CC1=NC(I)=CN1 25227 [0,2,0,0,0,0|1,0,0]=3 345 B7R1.2 CC1=NC(I)=CS1 32433 [0,2,0,0,0,0|1,0,1]=4 346 B7R1.2 CC1=NC=C(Br)S1 24165 [0,2,0,0,0,0|1,0,1]=4 347 B7R1.2 CC1=NC=C(I)S1 27982 [0,2,0,0,0,0|1,0,1]=4 348 B7R1.2 CC1=NN(C)C=C1 9119 [0,2,0,0,0,0|1,0,0]=3 349 B7R1.2 CC1=NN=C(N)N1 33558 [0,2,0,0,0,0|2,0,0]=4 350 B7R1.2 CC1=NOC(=O)N1 22560 [0,2,0,0,0,0|2,0,0]=4 351 B7R1.2 CC1=NOC(Br)=C1 22269 [0,2,0,0,0,0|1,0,1]=4 352 B7R1.2 CC1=NSC(Br)=C1 22268 [0,2,0,0,0,0|1,0,1]=4 353 B7R1.2 CC1=NSC(N)=C1 9737 [0,2,0,0,0,0|1,0,1]=4 354 B7R1.2 CN1C=C(Br)C=N1 16867 [0,2,0,0,0,0|1,0,0]=3 355 B7R1.2 CN1C=C(Br)N=N1 18355 [0,2,0,0,0,0|2,0,0]=4 356 B7R1.2 CN1C=C(I)C=N1 24346 [0,2,0,0,0,0|1,0,0]=3 357 B7R1.2 CN1C=C(N)C=N1 32367 [0,2,0,0,0,0|1,0,0]=3 358 B7R1.2 CN1C=C(N)C=N1 35967 [0,2,0,0,0,0|1,0,0]=3 359 B7R1.2 CN1C=CC(Br)=N1 36082 [0,2,0,0,0,0|1,0,0]=3 360 B7R1.2 CN1C=CC(I)=N1 27823 [0,2,0,0,0,0|1,0,0]=3 361 B7R1.2 CN1C=CC(N)=N1 9118 [0,2,0,0,0,0|1,0,0]=3 362 B7R1.2 CN1C=NC(Br)=C1 29311 [0,2,0,0,0,0|1,0,0]=3 363 B7R1.2 CN1C=NC(Br)=C1 29312 [0,2,0,0,0,0|1,0,0]=3 364 B7R1.2 CN1C=NC(I)=C1 8046 [0,2,0,0,0,0|1,0,0]=3 365 B7R1.2 CN1C=NC(N)=N1 34530 [0,2,0,0,0,0|2,0,0]=4 366 B7R1.2 CN1N=CC(Br)=N1 27855 [0,2,0,0,0,0|2,0,0]=4 367 B7R1.2 ClC1=CC=C(Br)S1 5279 [0,2,0,0,0,0|1,0,0]=3 368 B7R1.2 ClC1=CC=C(Cl)S1 5521 [0,2,0,0,0,0|1,0,0]=3 369 B7R1.2 ClC1=CC=C(I)S1 34437 [0,2,0,0,0,0|1,0,0]=3 370 B7R1.2 ClC1=CN=C(Br)S1 27360 [0,2,0,0,0,0|1,0,1]=4 371 B7R1.2 ClC1=NC=C(Br)S1 27359 [0,2,0,0,0,0|1,0,1]=4 372 B7R1.2 FC1=CSC(Br)=N1 32330 [0,2,0,0,0,0|1,0,1]=4 373 B7R1.2 IC1=CC=C(I)S1 5529 [0,2,0,0,0,0|1,0,0]=3 374 B7R1.2 NC1=NC=C(Br)S1 14119 [0,2,0,0,0,0|1,0,1]=4 375 B7R1.2 NC1=NC=C(Br)S1 14121 [0,2,0,0,0,0|1,0,1]=4 376 B7R1.2 NC1=NC=C(Br)S1 15347 [0,2,0,0,0,0|1,0,1]=4 377 B7R1.2 NC1=NC=C(Cl)S1 23694 [0,2,0,0,0,0|1,0,1]=4 378 B7R1.2 NC1=NC=C(Cl)S1 27825 [0,2,0,0,0,0|1,0,1]=4 379 B7R1.2 NC1=NC=C(F)S1 27358 [0,2,0,0,0,0|1,0,1]=4 380 B7R1.2 NC1=NNC(=O)N1 17706 [0,2,0,0,0,0|2,0,0]=4 381 B7R1.2 NC1=NNC(N)=N1 25649 [0,2,0,0,0,0|2,0,0]=4 382 B7R1.2 NC1=NNC(O)=C1 11239 [0,2,0,0,0,0|1,0,0]=3 383 B7R1.2 NC1=NNC(O)=C1 16906 [0,2,0,0,0,0|1,0,0]=3 384 B7R1.2 O=C1C=C(O)CO1 21770 [0,2,0,0,0,0|1,0,1]=4 385 B7R1.2 O=C1C=CC(=O)O1 16845 [0,2,0,0,0,0|1,0,0]=3 386 B7R1.2 O=C1C=CC(O)C1 27265 [0,2,0,0,0,0|1,0,1]=4 387 B7R1.2 O=C1C=CC(O)O1 25366 [0,2,0,0,0,0|1,0,1]=4 388 B7R1.2 O=C1CCC(=O)N1 13765 [0,2,0,0,0,0|0,0,2]=4 389 B7R1.2 O=C1CSC(=O)N1 17487 [0,2,0,0,0,0|1,0,1]=4 390 B7R1.2 O=C1CSC(=S)N1 15741 [0,2,0,0,0,0|1,0,1]=4 391 B7R1.2 OC1=CC=C(O)O1 22253 [0,2,0,0,0,0|1,0,0]=3 392 B7R1.4 BrC1=C(Br)NN=N1 21877 [0,2,0,0,0,0|2,0,0]=4 393 B7R1.4 BrC1=C(Br)SC=C1 5511 [0,2,0,0,0,0|1,0,0]=3 394 B7R1.4 BrC1=C(Br)SC=N1 33362 [0,2,0,0,0,0|1,0,1]=4 395 B7R1.4 BrC1=COC=C1Br 22666 [0,2,0,0,0,0|1,0,0]=3 396 B7R1.4 BrC1=CSC=C1Br 5510 [0,2,0,0,0,0|1,0,0]=3 397 B7R1.4 BrC1=CSC=C1I 34836 [0,2,0,0,0,0|1,0,0]=3 398 B7R1.4 CC1=C(Br)N=CN1 9011 [0,2,0,0,0,0|1,0,0]=3 399 B7R1.4 CC1=C(Br)SC=C1 5191 [0,2,0,0,0,0|1,0,0]=3 400 B7R1.4 CC1=C(C)NC=N1 18123 [0,2,0,0,0,0|1,0,0]=3 401 B7R1.4 CC1=C(C)NC=N1 8044 [0,2,0,0,0,0|1,0,0]=3 402 B7R1.4 CC1=C(C)SC=C1 7751 [0,2,0,0,0,0|1,0,0]=3 403 B7R1.4 CC1=C(C)SC=N1 9938 [0,2,0,0,0,0|1,0,1]=4 404 B7R1.4 CC1=C(Cl)SC=C1 5164 [0,2,0,0,0,0|1,0,0]=3 405 B7R1.4 CC1=C(I)N=CN1 35177 [0,2,0,0,0,0|1,0,0]=3 406 B7R1.4 CC1=C(N)ON=C1 19884 [0,2,0,0,0,0|1,0,1]=4 407 B7R1.4 CC1=C(S)C=CO1 7060 [0,2,0,0,0,0|1,0,0]=3 408 B7R1.4 CC1=C(S)C=CO1 9968 [0,2,0,0,0,0|1,0,0]=3 409 B7R1.4 CC1=CC=NN1C 9121 [0,2,0,0,0,0|1,0,0]=3 410 B7R1.4 CC1=CNN=C1C 36259 [0,2,0,0,0,0|1,0,0]=3 411 B7R1.4 CC1=COC=C1C 15014 [0,2,0,0,0,0|1,0,0]=3 412 B7R1.4 CC1=CSC=C1Br 21832 [0,2,0,0,0,0|1,0,0]=3 413 B7R1.4 CC1=NC=CN1C 15975 [0,2,0,0,0,0|1,0,0]=3 414 B7R1.4 CC1=NNC=C1Br 22533 [0,2,0,0,0,0|1,0,0]=3 415 B7R1.4 CC1=NNC=C1I 12661 [0,2,0,0,0,0|1,0,0]=3 416 B7R1.4 CN1C=CN=C1Br 7594 [0,2,0,0,0,0|1,0,0]=3 417 B7R1.4 CN1C=CN=C1Cl 7596 [0,2,0,0,0,0|1,0,0]=3 418 B7R1.4 CN1C=CN=C1I 16310 [0,2,0,0,0,0|1,0,0]=3 419 B7R1.4 CN1C=CN=C1N 23735 [0,2,0,0,0,0|1,0,0]=3 420 B7R1.4 CN1C=NC=C1Br 8951 [0,2,0,0,0,0|1,0,0]=3 421 B7R1.4 CN1C=NC=C1Cl 7612 [0,2,0,0,0,0|1,0,0]=3 422 B7R1.4 CN1C=NC=C1I 8949 [0,2,0,0,0,0|1,0,0]=3 423 B7R1.4 CN1C=NN=C1N 19900 [0,2,0,0,0,0|2,0,0]=4 424 B7R1.4 CN1N=CC=C1Br 23726 [0,2,0,0,0,0|1,0,0]=3 425 B7R1.4 CN1N=CC=C1N 9123 [0,2,0,0,0,0|1,0,0]=3 426 B7R1.4 CN1N=CN=C1N 34234 [0,2,0,0,0,0|2,0,0]=4 427 B7R1.4 CN1N=NC=C1Br 27299 [0,2,0,0,0,0|2,0,0]=4 428 B7R1.4 CN1N=NC=C1I 27676 [0,2,0,0,0,0|2,0,0]=4 429 B7R1.4 ClC1=C(Br)C=CS1 5259 [0,2,0,0,0,0|1,0,0]=3 430 B7R1.4 ClC1=C(Br)SC=C1 33539 [0,2,0,0,0,0|1,0,0]=3 431 B7R1.4 ClC1=C(Cl)NC=N1 12880 [0,2,0,0,0,0|1,0,0]=3 432 B7R1.4 ClC1=C(Cl)SC=C1 15351 [0,2,0,0,0,0|1,0,0]=3 433 B7R1.4 FC1=CSC=C1F 35628 [0,2,0,0,0,0|1,0,0]=3 434 B7R1.4 IC1=C(I)NC=N1 34911 [0,2,0,0,0,0|1,0,0]=3 435 B7R1.4 NC1=CSC=C1N 18368 [0,2,0,0,0,0|1,0,0]=3 436 B7R1.4 NC1=CSC=C1N 21822 [0,2,0,0,0,0|1,0,0]=3 437 B7R1.4 NC1=NC=CN1N 22689 [0,2,0,0,0,0|1,0,0]=3 438 B7R1.4 NC1=NNC=C1Br 23941 [0,2,0,0,0,0|1,0,0]=3 439 B7R1.4 OC1=C(O)OC=C1 22257 [0,2,0,0,0,0|1,0,0]=3