0 B7R1.4 BrC1=C(Br)SC=C1 CS22551 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.4 BrC1=C(Br)SC=N1 MC442188 [0,0,0,0,0,0|3,1,0]=4 2 B7R1.4 BrC1=C(I)C=CS1 MC113889 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.4 BrC1=C(I)SC=C1 MC431562 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.4 BrC1=CSC=C1Br CS22554 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 BrC1=CSC=C1I MC443772 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CC1=C(Br)C=NN1 CS16927 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 CC1=C(Br)NN=N1 MC114929 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.4 CC1=C(C)NC=N1 MC20435 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.4 CC1=C(C)SC=N1 CS22784 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.4 CC1=CC=NN1C CS19266 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.4 CC1=CNN=C1C CS13346 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 CC1=CSC=C1Br MC441134 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 CC1=CSC=C1N MC427269 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 CC1=NNC=C1Br CS15947 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=NNC=C1I CS22358 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CC1=NOC=C1N CS17073 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CC1=NSC=C1Br MC100263 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,0,0,0|0,1,3]=4 20 B7R1.4 CN1C=CN=C1Br MC428146 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 CN1C=CN=C1I CS21609 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 CN1C=NC=C1Br CS17783 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 CN1C=NC=C1F MC429980 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 CN1C=NC=C1I CS16077 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 CN1C=NC=C1N CS17122 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.4 CN1C=NC=C1N MC106511 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.4 CN1N=CC=C1Br CS12124 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 CN1N=CC=C1N CS22609 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.4 CN1N=CC=C1O CS10399 [0,0,0,0,0,0|2,1,0]=3 30 B7R1.4 CN1N=CCC1=O CS15601 [0,0,0,0,0,0|2,1,1]=4 31 B7R1.4 CN1N=CN=C1N MC443221 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 CN1N=NC=C1I MC442290 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.4 ClC1=C(Br)C=CS1 CS22555 [0,0,0,0,0,0|2,1,0]=3 34 B7R1.4 ClC1=C(Br)SC=C1 MC442573 [0,0,0,0,0,0|2,1,0]=3 35 B7R1.4 IC1=C(I)NC=N1 MC443844 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.4 NC1=C(Br)C=NN1 CS14320 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.4 NC1=CNN=C1Cl MC33007 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.4 NC1=CNN=C1Cl MC41659 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.4 NC1=NOC=C1Br CS17964 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.4 O=C1CCC=C1O CS14654 [0,0,0,0,0,0|2,1,1]=4 41 B6R1.2 BrC1=CC=CS1 CS21414 [1,0,0,0,0,0|1,1,0]=3 42 B6R1.2 BrC1=CC=C[Se]1 MC114898 [1,0,0,0,0,0|1,1,0]=3 43 B6R1.2 BrC1=CC=NN1 CS17757 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 BrC1=CN=CO1 MC105695 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 BrC1=CN=CS1 CS14114 [1,0,0,0,0,0|2,1,0]=4 46 B6R1.2 BrC1=CNC=N1 CS14270 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 BrC1=CNN=C1 CS13922 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,0,0,0|1,0,0]=2 49 B6R1.2 BrC1=CSC=C1 CS21415 [1,0,0,0,0,0|1,1,0]=3 50 B6R1.2 BrC1=CSC=N1 MC20197 [1,0,0,0,0,0|2,1,0]=4 51 B6R1.2 BrC1=NC=CN1 CS19858 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 BrC1=NC=CO1 MC104314 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 BrC1=NC=CS1 CS14242 [1,0,0,0,0,0|2,1,0]=4 54 B6R1.2 BrC1=NNC=C1 CS19717 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 BrC1=NSC=C1 CS11529 [1,0,0,0,0,0|2,1,0]=4 57 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,0,0|1,0,0]=2 58 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,0,0|0,0,0]=1 59 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,0,0|0,1,0]=2 60 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 CC1=CN=CS1 CS10460 [1,0,0,0,0,0|1,1,0]=3 62 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CC1=CNC=N1 MC20397 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 CC1=CNN=C1 CS22982 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 CC1=CNN=N1 CS12910 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 CC1=CSC=N1 CS15621 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,0,0,0|1,0,0]=2 69 B6R1.2 CC1=NC=CS1 CS22598 [1,0,0,0,0,0|1,1,0]=3 70 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 CC1=NNC=N1 CS22353 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 CN1C=CC=C1 CS20770 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 CN1C=CC=N1 CS19419 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 CN1C=CN=C1 CS19753 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 CN1C=CN=N1 CS20743 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 CN1C=NC=N1 CS20744 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 ClC1=CC=NN1 CS16937 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 ClC1=CN=CN1 CS10347 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 ClC1=CNN=C1 CS18764 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 ClC1=CSC=N1 CS14317 [1,0,0,0,0,0|2,1,0]=4 83 B6R1.2 ClC1=NC=CO1 MC106420 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 ClC1=NNC=C1 MC103128 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 FC1=CC=NN1 MC104307 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 FC1=CN=CN1 MC429981 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 FC1=NC=CN1 MC430938 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 FC1=NC=CN1 MC431135 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 IC1=CC=CS1 CS21616 [1,0,0,0,0,0|1,1,0]=3 90 B6R1.2 IC1=CN=CS1 MC441132 [1,0,0,0,0,0|2,1,0]=4 91 B6R1.2 IC1=CNC=N1 CS14306 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 IC1=CNN=C1 CS14308 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 IC1=CSC=C1 CS22332 [1,0,0,0,0,0|1,1,0]=3 94 B6R1.2 IC1=NC=CN1 CS21881 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 IC1=NC=CO1 MC103755 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 IC1=NNC=C1 CS13669 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 NC1=CC=NS1 MC20989 [1,0,0,0,0,0|2,1,0]=4 98 B6R1.2 NC1=CNC=N1 CS16117 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 NC1=CNN=C1 CS18307 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 NC1=COC=N1 MC121309 [1,0,0,0,0,0|2,0,0]=3 101 B6R1.2 NC1=CON=C1 CS15739 [1,0,0,0,0,0|2,0,0]=3 102 B6R1.2 NC1=CSC=C1 CS12280 [1,0,0,0,0,0|1,1,0]=3 103 B6R1.2 NC1=CSC=N1 MC106910 [1,0,0,0,0,0|2,1,0]=4 104 B6R1.2 NC1=CSC=N1 MC121317 [1,0,0,0,0,0|2,1,0]=4 105 B6R1.2 NC1=NC=CN1 CS13716 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 NC1=NC=CN1 CS16946 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 NC1=NC=CO1 CS19070 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 NC1=NC=CS1 CS16381 [1,0,0,0,0,0|2,1,0]=4 109 B6R1.2 NC1=NNC=C1 CS22527 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,0,0,0|2,0,0]=3 111 B6R1.2 NN1C=CC=C1 MC10332 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 NN1C=CC=N1 MC105737 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,0,0,0|2,1,0]=4 114 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,0,0,0|1,1,0]=3 115 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,0,0,0|1,2,0]=4 116 B6R1.2 O=C1NC=CN1 MC20853 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 OC1=CNN=C1 MC41691 [1,0,0,0,0,0|2,1,0]=4 118 B6R1.2 OC1=NC=CS1 CS12100 [1,0,0,0,0,0|2,1,0]=4 119 B6R1.2 ON1C=CC=N1 CS12818 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 SC1=NN=CS1 MC20533 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.11 Br[Zn]c1sccc1Br MC121354 [0,1,0,0,0,0|2,1,0]=4 122 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.11 CC1=C(CO)NC=N1 CS14250 [0,1,0,0,0,0|2,1,0]=4 124 B8R1.11 CC1=CSC=C1C#N MC427492 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.11 CC1=NNC=C1C=O CS22355 [0,1,0,0,0,0|2,1,0]=4 126 B8R1.11 CC1=NSC=C1C#N MC116152 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.11 CCC1=NNC=C1I MC106505 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.11 CCN1N=CC=C1N MC444111 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.11 CN1C=CN=C1CO CS13833 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.11 CN1N=CC=C1C=O CS18205 [0,1,0,0,0,0|2,1,0]=4 131 B8R1.11 ClC1=C(CBr)C=CS1 CS14290 [0,1,0,0,0,0|2,1,0]=4 132 B8R1.11 N#CC1=C(Br)C=CS1 CS22192 [0,1,0,0,0,0|1,1,1]=4 133 B8R1.11 N#CC1=C(Cl)C=CS1 MC442674 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.11 N#CC1=C(N)NC=C1 CS21218 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [0,1,0,0,0,0|1,1,1]=4 136 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [0,1,0,0,0,0|1,1,0]=3 137 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [0,1,0,0,0,0|1,1,1]=4 139 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [0,1,0,0,0,0|1,2,0]=4 140 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [0,1,0,0,0,0|1,2,0]=4 142 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [0,1,0,0,0,0|1,1,1]=4 143 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [0,1,0,0,0,0|1,2,0]=4 144 B8R1.11 OCC1=C(Br)N=CS1 CS12138 [0,1,0,0,0,0|2,1,0]=4 145 B8R1.11 OCC1=C(Br)SC=C1 MC442201 [0,1,0,0,0,0|1,2,0]=4 146 B8R1.11 OCC1=C(F)C=CS1 MC429391 [0,1,0,0,0,0|1,1,0]=3 147 B8R1.18 BrC1=CC(Br)=C(Br)S1 MC41711 [0,1,0,0,0,0|2,1,0]=4 148 B8R1.18 CC1=C(Br)N=C(Br)S1 MC442181 [0,1,0,0,0,0|2,1,0]=4 149 B8R1.18 CC1=C(Br)NC(Br)=N1 CS19876 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.18 CC1=C(Br)SC(Br)=C1 MC442189 [0,1,0,0,0,0|2,1,0]=4 151 B8R1.18 CC1=C(Br)SC(N)=N1 CS15953 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.18 CC1=C(Br)SC(N)=N1 CS21269 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.18 CC1=C(C)SC(Br)=N1 CS13229 [0,1,0,0,0,0|2,1,0]=4 155 B8R1.18 CC1=C(C)SC(N)=N1 CS21234 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.18 CC1=C(Cl)N=C(Cl)S1 CS16846 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.18 CC1=C(Cl)SC(Br)=C1 MC442569 [0,1,0,0,0,0|2,1,0]=4 158 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS17499 [0,1,0,0,0,0|2,1,0]=4 159 B8R1.18 CC1=C(I)NC(I)=N1 CS19843 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,0,0,0|2,1,0]=4 161 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,1,0,0,0,0|1,1,0]=3 164 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.18 CC1=NC(Br)=CN1C MC107044 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.18 CC1=NN(C)C=C1I MC431130 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.18 CN1N=C(Br)C=C1N CS14912 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.18 CN1N=C(Cl)C=C1N MC105283 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.18 ClC1=C(Cl)SC(Br)=C1 CS16855 [0,1,0,0,0,0|2,1,0]=4 170 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.50 CC1=C(C)C(N)=NN1 CS22497 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.50 CC1=C(C)C(N)=NO1 CS13675 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,0,0,0|1,1,1]=4 175 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.50 CC1=CSC(C)=C1Br CS16729 [0,1,0,0,0,0|1,1,0]=3 177 B8R1.50 CC1=NC=C(Br)N1C MC425507 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.50 CC1=NNC(C)=C1Br CS18052 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.50 CC1=NNC(C)=C1I CS18086 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.50 CN1N=CC(Br)=C1N CS16215 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.50 CN1N=CC(F)=C1Cl MC430174 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.1 COC(=O)\C=C\I MC20613 [0,0,1,0,0,0|2,1,0]=4 185 B6R0.1 C\C=C\C(=O)OC MC41953 [0,0,1,0,0,0|2,1,0]=4 186 B6R0.3 C=CC(N)C(=O)O MC21080 [0,0,1,0,0,0|2,0,1]=4 187 B8R1.4 BrC1=CC(Br)=NC=C1 CS15110 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.4 BrC1=CC(I)=CC=C1 MC433479 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.4 BrC1=CC=CC(Br)=C1 CS19814 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.4 BrC1=CC=CC(Br)=N1 CS21793 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.4 BrC1=NC(Br)=NC=C1 CS10554 [0,0,0,0,0,1|3,0,0]=4 192 B8R1.4 BrC1=NC=CC(I)=C1 CS17279 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [0,0,0,0,0,1|3,0,0]=4 195 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,0,0,0,0,1|2,0,0]=3 197 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,0,0,0,0,1|2,1,0]=4 203 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,0,0,0,0,1|2,1,0]=4 204 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,0,0,1|1,1,0]=3 205 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [0,0,0,0,0,1|2,0,0]=3 207 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,0,0,1|1,1,0]=3 217 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,0,0,0,1|1,0,0]=2 218 B8R1.4 CC1=CC=C[N+]([O-])=C1 MC41624 [0,0,0,0,0,1|2,1,0]=4 219 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.4 CC1=CN=CC(Br)=N1 MC429040 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.4 CC1=CN=CC(Cl)=N1 CS21486 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,0,0,0,0,1|2,1,0]=4 228 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [0,0,0,0,0,1|2,1,0]=4 229 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [0,0,0,0,0,1|2,1,0]=4 233 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,0,0,1|1,1,0]=3 234 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,0,0,0,0,1|2,0,0]=3 236 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,0,0,0,0,1|2,0,0]=3 240 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [0,0,0,0,0,1|2,0,0]=3 241 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,0,0,0,0,1|1,1,0]=3 242 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [0,0,0,0,0,1|1,1,0]=3 243 B8R1.4 ClC1=CC(Br)=NC=C1 CS13973 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.4 ClC1=CC(Cl)=NC=C1 CS17291 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.4 ClC1=CC(I)=CC=C1 CS20663 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.4 ClC1=CC(I)=NC=C1 CS15413 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.4 ClC1=CC=CC(Br)=C1 CS22170 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.4 ClC1=CC=CC(Br)=N1 CS14668 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.4 ClC1=CC=CC(Cl)=N1 CS18899 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.4 ClC1=NC(Cl)=NC=C1 CS22557 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.4 ClC1=NC(I)=CC=C1 MC41607 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.4 ClC1=NC=CC(Br)=C1 CS21986 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.4 ClC1=NC=CC(Br)=N1 MC21047 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.4 ClC1=NC=CC(I)=C1 CS22695 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.4 FC1=CC(Br)=NC=C1 CS14190 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.4 FC1=CC(Cl)=NC=C1 CS17300 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.4 FC1=CC(F)=NC=C1 CS19909 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.4 FC1=CC(I)=CC=C1 CS18882 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 FC1=CC=CC(Br)=C1 MC41467 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.4 FC1=CC=CC(Br)=N1 CS13708 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.4 FC1=CC=CC(Cl)=C1 MC41473 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.4 FC1=CC=CC(Cl)=N1 CS18859 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.4 FC1=CC=CC(F)=N1 CS18752 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.4 FC1=CC=CC(S)=C1 MC20298 [0,0,0,0,0,1|2,0,0]=3 265 B8R1.4 FC1=NC(Br)=CC=C1 MC429392 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.4 FC1=NC(Cl)=NC=C1 MC429933 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.4 FC1=NC(F)=NC=C1 MC429251 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 FC1=NC=CC(Br)=C1 CS17277 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.4 FC1=NC=CC(Cl)=C1 CS14178 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.4 FC1=NC=CC(I)=C1 CS13375 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.4 IC1=CC=CC(I)=C1 MC433521 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.4 IC1=CC=CC(I)=N1 CS18354 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.4 NC1=CC(Br)=CC=C1 CS19169 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.4 NC1=CC(Br)=NC=C1 CS21962 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.4 NC1=CC(Br)=NC=C1 MC425916 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.4 NC1=CC(Cl)=CC=C1 CS22234 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.4 NC1=CC(Cl)=NC=C1 CS21964 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.4 NC1=CC(F)=CC=C1 CS19913 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.4 NC1=CC(F)=NC=C1 CS13865 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 NC1=CC(I)=CC=C1 CS19215 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 NC1=CC(N)=NC=C1 CS11909 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.4 NC1=CC(O)=NC=C1 CS18280 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.4 NC1=CC(O)=NC=C1 MC41598 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.4 NC1=CC=CC(=O)N1 CS22760 [0,0,0,0,0,1|2,1,0]=4 285 B8R1.4 NC1=CC=CC(N)=C1 MC40944 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.4 NC1=CC=CC(N)=N1 CS13686 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.4 NC1=CC=CC(O)=C1 MC41145 [0,0,0,0,0,1|2,1,0]=4 288 B8R1.4 NC1=CC=NC(=O)N1 MC114510 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.4 NC1=NC(=O)NC=C1 CS22211 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.4 NC1=NC(Br)=CC=C1 CS17641 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.4 NC1=NC(Br)=NC=C1 MC442843 [0,0,0,0,0,1|3,0,0]=4 292 B8R1.4 NC1=NC(Cl)=CC=C1 CS17675 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.4 NC1=NC(Cl)=NC=C1 CS22581 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.4 NC1=NC(F)=CC=C1 CS17727 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.4 NC1=NC(N)=NC=C1 CS22603 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [0,0,0,0,0,1|2,1,0]=4 297 B8R1.4 NC1=NC=CC(Br)=C1 CS16114 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.4 NC1=NC=CC(Br)=N1 MC442842 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.4 NC1=NC=CC(Cl)=C1 CS17669 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.4 NC1=NC=CC(Cl)=N1 CS15619 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.4 NC1=NC=CC(F)=C1 CS21251 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.4 NC1=NC=CC(F)=N1 MC104377 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.4 NC1=NC=CC(I)=C1 MC425094 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.4 NC1=NC=CC(I)=N1 CS12109 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.4 NC1=NC=CC(O)=C1 CS14161 [0,0,0,0,0,1|2,1,0]=4 306 B8R1.4 O=C1C=C(I)C=CN1 CS22900 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.4 O=C1C=C(O)C=CN1 CS19356 [0,0,0,0,0,1|2,1,0]=4 308 B8R1.4 O=C1C=CC=C(Cl)N1 CS10672 [0,0,0,0,0,1|2,1,0]=4 309 B8R1.4 O=C1C=CNC(=O)N1 CS19249 [0,0,0,0,0,1|2,1,0]=4 310 B8R1.4 OC1=CC(Br)=CC=C1 CS15169 [0,0,0,0,0,1|2,1,0]=4 311 B8R1.4 OC1=CC(Br)=NC=C1 CS14221 [0,0,0,0,0,1|2,1,0]=4 312 B8R1.4 OC1=CC(Cl)=CC=C1 CS19764 [0,0,0,0,0,1|2,1,0]=4 313 B8R1.4 OC1=CC(Cl)=NC=C1 CS22712 [0,0,0,0,0,1|2,1,0]=4 314 B8R1.4 OC1=CC(F)=CC=C1 CS19021 [0,0,0,0,0,1|2,1,0]=4 315 B8R1.4 OC1=CC(I)=CC=C1 CS19969 [0,0,0,0,0,1|2,1,0]=4 316 B8R1.4 OC1=CC=CC(S)=C1 MC20381 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.4 OC1=NC(Br)=CC=C1 CS14076 [0,0,0,0,0,1|2,1,0]=4 318 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [0,0,0,0,0,1|2,1,0]=4 319 B8R1.4 OC1=NC=CC(Br)=C1 CS14220 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.4 OC1=NC=CC(Cl)=C1 CS18294 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.4 OC1=NC=CC(F)=C1 CS21583 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.5 BrC1=C(Br)C=CC=C1 CS19765 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.5 BrC1=C(Br)C=NC=C1 CS13628 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.5 BrC1=C(I)C=CC=C1 CS19157 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.5 BrC1=CC=CN=C1Br CS22670 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.5 BrC1=NC=CC=C1I MC110926 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.5 BrC1=NC=CN=C1Br CS12573 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.5 CC1=C(Br)C=CC=C1 MC20187 [0,0,0,0,0,1|2,0,0]=3 329 B8R1.5 CC1=C(Br)C=CN=C1 CS13416 [0,0,0,0,0,1|2,0,0]=3 330 B8R1.5 CC1=C(Br)C=NC=C1 CS21916 [0,0,0,0,0,1|2,0,0]=3 331 B8R1.5 CC1=C(Cl)C=CC=C1 CS20009 [0,0,0,0,0,1|2,0,0]=3 332 B8R1.5 CC1=C(Cl)C=CN=C1 CS18038 [0,0,0,0,0,1|2,0,0]=3 333 B8R1.5 CC1=C(Cl)C=NC=C1 CS15751 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.5 CC1=C(Cl)N=NC=C1 MC444260 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.5 CC1=C(F)C=CC=C1 MC41519 [0,0,0,0,0,1|2,0,0]=3 336 B8R1.5 CC1=C(F)C=CN=C1 MC433051 [0,0,0,0,0,1|2,0,0]=3 337 B8R1.5 CC1=C(F)C=NC=C1 CS19332 [0,0,0,0,0,1|2,0,0]=3 338 B8R1.5 CC1=C(I)C=CC=C1 CS19198 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.5 CC1=C(N)C=CN=C1 CS19521 [0,0,0,0,0,1|2,0,0]=3 340 B8R1.5 CC1=C(N)C=NC=C1 CS21907 [0,0,0,0,0,1|2,0,0]=3 341 B8R1.5 CC1=C(O)C=CN=C1 CS13965 [0,0,0,0,0,1|1,1,0]=3 342 B8R1.5 CC1=C(O)C=NC=C1 CS22316 [0,0,0,0,0,1|1,1,0]=3 343 B8R1.5 CC1=CC=CC=C1C MC41549 [0,0,0,0,0,1|2,0,0]=3 344 B8R1.5 CC1=CC=CC=C1N CS20592 [0,0,0,0,0,1|2,0,0]=3 345 B8R1.5 CC1=CC=CC=C1O CS11813 [0,0,0,0,0,1|1,1,0]=3 346 B8R1.5 CC1=CC=CN=C1Br CS23002 [0,0,0,0,0,1|2,0,0]=3 347 B8R1.5 CC1=CC=CN=C1C CS21050 [0,0,0,0,0,1|2,0,0]=3 348 B8R1.5 CC1=CC=CN=C1Cl CS13857 [0,0,0,0,0,1|2,0,0]=3 349 B8R1.5 CC1=CC=CN=C1F CS19328 [0,0,0,0,0,1|2,0,0]=3 350 B8R1.5 CC1=CC=CN=C1N CS13775 [0,0,0,0,0,1|2,0,0]=3 351 B8R1.5 CC1=CC=CN=C1O CS19498 [0,0,0,0,0,1|1,1,0]=3 352 B8R1.5 CC1=CN=CN=C1Br CS12572 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.5 CC1=CN=CN=C1Cl CS19938 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.5 CC1=CN=CN=C1N CS12501 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.5 CC1=CN=CN=C1O CS10459 [0,0,0,0,0,1|2,1,0]=4 356 B8R1.5 CC1=NC=CC=C1Br MC20012 [0,0,0,0,0,1|2,0,0]=3 357 B8R1.5 CC1=NC=CC=C1Cl MC425470 [0,0,0,0,0,1|2,0,0]=3 358 B8R1.5 CC1=NC=CC=C1F CS19850 [0,0,0,0,0,1|2,0,0]=3 359 B8R1.5 CC1=NC=CC=C1N CS19518 [0,0,0,0,0,1|2,0,0]=3 360 B8R1.5 CC1=NC=CC=C1O MC20374 [0,0,0,0,0,1|1,1,0]=3 361 B8R1.5 CC1=NC=CN=C1Br CS12416 [0,0,0,0,0,1|2,0,0]=3 362 B8R1.5 CC1=NC=CN=C1C CS10108 [0,0,0,0,0,1|2,0,0]=3 363 B8R1.5 CC1=NC=CN=C1Cl CS17680 [0,0,0,0,0,1|2,0,0]=3 364 B8R1.5 CC1=NC=CN=C1N CS21232 [0,0,0,0,0,1|2,0,0]=3 365 B8R1.5 CC1=NC=CN=C1O CS21577 [0,0,0,0,0,1|1,1,0]=3 366 B8R1.5 CC1=NC=NC=C1Br CS11920 [0,0,0,0,0,1|2,0,0]=3 367 B8R1.5 CC1=NC=NC=C1I CS12766 [0,0,0,0,0,1|2,0,0]=3 368 B8R1.5 CC1=NC=NC=C1N CS19908 [0,0,0,0,0,1|2,0,0]=3 369 B8R1.5 C[N+]1=C(Cl)C=CC=C1 CS19467 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.5 ClC1=C(Br)C=CC=C1 CS21391 [0,0,0,0,0,1|3,0,0]=4 371 B8R1.5 ClC1=C(Br)C=CN=C1 CS15809 [0,0,0,0,0,1|3,0,0]=4 372 B8R1.5 ClC1=C(Cl)C=CC=C1 MC41478 [0,0,0,0,0,1|3,0,0]=4 373 B8R1.5 ClC1=C(Cl)C=NC=C1 CS14992 [0,0,0,0,0,1|3,0,0]=4 374 B8R1.5 ClC1=C(Cl)N=NC=C1 MC102217 [0,0,0,0,0,1|3,0,0]=4 375 B8R1.5 ClC1=C(I)C=CN=C1 CS17639 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.5 ClC1=C(I)C=CN=C1 CS19993 [0,0,0,0,0,1|3,0,0]=4 377 B8R1.5 ClC1=C(I)C=NC=C1 CS17640 [0,0,0,0,0,1|3,0,0]=4 378 B8R1.5 ClC1=CC=CN=C1Br CS17272 [0,0,0,0,0,1|3,0,0]=4 379 B8R1.5 ClC1=CC=CN=C1Cl CS13373 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.5 ClC1=NC=CC=C1Br CS22671 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.5 ClC1=NC=CC=C1I CS22694 [0,0,0,0,0,1|3,0,0]=4 382 B8R1.5 ClC1=NC=NC=C1Br CS22769 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.5 ClC1=NC=NC=C1I CS19722 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.5 FC1=C(Br)C=CC=C1 CS19658 [0,0,0,0,0,1|3,0,0]=4 385 B8R1.5 FC1=C(Br)C=CN=C1 MC429590 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.5 FC1=C(Br)C=NC=C1 CS13534 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.5 FC1=C(Cl)C=CC=C1 MC429398 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.5 FC1=C(Cl)C=CN=C1 MC429592 [0,0,0,0,0,1|3,0,0]=4 389 B8R1.5 FC1=C(F)C=CC=C1 CS20490 [0,0,0,0,0,1|3,0,0]=4 390 B8R1.5 FC1=C(F)C=NC=C1 MC431362 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.5 FC1=C(I)C=CC=C1 MC429560 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.5 FC1=C(I)C=CN=C1 CS18172 [0,0,0,0,0,1|3,0,0]=4 393 B8R1.5 FC1=C(S)C=CC=C1 MC429404 [0,0,0,0,0,1|2,0,0]=3 394 B8R1.5 FC1=CC=CN=C1Br CS14296 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.5 FC1=CC=CN=C1Cl CS17308 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.5 FC1=CC=CN=C1F CS18753 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.5 FC1=CN=CN=C1Cl CS11918 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.5 FC1=NC=CC=C1Br CS14198 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.5 FC1=NC=CC=C1Cl CS18743 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.5 FC1=NC=CC=C1I CS21866 [0,0,0,0,0,1|3,0,0]=4 401 B8R1.5 IC1=C(I)C=CC=C1 MC41488 [0,0,0,0,0,1|3,0,0]=4 402 B8R1.5 NC1=C(Br)C=CC=C1 CS19197 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.5 NC1=C(Br)C=CN=C1 CS13987 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.5 NC1=C(Br)C=NC=C1 CS21968 [0,0,0,0,0,1|3,0,0]=4 405 B8R1.5 NC1=C(Cl)C=CC=C1 CS19766 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.5 NC1=C(Cl)C=CN=C1 CS22737 [0,0,0,0,0,1|3,0,0]=4 407 B8R1.5 NC1=C(Cl)C=NC=C1 CS13897 [0,0,0,0,0,1|3,0,0]=4 408 B8R1.5 NC1=C(F)C=CC=C1 MC40915 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.5 NC1=C(F)C=CN=C1 MC106328 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.5 NC1=C(F)C=NC=C1 CS13971 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.5 NC1=C(I)C=CC=C1 CS23020 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.5 NC1=C(I)C=CN=C1 CS17808 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.5 NC1=C(I)C=NC=C1 CS18532 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.5 NC1=C(N)C=NC=C1 CS22778 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.5 NC1=C(O)C=CC=C1 CS21309 [0,0,0,0,0,1|2,1,0]=4 416 B8R1.5 NC1=C(O)C=CN=C1 MC427456 [0,0,0,0,0,1|2,1,0]=4 417 B8R1.5 NC1=C(O)C=NC=C1 CS14741 [0,0,0,0,0,1|2,1,0]=4 418 B8R1.5 NC1=C(S)C=CC=C1 MC41400 [0,0,0,0,0,1|2,0,0]=3 419 B8R1.5 NC1=C(S)C=CN=C1 MC427552 [0,0,0,0,0,1|2,0,0]=3 420 B8R1.5 NC1=C(S)C=NC=C1 MC427410 [0,0,0,0,0,1|2,0,0]=3 421 B8R1.5 NC1=CC=CC=C1N CS11822 [0,0,0,0,0,1|3,0,0]=4 422 B8R1.5 NC1=CC=CN=C1Br CS22729 [0,0,0,0,0,1|3,0,0]=4 423 B8R1.5 NC1=CC=CN=C1Cl CS17686 [0,0,0,0,0,1|3,0,0]=4 424 B8R1.5 NC1=CC=CN=C1F CS22742 [0,0,0,0,0,1|3,0,0]=4 425 B8R1.5 NC1=CC=CN=C1I CS18159 [0,0,0,0,0,1|3,0,0]=4 426 B8R1.5 NC1=CC=CN=C1N CS21785 [0,0,0,0,0,1|3,0,0]=4 427 B8R1.5 NC1=CC=CNC1=O CS15503 [0,0,0,0,0,1|2,1,0]=4 428 B8R1.5 NC1=CC=CNC1=S CS20821 [0,0,0,0,0,1|2,0,1]=4 429 B8R1.5 NC1=CC=NNC1=O CS15772 [0,0,0,0,0,1|3,0,0]=4 430 B8R1.5 NC1=CN=CN=C1Br CS12371 [0,0,0,0,0,1|3,0,0]=4 431 B8R1.5 NC1=CN=CN=C1Cl CS10217 [0,0,0,0,0,1|3,0,0]=4 432 B8R1.5 NC1=CN=CN=C1N MC10418 [0,0,0,0,0,1|3,0,0]=4 433 B8R1.5 NC1=NC=CC=C1Br CS17634 [0,0,0,0,0,1|3,0,0]=4 434 B8R1.5 NC1=NC=CC=C1Cl CS17664 [0,0,0,0,0,1|3,0,0]=4 435 B8R1.5 NC1=NC=CC=C1F CS13951 [0,0,0,0,0,1|3,0,0]=4 436 B8R1.5 NC1=NC=CC=C1I CS13464 [0,0,0,0,0,1|3,0,0]=4 437 B8R1.5 NC1=NC=CC=C1O CS22765 [0,0,0,0,0,1|2,1,0]=4 438 B8R1.5 NC1=NC=CC=C1S MC110834 [0,0,0,0,0,1|2,0,0]=3 439 B8R1.5 NC1=NC=CN=C1Br CS21229 [0,0,0,0,0,1|3,0,0]=4 440 B8R1.5 NC1=NC=CN=C1Cl CS18423 [0,0,0,0,0,1|3,0,0]=4 441 B8R1.5 NC1=NC=CN=C1I CS12456 [0,0,0,0,0,1|3,0,0]=4 442 B8R1.5 NC1=NC=CN=C1O CS21231 [0,0,0,0,0,1|2,1,0]=4 443 B8R1.5 NC1=NC=NC=C1Br CS18005 [0,0,0,0,0,1|3,0,0]=4 444 B8R1.5 NC1=NC=NC=C1Cl CS12255 [0,0,0,0,0,1|3,0,0]=4 445 B8R1.5 NC1=NC=NC=C1F CS12828 [0,0,0,0,0,1|3,0,0]=4 446 B8R1.5 NC1=NC=NC=C1O CS16658 [0,0,0,0,0,1|2,1,0]=4 447 B8R1.5 O=C1C=COC=C1O CS16007 [0,0,0,0,0,1|1,1,0]=3 448 B8R1.5 O=C1N=CNC=C1Br CS10567 [0,0,0,0,0,1|3,0,0]=4 449 B8R1.5 O=C1N=CNC=C1Br CS12515 [0,0,0,0,0,1|3,0,0]=4 450 B8R1.5 O=C1NC=CC=C1Cl CS13621 [0,0,0,0,0,1|2,1,0]=4 451 B8R1.5 O=C1NC=CC=C1F CS13754 [0,0,0,0,0,1|2,1,0]=4 452 B8R1.5 O=C1NC=CC=C1I CS16075 [0,0,0,0,0,1|2,1,0]=4 453 B8R1.5 O=C1NC=CC=C1O CS22752 [0,0,0,0,0,1|2,1,0]=4 454 B8R1.5 O=C1NC=NC=C1O CS15721 [0,0,0,0,0,1|2,1,0]=4 455 B8R1.5 O=C1NN=CC=C1Cl CS15942 [0,0,0,0,0,1|3,0,0]=4 456 B8R1.5 O=C1OC=CC=C1O CS22311 [0,0,0,0,0,1|1,1,0]=3 457 B8R1.5 OC1=C(Br)C=CC=C1 CS19429 [0,0,0,0,0,1|2,1,0]=4 458 B8R1.5 OC1=C(Br)C=CN=C1 CS13781 [0,0,0,0,0,1|2,1,0]=4 459 B8R1.5 OC1=C(Br)C=NC=C1 CS14222 [0,0,0,0,0,1|2,1,0]=4 460 B8R1.5 OC1=C(Cl)C=CC=C1 MC41174 [0,0,0,0,0,1|2,1,0]=4 461 B8R1.5 OC1=C(Cl)C=CN=C1 CS16383 [0,0,0,0,0,1|2,1,0]=4 462 B8R1.5 OC1=C(Cl)C=NC=C1 CS16225 [0,0,0,0,0,1|2,1,0]=4 463 B8R1.5 OC1=C(F)C=CC=C1 MC20096 [0,0,0,0,0,1|2,1,0]=4 464 B8R1.5 OC1=C(F)C=NC=C1 CS22284 [0,0,0,0,0,1|2,1,0]=4 465 B8R1.5 OC1=C(I)C=CC=C1 MC20193 [0,0,0,0,0,1|2,1,0]=4 466 B8R1.5 OC1=C(I)C=CN=C1 CS12130 [0,0,0,0,0,1|2,1,0]=4 467 B8R1.5 OC1=C(I)C=NC=C1 MC425611 [0,0,0,0,0,1|2,1,0]=4 468 B8R1.5 OC1=CC=CC=C1O CS11109 [0,0,0,0,0,1|2,1,0]=4 469 B8R1.5 OC1=CC=CN=C1Br CS17449 [0,0,0,0,0,1|2,1,0]=4 470 B8R1.5 OC1=CC=CN=C1Cl CS17508 [0,0,0,0,0,1|2,1,0]=4 471 B8R1.5 OC1=CC=CN=C1F CS13836 [0,0,0,0,0,1|2,1,0]=4 472 B8R1.5 OC1=CC=CN=C1I CS14294 [0,0,0,0,0,1|2,1,0]=4 473 B8R1.5 OC1=NC=CC=C1Br CS18703 [0,0,0,0,0,1|2,1,0]=4 474 B8R1.5 OC1=NC=NC=C1F CS22574 [0,0,0,0,0,1|3,0,0]=4 475 B8R1.5 OC1=NC=NC=C1I CS12263 [0,0,0,0,0,1|3,0,0]=4 476 B8R1.5 SC1=C(I)C=CC=C1 MC41410 [0,0,0,0,0,1|2,0,0]=3 477 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,1,0,0,0|1,1,0]=4 478 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,1,0,0,0|1,1,0]=4 479 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,1,0,0,0|1,0,1]=4 480 B5R1.1 C1=CNC=C1 MC20798 [2,0,0,0,0,0|1,0,0]=3 481 B5R1.1 C1=CNC=N1 CS19767 [2,0,0,0,0,0|2,0,0]=4 482 B5R1.1 C1=CNN=C1 CS18933 [2,0,0,0,0,0|2,0,0]=4 483 B5R1.1 C1=CON=C1 MC20462 [2,0,0,0,0,0|1,0,0]=3 484 B5R1.1 C1=CSC=C1 MC41709 [2,0,0,0,0,0|0,1,0]=3 485 B5R1.1 C1=CSC=N1 MC425154 [2,0,0,0,0,0|1,1,0]=4 486 B5R1.1 C1=CSN=C1 MC20995 [2,0,0,0,0,0|1,1,0]=4 487 B5R1.1 C1=C[CH-]C=C1 MC21078 [2,0,0,0,0,0|1,0,0]=3 488 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,1,1,0,0,0|1,1,0]=4 489 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,1,1,0,0,0|0,1,1]=4 490 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,1,1,0,0,0|0,1,1]=4 491 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,1,1,0,0,0|0,1,1]=4 492 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,1,1,0,0,0|1,1,0]=4 493 B7R1.1 BrCC1=CC=CS1 MC111260 [1,1,0,0,0,0|0,1,0]=3 494 B7R1.1 BrCC1=CC=NO1 MC114075 [1,1,0,0,0,0|1,0,0]=3 495 B7R1.1 BrCC1=COC=C1 MC111404 [1,1,0,0,0,0|1,0,0]=3 496 B7R1.1 BrCC1=NC=CO1 MC106296 [1,1,0,0,0,0|1,0,0]=3 497 B7R1.1 BrCC1=NC=CS1 CS12090 [1,1,0,0,0,0|1,1,0]=4 498 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,1,0,0,0,0|1,1,0]=4 499 B7R1.1 CCC1=NC=CN1 CS21533 [1,1,0,0,0,0|2,0,0]=4 500 B7R1.1 CCN1C=CC=N1 CS20681 [1,1,0,0,0,0|2,0,0]=4 501 B7R1.1 CNC1=NC=CS1 CS12598 [1,1,0,0,0,0|1,1,0]=4 502 B7R1.1 COC1=CSC=C1 CS22351 [1,1,0,0,0,0|0,2,0]=4 503 B7R1.1 COC1=NC=CS1 CS22597 [1,1,0,0,0,0|1,1,0]=4 504 B7R1.1 CSC1=CNN=C1 MC445675 [1,1,0,0,0,0|2,0,0]=4 505 B7R1.1 CSC1=NC=CO1 CS17723 [1,1,0,0,0,0|1,0,0]=3 506 B7R1.1 ClCC1=CC=CO1 CS13429 [1,1,0,0,0,0|0,0,0]=2 507 B7R1.1 ClCC1=CN=CO1 MC105780 [1,1,0,0,0,0|1,0,0]=3 508 B7R1.1 ClCC1=CN=CO1 MC114644 [1,1,0,0,0,0|1,0,0]=3 509 B7R1.1 ClCC1=CN=CS1 CS16156 [1,1,0,0,0,0|1,1,0]=4 510 B7R1.1 ClCC1=COC=N1 MC113786 [1,1,0,0,0,0|2,0,0]=4 511 B7R1.1 ClCC1=NC=CN1 CS20896 [1,1,0,0,0,0|2,0,0]=4 512 B7R1.1 ClCC1=NNC=C1 MC442276 [1,1,0,0,0,0|2,0,0]=4 513 B7R1.1 I[Zn]c1ccsc1 MC116065 [1,1,0,0,0,0|1,1,0]=4 514 B7R1.1 N#CC1=CC=CS1 CS22701 [1,1,0,0,0,0|0,1,1]=4 515 B7R1.1 N#CC1=CC=NO1 CS17495 [1,1,0,0,0,0|1,0,1]=4 516 B7R1.1 N#CC1=COC=N1 CS18363 [1,1,0,0,0,0|2,0,0]=4 517 B7R1.1 N#CC1=CSC=C1 CS17418 [1,1,0,0,0,0|1,1,0]=4 518 B7R1.1 NCC1=CC=CN1 CS14874 [1,1,0,0,0,0|1,0,0]=3 519 B7R1.1 NCC1=CC=CO1 MC41689 [1,1,0,0,0,0|0,0,0]=2 520 B7R1.1 NCC1=CC=CS1 CS22783 [1,1,0,0,0,0|0,1,0]=3 521 B7R1.1 NCC1=CN=CO1 CS17502 [1,1,0,0,0,0|1,0,0]=3 522 B7R1.1 NCC1=CN=CO1 CS18508 [1,1,0,0,0,0|1,0,0]=3 523 B7R1.1 NCC1=CN=CO1 MC104477 [1,1,0,0,0,0|1,0,0]=3 524 B7R1.1 NCC1=CNC=N1 CS15263 [1,1,0,0,0,0|2,0,0]=4 525 B7R1.1 NCC1=CNC=N1 CS16828 [1,1,0,0,0,0|2,0,0]=4 526 B7R1.1 NCC1=CON=C1 MC104809 [1,1,0,0,0,0|2,0,0]=4 527 B7R1.1 NCC1=CON=C1 MC114871 [1,1,0,0,0,0|2,0,0]=4 528 B7R1.1 NCC1=CSC=C1 CS22417 [1,1,0,0,0,0|1,1,0]=4 529 B7R1.1 NCC1=CSC=N1 MC116268 [1,1,0,0,0,0|2,0,0]=4 530 B7R1.1 NCC1=NC=CS1 MC444202 [1,1,0,0,0,0|1,1,0]=4 531 B7R1.1 NCC1=NN=CO1 MC103312 [1,1,0,0,0,0|2,0,0]=4 532 B7R1.1 NCC1=NNC=C1 CS15493 [1,1,0,0,0,0|2,0,0]=4 533 B7R1.1 NCC1=NSC=C1 MC105065 [1,1,0,0,0,0|2,0,0]=4 534 B7R1.1 NCc1cocn1 MC102412 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.1 O=CC1=CC=CN1 CS17764 [1,1,0,0,0,0|1,0,1]=4 536 B7R1.1 O=CC1=CC=CN1 MC434011 [1,1,0,0,0,0|1,0,1]=4 537 B7R1.1 O=CC1=CC=CO1 MC41686 [1,1,0,0,0,0|0,0,1]=3 538 B7R1.1 O=CC1=CC=CS1 CS16400 [1,1,0,0,0,0|0,1,1]=4 539 B7R1.1 O=CC1=CN=CO1 MC100355 [1,1,0,0,0,0|1,0,1]=4 540 B7R1.1 O=CC1=CNC=C1 CS20728 [1,1,0,0,0,0|1,1,0]=4 541 B7R1.1 O=CC1=CSC=C1 CS14553 [1,1,0,0,0,0|0,2,0]=4 542 B7R1.1 OCC1=CC=CO1 MC41687 [1,1,0,0,0,0|0,0,0]=2 543 B7R1.1 OCC1=CC=NO1 CS15343 [1,1,0,0,0,0|1,0,0]=3 544 B7R1.1 OCC1=CN=CS1 CS16191 [1,1,0,0,0,0|1,1,0]=4 545 B7R1.1 OCC1=COC=C1 CS22303 [1,1,0,0,0,0|0,1,0]=3 546 B7R1.1 OCC1=CON=C1 MC104808 [1,1,0,0,0,0|1,1,0]=4 547 B7R1.1 OCC1=CSC=C1 CS18039 [1,1,0,0,0,0|0,2,0]=4 548 B7R1.1 OCC1=CSC=N1 CS22892 [1,1,0,0,0,0|2,0,0]=4 549 B7R1.1 OCC1=NC=CS1 MC113802 [1,1,0,0,0,0|1,1,0]=4 550 B7R1.1 OCN1C=CC=N1 CS11902 [1,1,0,0,0,0|2,0,0]=4 551 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,1,0,0,0,0|1,1,0]=4 552 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [1,1,0,0,0,0|1,1,0]=4 553 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,1,0,0,0,0|1,0,1]=4 554 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,1,0,0,0,0|0,0,1]=3 555 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,1,0,0,0,0|2,0,0]=4 556 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,1,0,0,0,0|0,1,0]=3 557 B7R1.2 CC1=CC(Br)=NN1 CS12832 [1,1,0,0,0,0|2,0,0]=4 558 B7R1.2 CC1=CC(Br)=NO1 MC113406 [1,1,0,0,0,0|1,0,0]=3 559 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,1,0,0,0,0|2,0,0]=4 560 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,1,0,0,0,0|1,0,0]=3 561 B7R1.2 CC1=CC(I)=NN1 CS16887 [1,1,0,0,0,0|2,0,0]=4 562 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,1,0,0,0,0|0,1,0]=3 563 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,1,0,0,0,0|1,0,0]=3 564 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,1,0,0,0,0|2,0,0]=4 565 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,1,0,0,0,0|2,0,0]=4 566 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,1,0,0,0,0|1,1,0]=4 567 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,1,0,0,0,0|1,1,0]=4 568 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,1,0,0,0,0|1,1,0]=4 569 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,1,0,0,0,0|2,0,0]=4 570 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,1,0,0,0,0|2,0,0]=4 571 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,1,0,0,0,0|2,0,0]=4 572 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,1,0,0,0,0|2,0,0]=4 573 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,1,0,0,0,0|1,1,0]=4 574 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,1,0,0,0,0|1,1,0]=4 575 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,1,0,0,0,0|1,1,0]=4 576 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,1,0,0,0,0|1,1,0]=4 577 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,1,0,0,0,0|2,0,0]=4 578 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,1,0,0,0,0|1,1,0]=4 579 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,1,0,0,0,0|2,0,0]=4 580 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,1,0,0,0,0|1,1,0]=4 581 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,1,0,0,0,0|2,0,0]=4 582 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,1,0,0,0,0|2,0,0]=4 583 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,1,0,0,0,0|2,0,0]=4 584 B7R1.2 CC1=NOC(N)=C1 CS16239 [1,1,0,0,0,0|2,0,0]=4 585 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,1,0,0,0,0|2,0,0]=4 586 B7R1.2 CC1=NSC(Br)=C1 CS10288 [1,1,0,0,0,0|2,0,0]=4 587 B7R1.2 CC1=NSC(I)=C1 MC100265 [1,1,0,0,0,0|2,0,0]=4 588 B7R1.2 CC1=NSC(N)=C1 CS16387 [1,1,0,0,0,0|2,0,0]=4 589 B7R1.2 CN1C=C(Br)C=N1 CS19794 [1,1,0,0,0,0|2,0,0]=4 590 B7R1.2 CN1C=C(Cl)C=N1 CS12276 [1,1,0,0,0,0|2,0,0]=4 591 B7R1.2 CN1C=C(I)C=N1 CS20765 [1,1,0,0,0,0|2,0,0]=4 592 B7R1.2 CN1C=C(N)C=N1 CS12134 [1,1,0,0,0,0|2,0,0]=4 593 B7R1.2 CN1C=C(N)C=N1 CS15973 [1,1,0,0,0,0|2,0,0]=4 594 B7R1.2 CN1C=C(N)C=N1 MC41661 [1,1,0,0,0,0|2,0,0]=4 595 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,1,0,0,0,0|2,0,0]=4 596 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,1,0,0,0,0|2,0,0]=4 597 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,1,0,0,0,0|2,0,0]=4 598 B7R1.2 CN1C=CC(N)=C1 CS17699 [1,1,0,0,0,0|2,0,0]=4 599 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,1,0,0,0,0|2,0,0]=4 600 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,1,0,0,0,0|1,1,0]=4 601 B7R1.2 FC1=CSC(Br)=C1 MC430931 [1,1,0,0,0,0|1,1,0]=4 602 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [1,1,0,0,0,0|1,1,0]=4 603 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [1,1,0,0,0,0|1,1,0]=4 604 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [1,1,0,0,0,0|1,1,0]=4 605 B9R1.2 BrCC1=CC(I)=CC=C1 MC40562 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.2 BrCC1=CC=CC(Br)=C1 CS19344 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.2 C#CC1=CC(C)=NC=C1 MC103098 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.2 C=NC1=CC(C)=CC=C1 MC111025 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.2 CC1=CC=CC(C#N)=C1 CS19778 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,1,0,0,0,1|1,1,0]=4 618 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,1,0,0,0,1|1,1,0]=4 619 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,1,0,0,0,1|1,1,0]=4 624 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.2 CC1=NC=CC(C#N)=C1 MC21144 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,1,0,0,0,1|1,1,0]=4 630 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,1,0,0,0,1|1,1,0]=4 631 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [0,1,0,0,0,1|1,1,0]=4 642 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.2 CNC1=NC=CC(Br)=N1 CS14470 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [0,1,0,0,0,1|1,1,0]=4 655 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [0,1,0,0,0,1|1,1,0]=4 656 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,1,0,0,0,1|1,1,0]=4 657 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,1,0,0,0,1|1,1,0]=4 658 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.2 COC1=NC=CC(Br)=N1 MC442715 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.2 COC1=NC=CC(N)=N1 CS10114 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [0,1,0,0,0,1|1,1,0]=4 667 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.2 CSC1=NC=CC(=O)N1 CS22771 [0,1,0,0,0,1|1,1,0]=4 671 B9R1.2 CSC1=NC=CC(Br)=N1 MC425588 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.2 CSC1=NC=CC(Cl)=N1 CS18332 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.2 CSC1=NC=CC(N)=N1 CS20913 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [0,1,0,0,0,1|1,1,0]=4 676 B9R1.2 Cc1cc(C#N)ccn1 MC115556 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.2 ClC1=CC=CC(CBr)=C1 CS22235 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.2 ClCC1=CC(Br)=CC=C1 MC40579 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.2 ClCC1=CC(Cl)=CC=C1 MC40582 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.2 FC1=CC=CC(CBr)=C1 MC40552 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.2 FC1=CC=CC(CCl)=C1 CS19068 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.2 FCC1=CC=CC(F)=C1 MC433530 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.2 NC1=CC=CC(CO)=C1 CS18821 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.2 NCC1=CC(Br)=CC=C1 CS19652 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.2 NCC1=CC(Br)=CC=C1 MC40798 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.2 NCC1=CC(Cl)=CC=C1 MC33134 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.2 NCC1=CC(F)=CC=C1 MC33025 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.2 NCC1=CC(I)=CC=C1 CS22330 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.2 OC1=CC(CBr)=CC=C1 MC425573 [0,1,0,0,0,1|1,1,0]=4 700 B9R1.2 OCC1=CC(F)=CC=C1 CS19069 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.2 OCC1=CC(O)=CC=C1 MC40720 [0,1,0,0,0,1|1,1,0]=4 702 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [0,1,0,0,0,1|1,1,0]=4 709 B9R1.3 CC1=C(Br)C(Cl)=CC=C1 MC41498 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.3 CC1=C(Br)C(F)=CC=C1 MC30071 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.3 CC1=C(C)C(Br)=CC=C1 CS19738 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.3 CC1=C(F)C(Br)=CC=C1 MC30221 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.3 CC1=C(I)C(Cl)=CC=C1 CS20195 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.3 CC1=C(I)C(F)=CC=C1 CS20026 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.3 CC1=C(N)C(N)=CC=C1 MC33098 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.3 CC1=C(O)C(=O)C=CO1 MC21095 [0,1,0,0,0,1|0,1,0]=3 717 B9R1.3 CC1=C(O)C(O)=CC=C1 MC30145 [0,1,0,0,0,1|1,1,0]=4 718 B9R1.3 CC1=CC=CC(Br)=C1N CS10505 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.3 CC1=CC=CC(Br)=C1O MC41161 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.3 CC1=CC=CC(Br)=C1S MC111932 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.3 CC1=CC=CC(C)=C1Br CS19952 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.3 CC1=CC=CC(C)=C1Cl MC41533 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.3 CC1=CC=CC(C)=C1I MC41542 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.3 CC1=CC=CC(C)=C1N CS19754 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.3 CC1=CC=CC(C)=C1O CS21185 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] MC41613 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.3 CC1=CC=CC(Cl)=C1C MC41535 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.3 CC1=CC=CC(Cl)=C1F CS22205 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.3 CC1=CC=CC(Cl)=C1N CS13397 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.3 CC1=CC=CC(F)=C1C MC30143 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.3 CC1=CC=CC(F)=C1F CS19914 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.3 CC1=CC=CC(F)=C1N CS10511 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.3 CC1=CC=CC(F)=C1O MC433389 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.3 CC1=CC=CC(N)=C1Br CS12669 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.3 CC1=CC=CC(N)=C1C MC40904 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.3 CC1=CC=CC(N)=C1F MC433020 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.3 CC1=CC=CC(N)=C1O CS13842 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.3 CC1=CC=CC(O)=C1C MC41190 [0,1,0,0,0,1|1,1,0]=4 739 B9R1.3 CC1=CC=CC(O)=C1Cl MC443764 [0,1,0,0,0,1|1,1,0]=4 740 B9R1.3 CC1=CC=CC(O)=C1F MC20207 [0,1,0,0,0,1|1,1,0]=4 741 B9R1.3 CC1=CC=CC(O)=C1I MC442299 [0,1,0,0,0,1|1,1,0]=4 742 B9R1.3 CC1=CC=CC(O)=C1N CS14085 [0,1,0,0,0,1|1,1,0]=4 743 B9R1.3 CC1=CC=CC(S)=C1C MC20384 [0,1,0,0,0,1|1,0,0]=3 744 B9R1.3 CC1=NC=CC(Br)=C1C CS15313 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.3 CC1=NC=CC(Br)=C1F CS17321 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.3 CC1=NC=CC(C)=C1O MC430625 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.3 CC1=NC=CC(Cl)=C1C MC442671 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.3 CC1=NC=CC(Cl)=C1N CS15139 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.3 CC1=NC=CC(N)=C1Br MC432357 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.3 CC1=NC=CC(N)=C1C CS14420 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.3 CC1=NC=CC(N)=C1N CS21697 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.3 SC1=C(Cl)C(Cl)=CC=C1 MC41403 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.34 CC1=CC(=O)C=C(O)O1 CS16601 [0,1,0,0,0,1|0,1,0]=3 754 B9R1.34 CC1=CC(Br)=CC(Br)=C1 MC41514 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.34 CC1=CC(Br)=CC(Br)=N1 MC441309 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.34 CC1=CC(Br)=CC(C)=N1 CS17464 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 CS15189 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.34 CC1=CC(Br)=CC(F)=C1 CS10391 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.34 CC1=CC(Br)=CC(F)=N1 MC431200 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.34 CC1=CC(Br)=CC(O)=N1 CS15180 [0,1,0,0,0,1|1,1,0]=4 761 B9R1.34 CC1=CC(Br)=NC(C)=C1 CS14545 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.34 CC1=CC(C)=CC(Br)=C1 CS19140 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.34 CC1=CC(C)=CC(C)=C1 MC41548 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.34 CC1=CC(C)=CC(I)=C1 CS19879 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.34 CC1=CC(C)=CC(N)=C1 CS19815 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.34 CC1=CC(C)=CC(O)=C1 MC41192 [0,1,0,0,0,1|1,1,0]=4 767 B9R1.34 CC1=CC(C)=CC(S)=C1 MC41408 [0,1,0,0,0,1|1,0,0]=3 768 B9R1.34 CC1=CC(C)=NC(C)=C1 MC41641 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.34 CC1=CC(C)=NC(S)=N1 CS19545 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.34 CC1=CC(C)=NC(S)=N1 MC41647 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.34 CC1=CC(Cl)=CC(C)=N1 CS17490 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 CS21779 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 CS21090 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.34 CC1=CC(Cl)=CC(F)=N1 MC429626 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.34 CC1=CC(Cl)=CC(N)=N1 CS21244 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.34 CC1=CC(Cl)=NC(C)=C1 CS18953 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.34 CC1=CC(Cl)=NC(C)=N1 CS19474 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.34 CC1=CC(F)=CC(F)=C1 MC433025 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.34 CC1=CC(F)=CC(F)=N1 MC432636 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.34 CC1=CC(F)=CC(O)=N1 MC431644 [0,1,0,0,0,1|1,1,0]=4 781 B9R1.34 CC1=CC(I)=CC(C)=N1 CS15577 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.34 CC1=CC(I)=CC(N)=N1 MC430536 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.34 CC1=CC(N)=CC(Br)=C1 CS12564 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.34 CC1=CC(N)=CC(Br)=N1 MC441310 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.34 CC1=CC(N)=CC(C)=N1 CS17195 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.34 CC1=CC(N)=CC(Cl)=N1 MC427512 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.34 CC1=CC(N)=CC(F)=C1 CS20369 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.34 CC1=CC(N)=NC(C)=C1 CS19570 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.34 CC1=CC(N)=NC(C)=N1 CS14489 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.34 CC1=CC(O)=CC(=O)N1 CS15737 [0,1,0,0,0,1|1,1,0]=4 791 B9R1.34 CC1=CC(O)=CC(=O)O1 CS15586 [0,1,0,0,0,1|0,1,0]=3 792 B9R1.34 CC1=CC(O)=CC(Br)=C1 CS17351 [0,1,0,0,0,1|1,1,0]=4 793 B9R1.34 CC1=CC(O)=CC(C)=N1 CS21802 [0,1,0,0,0,1|1,1,0]=4 794 B9R1.34 CC1=CC(O)=CC(Cl)=C1 CS22228 [0,1,0,0,0,1|1,1,0]=4 795 B9R1.34 CC1=CC(O)=CC(Cl)=N1 MC441247 [0,1,0,0,0,1|1,1,0]=4 796 B9R1.34 CC1=CC(O)=CC(F)=C1 MC41197 [0,1,0,0,0,1|1,1,0]=4 797 B9R1.34 CC1=CC(O)=CC(N)=C1 CS22082 [0,1,0,0,0,1|1,1,0]=4 798 B9R1.34 CC1=CC(O)=CC(O)=C1 CS19696 [0,1,0,0,0,1|1,1,0]=4 799 B9R1.34 CC1=CC(O)=CC(O)=N1 CS21109 [0,1,0,0,0,1|1,1,0]=4 800 B9R1.34 CC1=CC(O)=NC(C)=C1 CS18772 [0,1,0,0,0,1|1,1,0]=4 801 B9R1.34 CC1=NC(C)=NC(O)=C1 MC428287 [0,1,0,0,0,1|1,1,0]=4 802 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 MC10399 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.34 CC1=NC(Cl)=CC(N)=N1 CS17451 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.34 CC1=NC(Cl)=CC(O)=N1 MC431944 [0,1,0,0,0,1|1,1,0]=4 805 B9R1.34 CC1=NC(I)=CC(I)=N1 CS19730 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.34 CC1=NC(I)=CC(N)=N1 CS15438 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.34 CC1=NC(N)=CC(N)=N1 MC102817 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.34 CC1=NC(O)=CC(O)=N1 CS17927 [0,1,0,0,0,1|1,1,0]=4 809 B9R1.34 Cc1cc(C)cc(C)c1 MC444978 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.34 Cc1cc(C)cc(F)c1 CS10870 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.34 FC1=CC(F)=CC(S)=C1 MC33225 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.34 FC1=CC(S)=CC(Br)=C1 MC106279 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.69 CC1=C(Br)C=CC(Br)=C1 CS21137 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 CS20166 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.69 CC1=C(Br)C=CC(F)=C1 CS10390 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.69 CC1=C(Br)C=CC(I)=C1 MC33074 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.69 CC1=C(Br)C=CC(N)=C1 CS15448 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.69 CC1=C(Br)C=CC(N)=N1 CS23028 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.69 CC1=C(Br)C=CC(O)=C1 CS20279 [0,1,0,0,0,1|1,1,0]=4 820 B9R1.69 CC1=C(Br)C=CC(O)=N1 CS18359 [0,1,0,0,0,1|1,1,0]=4 821 B9R1.69 CC1=C(C)C=C(Cl)C=C1 MC433525 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.69 CC1=C(C)C=C(N)C=C1 CS20010 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.69 CC1=C(C)C=C(O)C=C1 MC41191 [0,1,0,0,0,1|1,1,0]=4 824 B9R1.69 CC1=C(C)NC(=O)C=C1 MC111283 [0,1,0,0,0,1|1,1,0]=4 825 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 CS19135 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.69 CC1=C(Cl)C=CC(Cl)=C1 MC41516 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.69 CC1=C(Cl)C=CC(I)=C1 CS20194 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.69 CC1=C(Cl)C=CC(N)=C1 MC40892 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.69 CC1=C(Cl)C=CC(O)=C1 MC41173 [0,1,0,0,0,1|1,1,0]=4 830 B9R1.69 CC1=C(Cl)C=CC(O)=N1 MC431924 [0,1,0,0,0,1|1,1,0]=4 831 B9R1.69 CC1=C(F)C=CC(Br)=C1 MC33150 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.69 CC1=C(F)C=CC(Cl)=C1 CS14434 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.69 CC1=C(F)C=CC(F)=C1 CS19928 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.69 CC1=C(F)C=CC(I)=C1 CS10424 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.69 CC1=C(F)C=CC(N)=C1 CS10514 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.69 CC1=C(F)C=CC(N)=N1 MC433033 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.69 CC1=C(F)C=CC(O)=C1 CS10483 [0,1,0,0,0,1|1,1,0]=4 838 B9R1.69 CC1=C(F)C=CC(S)=C1 MC41409 [0,1,0,0,0,1|1,0,0]=3 839 B9R1.69 CC1=C(I)C=CC(=O)N1 CS15056 [0,1,0,0,0,1|1,1,0]=4 840 B9R1.69 CC1=C(I)C=CC(Br)=C1 CS10398 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.69 CC1=C(I)C=CC(F)=C1 MC433024 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.69 CC1=C(I)C=CC(F)=N1 MC433047 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.69 CC1=C(I)C=CC(N)=N1 MC33318 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.69 CC1=C(I)C=CC(O)=C1 CS22901 [0,1,0,0,0,1|1,1,0]=4 845 B9R1.69 CC1=C(N)C=CC(=O)N1 MC425072 [0,1,0,0,0,1|1,1,0]=4 846 B9R1.69 CC1=C(N)C=CC(Br)=C1 CS15106 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.69 CC1=C(N)C=CC(Cl)=C1 CS16371 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.69 CC1=C(N)C=CC(F)=C1 CS10513 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.69 CC1=C(N)C=CC(I)=C1 CS20371 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.69 CC1=C(N)C=CC(N)=C1 CS18566 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.69 CC1=C(N)C=CC(O)=C1 CS14087 [0,1,0,0,0,1|1,1,0]=4 852 B9R1.69 CC1=C(O)C=CC(Br)=C1 MC20395 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.69 CC1=C(O)C=CC(Cl)=C1 CS20290 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.69 CC1=C(O)C=CC(F)=C1 CS10482 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.69 CC1=C(O)C=CC(I)=C1 MC30013 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.69 CC1=C(O)C=CC(N)=C1 MC30012 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.69 CC1=CC(=O)C=CC1=O MC41219 [0,1,0,0,0,1|1,1,0]=4 858 B9R1.69 CC1=CC(Br)=C(Br)C=C1 MC41513 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.69 CC1=CC(Br)=C(C)C=C1 CS21410 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 CS20167 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.69 CC1=CC(Br)=C(F)C=C1 MC20046 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.69 CC1=CC(Br)=C(N)C=C1 CS19777 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.69 CC1=CC(Br)=C(O)C=N1 MC432165 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.69 CC1=CC(C)=C(Br)C=C1 MC41530 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.69 CC1=CC(C)=C(C)C=C1 MC41547 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.69 CC1=CC(C)=C(F)C=C1 MC33141 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.69 CC1=CC(C)=C(N)C=C1 CS20011 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.69 CC1=CC(C)=C(O)C=C1 MC30165 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.69 CC1=CC(C)=C(S)C=C1 MC443880 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.69 CC1=CC(C)=NC=C1Br MC427292 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 CS19979 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.69 CC1=CC(Cl)=C(C)C=C1 MC41534 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 CS21935 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.69 CC1=CC(Cl)=C(F)C=C1 MC433023 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.69 CC1=CC(Cl)=C(I)C=C1 MC41508 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.69 CC1=CC(Cl)=C(N)C=C1 MC20110 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.69 CC1=CC(Cl)=C(O)C=C1 CS20292 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.69 CC1=CC(F)=C(Br)C=C1 CS10392 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.69 CC1=CC(F)=C(C)C=C1 CS13237 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.69 CC1=CC(F)=C(C)C=C1 MC433527 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.69 CC1=CC(F)=C(Cl)C=C1 CS22757 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.69 CC1=CC(F)=C(F)C=C1 CS19897 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.69 CC1=CC(F)=C(N)C=C1 MC40918 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.69 CC1=CC(I)=C(N)C=C1 CS10517 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.69 CC1=CC(I)=C(O)C=C1 MC41201 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.69 CC1=CC(N)=C(Br)C=C1 CS18349 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.69 CC1=CC(N)=C(C)C=C1 MC40905 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.69 CC1=CC(N)=C(Cl)C=C1 CS20365 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.69 CC1=CC(N)=C(F)C=C1 CS10510 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.69 CC1=CC(N)=C(I)C=C1 CS20372 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.69 CC1=CC(O)=C(Br)C=C1 CS16357 [0,1,0,0,0,1|1,1,0]=4 892 B9R1.69 CC1=CC(O)=C(C)C=C1 CS19431 [0,1,0,0,0,1|1,1,0]=4 893 B9R1.69 CC1=CC(O)=C(F)C=C1 MC41196 [0,1,0,0,0,1|1,1,0]=4 894 B9R1.69 CC1=CC(O)=C(N)C=C1 CS14086 [0,1,0,0,0,1|1,1,0]=4 895 B9R1.69 CC1=CC=C(Br)C(Br)=N1 CS14048 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.69 CC1=CC=C(Br)C(C)=N1 CS20363 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 CS13860 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.69 CC1=CC=C(Br)C(F)=N1 MC20350 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.69 CC1=CC=C(Br)C(N)=N1 CS19460 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.69 CC1=CC=C(Br)C(O)=N1 MC443419 [0,1,0,0,0,1|1,1,0]=4 901 B9R1.69 CC1=CC=C(Br)C=C1C MC41529 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.69 CC1=CC=C(C)C(Cl)=N1 CS16816 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.69 CC1=CC=C(C)C(N)=N1 CS16045 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 CS21017 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.69 CC1=CC=C(Cl)N=C1C MC111284 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.69 CC1=CC=C(F)C(Br)=N1 CS14229 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.69 CC1=CC=C(F)C(C)=N1 MC429927 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.69 CC1=CC=C(F)C(Cl)=N1 CS14228 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.69 CC1=CC=C(F)C(F)=N1 MC432593 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.69 CC1=CC=C(F)C(N)=N1 MC432249 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.69 CC1=CC=C(F)C=C1C MC41541 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.69 CC1=CC=C(I)C(N)=N1 CS13037 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.69 CC1=CC=C(N)C(Br)=N1 CS19459 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.69 CC1=CC=C(N)C(C)=N1 CS19572 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.69 CC1=CC=C(N)C(Cl)=N1 CS19471 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.69 CC1=CC=C(N)C(N)=C1 CS21925 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.69 CC1=CC=C(N)C(N)=N1 MC427322 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.69 CC1=CC=C(N)C(N)=N1 MC427509 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.69 CC1=CC=C(N)C(O)=N1 MC33453 [0,1,0,0,0,1|1,1,0]=4 920 B9R1.69 CC1=CC=C(O)C(Br)=N1 CS21385 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.69 CC1=CC=C(O)C(C)=N1 MC41612 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.69 CC1=CC=C(O)C(Cl)=N1 CS21487 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.69 CC1=CC=C(O)C(F)=N1 MC430626 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.69 CC1=CC=C(O)C(I)=N1 CS21614 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.69 CC1=CC=C(O)C(N)=N1 MC431086 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.69 CC1=CC=C(O)C(O)=C1 CS14435 [0,1,0,0,0,1|1,1,0]=4 927 B9R1.69 CC1=CN=C(C)C=C1Br MC107156 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.69 CC1=CN=C(C)C=C1Cl CS15163 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.69 CC1=CN=C(C)C=C1N MC111434 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.69 CC1=CN=C(C)N=C1N CS17171 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.69 CC1=NC(=O)C(N)=CN1 CS17940 [0,1,0,0,0,1|1,1,0]=4 932 B9R1.69 CC1=NC(Br)=CC=C1Br CS19042 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.69 CC1=NC(Br)=CC=C1F CS18998 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.69 CC1=NC(Br)=CC=C1I MC106491 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.69 CC1=NC(Br)=CC=C1N CS13574 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.69 CC1=NC(Br)=CC=C1O CS15297 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.69 CC1=NC(Cl)=CC=C1F CS19395 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.69 CC1=NC(Cl)=CC=C1N CS13794 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.69 CC1=NC(F)=CC=C1Br CS19026 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.69 CC1=NC(I)=CC=C1O MC431760 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.69 CC1=NC(N)=CC=C1N MC427482 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.69 CC1=NC=C(Br)C(=O)N1 CS17891 [0,1,0,0,0,1|1,1,0]=4 943 B9R1.69 CC1=NC=C(Br)C(Cl)=N1 CS14459 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.69 CC1=NC=C(Br)C(O)=N1 CS10273 [0,1,0,0,0,1|1,1,0]=4 945 B9R1.69 CC1=NC=C(Cl)C(N)=C1 MC105902 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.69 CC1=NC=C(F)C(=O)N1 CS14592 [0,1,0,0,0,1|1,1,0]=4 947 B9R1.69 CC1=NC=C(F)C(Br)=C1 CS16271 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.69 CC1=NC=C(F)C(Cl)=C1 MC431999 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.69 CC1=NC=C(F)C(Cl)=N1 CS12957 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.69 CC1=NC=C(N)C(=O)N1 CS14824 [0,1,0,0,0,1|1,1,0]=4 951 B9R1.69 CC1=NC=C(N)C(C)=N1 CS14188 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.69 CC1=NC=C(N)C(Cl)=N1 CS13251 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.69 CC1=NC=C(O)C(C)=N1 CS16008 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.69 CC1=[N+]([O-])C=CC(Br)=C1 MC106090 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.69 CC1=[N+]([O-])C=CC(Cl)=C1 MC106091 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.69 Cc1ccc(Cl)c(C)c1 MC433524 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.69 FC1=C(Cl)C=C(S)C=C1 MC20125 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.69 FC1=C(F)C=C(S)C=C1 MC41406 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.15 BrCC1=C(Br)C=CC=C1 MC20808 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.15 BrCC1=C(I)C=CC=C1 MC40561 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.15 CC1=C(CBr)C=CC=C1 CS14791 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.15 CC1=C(CBr)C=NC=C1 CS17496 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.15 CC1=C(CCl)C=NC=C1 MC104833 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.15 CC1=C(CN)C=CC=C1 MC33216 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.15 CC1=C(CN)C=NC=C1 CS20204 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [0,1,0,0,0,1|1,1,0]=4 967 B9R1.15 CC1=C(NN)C=CC=C1 CS19575 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.15 CC1=C(NN)C=CC=C1 MC20365 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.15 CC1=CC=CC=C1C=O CS19114 [0,1,0,0,0,1|1,1,0]=4 970 B9R1.15 CC1=CC=CN=C1C#N CS20234 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.15 CC1=CC=CN=C1C=O CS14987 [0,1,0,0,0,1|1,1,0]=4 972 B9R1.15 CC1=CC=CN=C1CCl CS15725 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.15 CC1=CC=CN=C1CO CS19225 [0,1,0,0,0,1|1,1,0]=4 974 B9R1.15 CC1=CC=NC=C1C#N CS22253 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.15 CC1=CC=NC=C1C=O MC442433 [0,1,0,0,0,1|1,1,0]=4 976 B9R1.15 CC1=NC=CC=C1CCl MC104832 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.15 CC1=NC=CC=C1CN MC102930 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.15 CC1=NC=CC=C1CO CS20145 [0,1,0,0,0,1|1,1,0]=4 979 B9R1.15 CC1=NC=CN=C1CCl MC104771 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.15 CC1=NC=CN=C1CN MC103464 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.15 CC1=NC=CN=C1NN MC111198 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.15 CCC1=NC=CC=C1Br MC105746 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.15 CCC1=NC=NC=C1F CS19573 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.15 CNC1=C(N)C=NC=C1 MC10330 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.15 CNC1=CC=CC=C1N CS22302 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.15 CNC1=NC=CC=C1Br CS17281 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.15 CNC1=NC=CC=C1Cl MC33482 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.15 CNC1=NC=CC=C1N MC427393 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.15 CNC1=NC=NC=C1Br MC425769 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.15 COC1=C(Br)C=CC=C1 CS19150 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.15 COC1=C(Br)C=NC=C1 CS18491 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [0,1,0,0,0,1|1,1,0]=4 1001 B9R1.15 COC1=C(C)C=NC=C1 MC33476 [0,1,0,0,0,1|1,1,0]=4 1002 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.15 COC1=C(F)C=CC=C1 CS19904 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.15 COC1=C(F)C=NC=C1 CS16194 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.15 COC1=C(I)C=CC=C1 MC41341 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.15 COC1=C(I)C=NC=C1 CS18542 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.15 COC1=C(N)C=CC=C1 CS11812 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.15 COC1=C(N)C=NC=C1 CS18248 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [0,1,0,0,0,1|1,1,0]=4 1012 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [0,1,0,0,0,1|1,1,0]=4 1013 B9R1.15 COC1=CC=CN=C1Br CS19255 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.15 COC1=CC=CN=C1Cl CS19305 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.15 COC1=CC=CN=C1F CS13044 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.15 COC1=CC=CN=C1N CS17216 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.15 COC1=NC=CC=C1Br CS19258 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.15 COC1=NC=CC=C1C MC33438 [0,1,0,0,0,1|1,1,0]=4 1019 B9R1.15 COC1=NC=CC=C1Cl CS18705 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.15 COC1=NC=CC=C1F CS19564 [0,1,0,0,0,1|2,0,0]=4 1021 B9R1.15 COC1=NC=CC=C1I CS13512 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.15 COC1=NC=CC=C1N CS19526 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.15 COC1=NC=CN=C1Br CS12288 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.15 COC1=NC=CN=C1Cl CS14291 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.15 COC1=NC=CN=C1N MC441119 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.15 CSC1=C(Br)C=CN=C1 MC430535 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.15 CSC1=C(I)C=CC=C1 MC433405 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.15 ClC1=C(CBr)C=CC=C1 CS19190 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.15 ClC1=CC=CN=C1CBr MC116292 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.15 ClCC1=C(Cl)C=CC=C1 CS19964 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.15 ClCC1=CC=CC=C1Br MC30029 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.15 FC1=C(CBr)C=CC=C1 CS21562 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.15 FC1=C(CCl)C=CC=C1 MC40597 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.15 FC1=CC=CN=C1CBr MC430869 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.15 FC1=CC=CN=C1CCl MC425766 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.15 FC1=NC=CC=C1CBr MC430634 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.15 FC1=NC=CC=C1CCl MC429652 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.15 NC1=C(CO)C=CC=C1 CS19122 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.15 NC1=NC=CC=C1CO CS13983 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.15 NCC1=C(Br)C=CC=C1 CS19534 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.15 NCC1=C(Br)C=NC=C1 CS17629 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.15 NCC1=C(F)C=CC=C1 MC40826 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.15 NCC1=C(F)C=NC=C1 MC116263 [0,1,0,0,0,1|2,0,0]=4 1045 B9R1.15 NCC1=C(F)C=NC=C1 MC431082 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.15 NCC1=C(N)C=CC=C1 MC40796 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.15 NCC1=C(O)C=CC=C1 CS20889 [0,1,0,0,0,1|1,1,0]=4 1048 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.15 NCC1=NC=CC=C1F MC104008 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.15 NCC1=NC=CC=C1O MC443567 [0,1,0,0,0,1|1,1,0]=4 1051 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.15 OCC1=C(Br)C=CC=C1 CS18828 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.15 OCC1=C(Br)C=NC=C1 CS12881 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.15 OCC1=C(Cl)C=CC=C1 CS21494 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.15 OCC1=C(Cl)C=CN=C1 CS17105 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.15 OCC1=C(F)C=CC=C1 MC33139 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.15 OCC1=C(I)C=CC=C1 CS19102 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.15 OCC1=C(O)C=CC=C1 CS16243 [0,1,0,0,0,1|1,1,0]=4 1060 B9R1.15 OCC1=CC=CN=C1Cl CS14328 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.15 OCC1=CC=CN=C1F CS18697 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.15 OCC1=NC=CC=C1Br MC431297 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.15 OCC1=NC=CC=C1Br MC431298 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.15 OCC1=NC=CC=C1Cl CS17318 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.15 OCC1=NC=CC=C1F MC430870 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.15 OCC1=NC=CC=C1O MC20200 [0,1,0,0,0,1|1,1,0]=4 1067 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.22 CC1=C(CCl)OC(=O)O1 CS17711 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.22 CC1=C(CO)OC(=O)O1 CS15068 [0,2,0,0,0,0|1,1,0]=4 1070 B9R1.22 CC1=CC(C#N)=C(C)N1 MC427285 [0,2,0,0,0,0|2,0,0]=4 1071 B9R1.27 CC1=NOC(C)=C1C=O CS23035 [0,2,0,0,0,0|1,1,0]=4 1072 B9R1.27 CC1=NOC(C)=C1CCl CS19517 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.33 CCOC1=C(C)N=CO1 MC20466 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,2,0,0,0,0|1,1,0]=4 1075 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,2,0,0,0,0|1,1,0]=4 1076 B9R1.41 CC1=C(B(O)O)C=CS1 MC428308 [0,2,0,0,0,0|0,2,0]=4 1077 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,2,0,0,0,0|0,1,0]=3 1078 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,2,0,0,0,0|0,2,0]=4 1079 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [0,2,0,0,0,0|1,1,0]=4 1080 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,2,0,0,0,0|1,1,0]=4 1081 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,2,0,0,0,0|0,1,1]=4 1082 B9R1.37 CC1=C(C)C(=O)OC1=O CS21049 [0,2,0,0,0,0|2,0,0]=4 1083 B9R1.37 CC1=C(C)C(I)=C(C)S1 MC425074 [0,2,0,0,0,0|1,1,0]=4 1084 B7R1.3 CC1=CC=CN=C1 MC107850 [0,0,1,1,0,0|2,0,0]=4 1085 B7R1.3 CC1=NC=CC=C1 MC41623 [0,0,1,1,0,0|2,0,0]=4 1086 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [0,0,0,1,0,1|2,0,0]=4 1087 B9R2.3 C1=CC2=C(C=CS2)S1 CS19885 [0,1,0,1,0,0|0,1,1]=4