0 B7R1.1 BrCC1=CC=CS1 MC111260 [0,0,0,0,0,0|1,1,1]=3 1 B7R1.1 BrCC1=CC=NO1 MC114075 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.1 BrCC1=COC=C1 MC111404 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 BrCC1=NC=CO1 MC106296 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.1 BrCC1=NC=CS1 CS12090 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.1 Br[Zn]c1cccs1 MC121347 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.1 Br[Zn]c1nccs1 MC121340 [0,0,0,0,0,0|3,1,0]=4 7 B7R1.1 C=CN1C=CN=C1 MC20497 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 CCC1=NC=CN1 CS21533 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 CCN1C=CC=N1 CS20681 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 CNC1=NC=CS1 CS12598 [0,0,0,0,0,0|3,1,0]=4 11 B7R1.1 COC1=CSC=C1 CS22351 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 COC1=NC=CS1 CS22597 [0,0,0,0,0,0|3,1,0]=4 13 B7R1.1 CSC1=NC=CO1 CS17723 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 ClCC1=CC=CO1 CS13429 [0,0,0,0,0,0|1,0,1]=2 15 B7R1.1 ClCC1=CN=CO1 MC105780 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 ClCC1=CN=CO1 MC114644 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.1 ClCC1=CN=CS1 CS16156 [0,0,0,0,0,0|2,1,1]=4 18 B7R1.1 ClCC1=COC=N1 MC113786 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 ClCC1=NC=CN1 CS20896 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 ClCC1=NNC=C1 MC442276 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 I[Zn]c1ccsc1 MC116065 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 N#CC1=CC=CS1 CS22701 [0,0,0,0,0,0|1,1,1]=3 23 B7R1.1 N#CC1=CC=NO1 CS17495 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.1 N#CC1=CN=CS1 CS12489 [0,0,0,0,0,0|2,1,1]=4 25 B7R1.1 N#CC1=CNC=N1 CS20707 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=COC=N1 CS18363 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=CSC=C1 CS17418 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 N#CC1=NC=CS1 CS12219 [0,0,0,0,0,0|2,1,1]=4 29 B7R1.1 N#CC1=NNC=C1 CS20722 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.1 NCC1=CC=CN1 CS14874 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.1 NCC1=CC=CO1 MC41689 [0,0,0,0,0,0|1,0,1]=2 32 B7R1.1 NCC1=CC=CS1 CS22783 [0,0,0,0,0,0|1,1,1]=3 33 B7R1.1 NCC1=CN=CO1 CS17502 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.1 NCC1=CN=CO1 CS18508 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.1 NCC1=CN=CO1 MC104477 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.1 NCC1=CNC=N1 CS15263 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 NCC1=CNC=N1 CS16828 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.1 NCC1=CSC=C1 CS22417 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 NCC1=CSC=N1 MC116268 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.1 NCC1=NC=CS1 MC444202 [0,0,0,0,0,0|2,1,1]=4 41 B7R1.1 NCC1=NN=CO1 MC103312 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.1 NCC1=NNC=C1 CS15493 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.1 NCC1=NSC=C1 MC105065 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.1 NCc1cocn1 MC102412 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.1 O=CC1=CC=CN1 CS17764 [0,0,0,0,0,0|1,0,0]=1 46 B7R1.1 O=CC1=CC=CN1 MC434011 [0,0,0,0,0,0|1,0,0]=1 47 B7R1.1 O=CC1=CC=CO1 MC41686 [0,0,0,0,0,0|0,0,0]=0 48 B7R1.1 O=CC1=CC=CS1 CS16400 [0,0,0,0,0,0|0,1,0]=1 49 B7R1.1 O=CC1=CCCC1 CS12865 [0,0,0,0,0,0|1,0,2]=3 50 B7R1.1 O=CC1=CN=CO1 MC100355 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.1 O=CC1=CN=CS1 CS15582 [0,0,0,0,0,0|1,1,0]=2 52 B7R1.1 O=CC1=CNC=C1 CS20728 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 O=CC1=CNC=N1 CS14113 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 O=CC1=CNN=C1 CS17644 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.1 O=CC1=CNN=C1 CS18258 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.1 O=CC1=CNN=N1 MC114304 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.1 O=CC1=CSC=C1 CS14553 [0,0,0,0,0,0|2,0,0]=2 58 B7R1.1 O=CC1=CSC=N1 MC33021 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.1 O=CC1=NC=CN1 CS15723 [0,0,0,0,0,0|2,0,0]=2 60 B7R1.1 O=CC1=NNC=C1 CS18284 [0,0,0,0,0,0|2,0,0]=2 61 B7R1.1 OCC1=CC=CO1 MC41687 [0,0,0,0,0,0|0,0,2]=2 62 B7R1.1 OCC1=CC=NO1 CS15343 [0,0,0,0,0,0|1,0,2]=3 63 B7R1.1 OCC1=CN=CS1 CS16191 [0,0,0,0,0,0|1,1,2]=4 64 B7R1.1 OCC1=COC=C1 CS22303 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.1 OCC1=CSC=C1 CS18039 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.1 OCC1=CSC=N1 CS22892 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.1 OCC1=NC=CS1 MC113802 [0,0,0,0,0,0|1,1,2]=4 68 B7R1.1 OCN1C=CC=N1 CS11902 [0,0,0,0,0,0|2,0,2]=4 69 B6R1.2 BrC1=CC=CS1 CS21414 [1,0,0,0,0,0|1,1,0]=3 70 B6R1.2 BrC1=CC=C[Se]1 MC114898 [1,0,0,0,0,0|1,1,0]=3 71 B6R1.2 BrC1=CC=NN1 CS17757 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 BrC1=CN=CO1 MC105695 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 BrC1=CN=CS1 CS14114 [1,0,0,0,0,0|2,1,0]=4 74 B6R1.2 BrC1=CNC=N1 CS14270 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 BrC1=CSC=C1 CS21415 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 BrC1=CSC=N1 MC20197 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 BrC1=NC=CN1 CS19858 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 BrC1=NC=CO1 MC104314 [1,0,0,0,0,0|2,0,0]=3 80 B6R1.2 BrC1=NC=CS1 CS14242 [1,0,0,0,0,0|2,1,0]=4 81 B6R1.2 BrC1=NNC=C1 CS19717 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 BrC1=NSC=C1 CS11529 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,0,0|1,0,1]=3 85 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,0,0|0,0,1]=2 86 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,0,0|0,1,1]=3 87 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 CC1=CN=CS1 CS10460 [1,0,0,0,0,0|1,1,1]=4 89 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.2 CC1=CNC=N1 MC20397 [1,0,0,0,0,0|2,0,1]=4 91 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 CC1=CSC=N1 CS15621 [1,0,0,0,0,0|2,0,1]=4 93 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,0,0,0|1,0,1]=3 94 B6R1.2 CC1=NC=CS1 CS22598 [1,0,0,0,0,0|1,1,1]=4 95 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 CN1C=CC=C1 CS20770 [1,0,0,0,0,0|2,0,1]=4 99 B6R1.2 CN1C=CC=N1 CS19419 [1,0,0,0,0,0|2,0,1]=4 100 B6R1.2 ClC1=CC=NN1 CS16937 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 ClC1=CN=CN1 CS10347 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 ClC1=CSC=N1 CS14317 [1,0,0,0,0,0|3,0,0]=4 103 B6R1.2 ClC1=NC=CO1 MC106420 [1,0,0,0,0,0|2,0,0]=3 104 B6R1.2 ClC1=NNC=C1 MC103128 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 FC1=CC=NN1 MC104307 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 FC1=CN=CN1 MC429981 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 FC1=NC=CN1 MC430938 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 FC1=NC=CN1 MC431135 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 IC1=CC=CS1 CS21616 [1,0,0,0,0,0|1,1,0]=3 110 B6R1.2 IC1=CN=CS1 MC441132 [1,0,0,0,0,0|2,1,0]=4 111 B6R1.2 IC1=CNC=N1 CS14306 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 IC1=CSC=C1 CS22332 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 IC1=NC=CN1 CS21881 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 IC1=NC=CO1 MC103755 [1,0,0,0,0,0|2,0,0]=3 115 B6R1.2 IC1=NNC=C1 CS13669 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 NC1=CC=NS1 MC20989 [1,0,0,0,0,0|2,1,0]=4 117 B6R1.2 NC1=CNC=N1 CS16117 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 NC1=COC=N1 MC121309 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 NC1=CSC=C1 CS12280 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 NC1=CSC=N1 MC106910 [1,0,0,0,0,0|3,0,0]=4 121 B6R1.2 NC1=CSC=N1 MC121317 [1,0,0,0,0,0|3,0,0]=4 122 B6R1.2 NC1=NC=CN1 CS13716 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 NC1=NC=CN1 CS16946 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 NC1=NC=CO1 CS19070 [1,0,0,0,0,0|2,0,0]=3 125 B6R1.2 NC1=NC=CS1 CS16381 [1,0,0,0,0,0|2,1,0]=4 126 B6R1.2 NC1=NNC=C1 CS22527 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,0,0,0|3,0,0]=4 128 B6R1.2 NN1C=CC=C1 MC10332 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 NN1C=CC=N1 MC105737 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,0,0,0|2,0,0]=3 131 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,0,0,0|2,0,0]=3 132 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,0,0,0|2,0,0]=3 133 B6R1.2 O=C1CC=NN1 CS20496 [1,0,0,0,0,0|2,0,1]=4 134 B6R1.2 O=C1NC=CN1 MC20853 [1,0,0,0,0,0|2,0,0]=3 135 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,0,0,0|1,0,2]=4 136 B6R1.2 OC1=NC=CS1 CS12100 [1,0,0,0,0,0|1,1,1]=4 137 B6R1.2 ON1C=CC=N1 CS12818 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.1 BrCC1=CC(Br)=CS1 MC107253 [0,1,0,0,0,0|1,1,1]=4 139 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [0,1,0,0,0,0|2,1,0]=4 140 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [0,1,0,0,0,0|1,1,1]=4 141 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,1,0,0,0,0|0,1,0]=2 145 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,0,0,0|0,0,0]=1 147 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,1,0,0,0,0|1,1,0]=3 150 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,1,0,0,0,0|1,1,0]=3 152 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 COC1=CC(N)=NO1 CS18977 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,1,0,0,0,0|1,1,1]=4 156 B8R1.1 N#CC1=CC(Cl)=CN1 MC115459 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [0,1,0,0,0,0|1,1,1]=4 159 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [0,1,0,0,0,0|1,1,1]=4 160 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [0,1,0,0,0,0|1,1,0]=3 161 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,1,0,0,0,0|1,0,1]=3 162 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.1 NCc1ccc(F)s1 MC102141 [0,1,0,0,0,0|1,1,1]=4 164 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,0,0,0|0,0,3]=4 165 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [0,1,0,0,0,0|0,0,0]=1 167 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [0,1,0,0,0,0|0,1,0]=2 168 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [0,1,0,0,0,0|0,1,0]=2 170 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [0,1,0,0,0,0|0,1,0]=2 171 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,1,0,0,0,0|0,1,0]=2 172 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,1,0,0,0,0|0,0,0]=1 173 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [0,1,0,0,0,0|1,1,0]=3 176 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [0,1,0,0,0,0|1,1,0]=3 177 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [0,1,0,0,0,0|1,1,0]=3 178 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [0,1,0,0,0,0|1,1,0]=3 179 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [0,1,0,0,0,0|0,1,2]=4 180 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,1,0,0,0,0|0,0,2]=3 181 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,1,0,0,0,0|0,1,2]=4 182 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,1,0,0,0,0|0,0,0]=1 183 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,1,0,0,0,0|0,1,0]=2 184 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [0,1,0,0,0,0|2,1,0]=4 186 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,1,0,0,0,0|1,1,0]=3 191 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,1,0,0,0,0|1,0,1]=3 195 B8R1.7 N=C(N)C1=NC=CN1 MC102406 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [0,1,0,0,0,0|2,1,0]=4 197 B8R1.7 N=C(N)N1C=CC=N1 CS20721 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.7 NC(=O)C1C=CCN1 MC436936 [0,1,0,0,0,0|1,0,2]=4 202 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,1,0,0,0,0|1,0,2]=4 203 B8R1.7 NC(=S)C1=CN=CS1 MC113938 [0,1,0,0,0,0|1,2,0]=4 204 B8R1.7 NC(=S)C1=CNC=N1 MC111230 [0,1,0,0,0,0|2,1,0]=4 205 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,1,0,0,0,0|0,0,0]=1 208 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,1,0,0,0,0|0,1,0]=2 209 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,1,0,0,0,0|1,0,0]=2 210 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,1,0,0,0,0|1,1,0]=3 211 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,1,0,0,0,0|1,0,0]=2 223 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,1,0,0,0,0|1,1,0]=3 224 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,1,0,0,0,0|1,0,2]=4 229 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,1,0,0,0,0|1,0,2]=4 230 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.7 O=[N+]([O-])C1=CC=NN1 CS19890 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.7 O=[N+]([O-])C1=CN=CN1 CS22016 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.7 O=[N+]([O-])C1=CNC=C1 CS22386 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.7 O=[N+]([O-])C1=NC=CN1 CS14315 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.7 OB(O)C1=CC=CN1 MC113759 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.7 OB(O)C1=CC=CO1 CS22587 [0,1,0,0,0,0|1,0,1]=3 237 B8R1.7 OB(O)C1=CC=CS1 CS22584 [0,1,0,0,0,0|1,1,1]=4 238 B8R1.8 N#CCC1=CC=CS1 CS22998 [0,1,0,0,0,0|1,1,1]=4 239 B8R1.8 NNCC1=CC=CS1 MC104512 [0,1,0,0,0,0|1,1,1]=4 240 B8R1.8 O=CCC1=CC=CS1 CS17423 [0,1,0,0,0,0|0,1,0]=2 241 B8R1.8 OCCC1=CC=CS1 CS14939 [0,1,0,0,0,0|0,1,2]=4 242 B8R1.11 Br[Zn]c1sccc1Br MC121354 [0,1,0,0,0,0|2,1,0]=4 243 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [0,1,0,0,0,0|2,0,1]=4 244 B8R1.11 CC1=NNC=C1C=O CS22355 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.11 CN1C=CN=C1C=O CS17882 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.11 CN1N=CC=C1C=O CS18205 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.11 CN1N=CN=C1C=O MC106469 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 CN1N=NC=C1C=O MC107582 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.11 N#CC1=C(Br)C=CS1 CS22192 [0,1,0,0,0,0|1,1,1]=4 250 B8R1.11 N#CC1=C(Cl)C=CS1 MC442674 [0,1,0,0,0,0|1,1,1]=4 251 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [0,1,0,0,0,0|0,1,0]=2 252 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [0,1,0,0,0,0|1,1,1]=4 253 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [0,1,0,0,0,0|0,1,0]=2 255 B8R1.11 O=CC1=C(Br)N=CS1 CS15329 [0,1,0,0,0,0|1,1,0]=3 256 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [0,1,0,0,0,0|1,0,0]=2 258 B8R1.11 O=CC1=C(Cl)N=CS1 CS22797 [0,1,0,0,0,0|1,1,0]=3 259 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [0,1,0,0,0,0|0,1,0]=2 261 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.11 O=CC1=CSC=C1Br MC441264 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.11 OCC1=C(F)C=CS1 MC429391 [0,1,0,0,0,0|0,1,2]=4 264 B8R1.2 BrCC1=CC=CN=N1 CS15758 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.2 BrCC1=CC=NC=C1 CS22459 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.2 BrCC1=CC=NC=C1 MC111773 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.2 BrCC1=NC=CC=N1 MC110628 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.2 BrCC1=NC=CN=C1 MC115921 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.2 Br[Mg]c1cccnc1 MC121318 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.2 Br[Zn]c1ccccn1 MC121328 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 Br[Zn]c1cccnc1 MC121329 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.2 Br[Zn]c1ncccn1 MC116064 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.2 C#CC1=CC=CC=C1 CS19127 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.2 C#CC1=CC=CN=N1 MC102367 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.2 C#CC1=CC=NC=C1 CS22825 [0,0,0,0,0,1|2,0,1]=4 276 B8R1.2 C#CC1=NC=CC=C1 CS21539 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.2 C#CC1=NC=CC=N1 CS12611 [0,0,0,0,0,1|2,0,1]=4 278 B8R1.2 C#CC1=NC=CN=C1 MC104763 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,0,0,0,0,1|2,0,1]=4 280 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,0,0,0,0,1|2,0,1]=4 282 B8R1.2 CNC1=CC=CC=C1 CS11792 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.2 CNC1=CC=CN=C1 CS13856 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.2 CNC1=CC=NC=C1 MC41620 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.2 COC1=CC=CC=C1 MC41309 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.2 COC1=CC=CN=C1 CS22348 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.2 COC1=CC=CN=N1 CS22347 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.2 COC1=CC=NC=C1 CS19206 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.2 COC1=NC=CC=C1 CS18780 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.2 COC1=NC=CN=C1 CS17887 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.2 CSC1=CC=CC=C1 MC439137 [0,0,0,0,0,1|3,0,0]=4 292 B8R1.2 CSC1=NC=CC=C1 MC41628 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.2 ClCC1=CC=CN=C1 CS19291 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.2 ClCC1=CC=CN=N1 CS16004 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.2 ClCC1=CC=CN=N1 MC112985 [0,0,0,0,0,1|2,0,1]=4 296 B8R1.2 ClCC1=NC=CC=C1 CS19289 [0,0,0,0,0,1|2,0,1]=4 297 B8R1.2 ClCC1=NC=CC=N1 CS20902 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.2 ClCC1=NC=CN=C1 MC444156 [0,0,0,0,0,1|2,0,1]=4 299 B8R1.2 ICC1=CC=CC=C1 CS11000 [0,0,0,0,0,1|2,0,1]=4 300 B8R1.2 ICC1=CC=CN=C1 MC430640 [0,0,0,0,0,1|2,0,1]=4 301 B8R1.2 I[Zn]c1ccccc1 MC121332 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 N#CC1=CC=CC=C1 MC40623 [0,0,0,0,0,1|2,0,1]=4 303 B8R1.2 N#CC1=CC=CN=N1 MC444570 [0,0,0,0,0,1|2,0,1]=4 304 B8R1.2 N#CC1=CC=NC=C1 MC427074 [0,0,0,0,0,1|2,0,1]=4 305 B8R1.2 N#CC1=CN=CC=C1 CS22263 [0,0,0,0,0,1|2,0,1]=4 306 B8R1.2 N#CC1=NC=CC=C1 CS19642 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.2 N#CC1=NC=CC=N1 CS17385 [0,0,0,0,0,1|2,0,1]=4 308 B8R1.2 N#CC1=NC=CN=C1 CS17380 [0,0,0,0,0,1|2,0,1]=4 309 B8R1.2 N#CC1=NC=NC=C1 CS12430 [0,0,0,0,0,1|2,0,1]=4 310 B8R1.2 N#Cc1ccccc1 CS13696 [0,0,0,0,0,1|2,0,1]=4 311 B8R1.2 NCC1=CC=CC=C1 MC40797 [0,0,0,0,0,1|2,0,1]=4 312 B8R1.2 NCC1=CC=CN=C1 CS14226 [0,0,0,0,0,1|2,0,1]=4 313 B8R1.2 NCC1=CC=CN=N1 MC444234 [0,0,0,0,0,1|2,0,1]=4 314 B8R1.2 NCC1=CC=NC=C1 CS11906 [0,0,0,0,0,1|2,0,1]=4 315 B8R1.2 NCC1=CC=NC=C1 CS19023 [0,0,0,0,0,1|2,0,1]=4 316 B8R1.2 NCC1=NC=CC=N1 CS21304 [0,0,0,0,0,1|2,0,1]=4 317 B8R1.2 NCC1=NC=CC=N1 MC425460 [0,0,0,0,0,1|2,0,1]=4 318 B8R1.2 NCC1=NC=CN=C1 CS19691 [0,0,0,0,0,1|2,0,1]=4 319 B8R1.2 NCC1=NC=CN=C1 CS20245 [0,0,0,0,0,1|2,0,1]=4 320 B8R1.2 NCC1=NC=NC=C1 MC444325 [0,0,0,0,0,1|2,0,1]=4 321 B8R1.2 NNC1=CC=CC=C1 CS15210 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.2 NNC1=CC=CC=C1 MC427075 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.2 NNC1=CC=CN=C1 CS15491 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.2 NNC1=CC=CN=C1 CS22308 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.2 NNC1=CC=NC=C1 MC20777 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.2 NNC1=NC=CC=C1 CS15589 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.2 NNC1=NC=CC=C1 CS21573 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.2 NNC1=NC=CC=N1 MC425172 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.2 NNC1=NC=CN=C1 MC444188 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.2 O=CC1=CC=CN=N1 MC121079 [0,0,0,0,0,1|1,0,0]=2 331 B8R1.2 O=CC1=CCCOC1 CS10171 [0,0,0,0,0,1|0,0,2]=3 332 B8R1.2 O=CC1=CN=CC=C1 CS19090 [0,0,0,0,0,1|1,0,0]=2 333 B8R1.2 O=CC1=CN=CN=C1 CS19643 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.2 O=CC1=CN=NC=C1 MC444362 [0,0,0,0,0,1|2,0,0]=3 335 B8R1.2 O=CC1=NC=CC=C1 CS18610 [0,0,0,0,0,1|1,0,0]=2 336 B8R1.2 O=CC1=NC=CC=N1 MC444571 [0,0,0,0,0,1|1,0,0]=2 337 B8R1.2 O=CC1=NC=CN=C1 CS18375 [0,0,0,0,0,1|1,0,0]=2 338 B8R1.2 O=NC1=CC=CC=C1 MC33163 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.2 OCC1=CC=CC=C1 MC40684 [0,0,0,0,0,1|1,0,2]=4 340 B8R1.2 OCC1=CC=CN=C1 CS22409 [0,0,0,0,0,1|1,0,2]=4 341 B8R1.2 OCC1=CC=CN=N1 CS21870 [0,0,0,0,0,1|1,0,2]=4 342 B8R1.2 OCC1=CC=NC=C1 CS19163 [0,0,0,0,0,1|1,0,2]=4 343 B8R1.2 OCC1=NC=CC=C1 CS19164 [0,0,0,0,0,1|1,0,2]=4 344 B8R1.2 OCC1=NC=CC=N1 CS19924 [0,0,0,0,0,1|1,0,2]=4 345 B8R1.2 OCC1=NC=CN=C1 CS21749 [0,0,0,0,0,1|1,0,2]=4 346 B8R1.2 OCC1=NC=NC=C1 CS11915 [0,0,0,0,0,1|1,0,2]=4 347 B8R1.2 SCC1=NC=CN=C1 MC110936 [0,0,0,0,0,1|1,1,1]=4 348 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,1,0,0,0|0,0,1]=3 349 B5R1.1 C1=CNC=C1 MC20798 [2,0,0,0,0,0|1,0,0]=3 350 B5R1.1 C1=CNC=N1 CS19767 [2,0,0,0,0,0|2,0,0]=4 351 B5R1.1 C1=CNN=C1 CS18933 [2,0,0,0,0,0|2,0,0]=4 352 B5R1.1 C1=CON=C1 MC20462 [2,0,0,0,0,0|1,0,0]=3 353 B5R1.1 C1=CSC=C1 MC41709 [2,0,0,0,0,0|0,1,0]=3 354 B5R1.1 C1=CSC=N1 MC425154 [2,0,0,0,0,0|1,1,0]=4 355 B5R1.1 C1=CSN=C1 MC20995 [2,0,0,0,0,0|1,1,0]=4 356 B5R1.1 C1=C[CH-]C=C1 MC21078 [2,0,0,0,0,0|1,0,0]=3 357 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,1,1,0,0,0|1,0,0]=3 358 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,1,0,0,0,0|1,1,0]=4 359 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [1,1,0,0,0,0|1,1,0]=4 360 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,1,0,0,0,0|1,0,1]=4 361 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,1,0,0,0,0|0,0,2]=4 362 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,1,0,0,0,0|0,1,1]=4 364 B7R1.2 CC1=CC(Br)=NO1 MC113406 [1,1,0,0,0,0|1,0,1]=4 365 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,1,0,0,0,0|1,0,1]=4 366 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,1,0,0,0,0|0,1,1]=4 367 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,1,0,0,0,0|1,0,1]=4 368 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,1,0,0,0,0|1,1,0]=4 370 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,1,0,0,0,0|1,1,0]=4 371 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.2 CC1=NOC(N)=C1 CS16239 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,1,0,0,0,0|1,1,0]=4 376 B7R1.2 FC1=CSC(Br)=C1 MC430931 [1,1,0,0,0,0|1,1,0]=4 377 B7R1.2 NC1=CC(=O)NN1 CS13152 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [1,1,0,0,0,0|1,1,0]=4 379 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [1,1,0,0,0,0|1,1,0]=4 380 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [1,1,0,0,0,0|1,1,0]=4 381 B7R1.2 O=C1C=C(Br)CN1 MC431199 [1,1,0,0,0,0|1,0,1]=4 382 B7R1.2 O=C1C=C(Br)CN1 MC431360 [1,1,0,0,0,0|1,0,1]=4 383 B7R1.2 O=C1NOC(=O)N1 MC115169 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.4 BrC1=C(Br)SC=C1 CS22551 [1,1,0,0,0,0|1,1,0]=4 385 B7R1.4 BrC1=C(I)C=CS1 MC113889 [1,1,0,0,0,0|1,1,0]=4 386 B7R1.4 BrC1=C(I)SC=C1 MC431562 [1,1,0,0,0,0|1,1,0]=4 387 B7R1.4 CC1=C(Br)SC=C1 CS13700 [1,1,0,0,0,0|1,1,0]=4 388 B7R1.4 ClC1=C(Br)C=CS1 CS22555 [1,1,0,0,0,0|1,1,0]=4 389 B7R1.4 ClC1=C(Br)SC=C1 MC442573 [1,1,0,0,0,0|1,1,0]=4 390 B7R1.4 O=C1CCC=C1O CS14654 [1,1,0,0,0,0|1,0,1]=4 391 B7R1.14 O=S1(=O)C=CCO1 CS13255 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 C=CC1=CN=C(Br)C=C1 MC442257 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 C=CC1=NC=C(Br)C=N1 MC431909 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.1 NC1=NC=C(C=O)C=N1 CS16976 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 NC1=NC=C(C=O)C=N1 CS19828 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [0,1,0,0,0,1|1,0,0]=3 407 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.1 O=CC1=CC=C(Cl)N=N1 MC444424 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [0,1,0,0,0,1|1,0,0]=3 411 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.1 O=CC1=CN=C(Cl)N=C1 CS12216 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.1 O=CC1=NC=C(Br)C=N1 MC113781 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [0,1,0,0,0,1|1,0,0]=3 420 B9R1.1 O=CC1=NC=C(Cl)C=N1 MC104699 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [0,1,0,0,0,1|1,0,0]=3 422 B9R1.1 O=CC1=NC=C(F)C=N1 MC103702 [0,1,0,0,0,1|1,0,0]=3 423 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [0,1,0,0,0,1|1,0,0]=3 424 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,1,0,0,0,1|1,0,0]=3 425 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,1,0,0,0,1|1,0,0]=3 426 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,1,0,0,0,1|1,0,0]=3 427 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,1,0,0,0,1|1,0,0]=3 429 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [0,1,0,0,0,1|1,0,0]=3 432 B9R1.2 NC1=NC=CC(C=O)=C1 CS18505 [0,1,0,0,0,1|1,0,0]=3 433 B9R1.2 NC1=NC=CC(C=O)=C1 MC103369 [0,1,0,0,0,1|1,0,0]=3 434 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [0,1,0,0,0,1|1,0,0]=3 435 B9R1.2 O=CC1=CC(Br)=NC=C1 CS18783 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [0,1,0,0,0,1|1,0,0]=3 437 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.2 O=CC1=CC(F)=NC=C1 MC431324 [0,1,0,0,0,1|1,0,0]=3 439 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [0,1,0,0,0,1|1,0,0]=3 441 B9R1.2 O=CC1=CC=C[N+]([O-])=C1 CS17137 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.2 O=CC1=NC(Cl)=NC=C1 MC104746 [0,1,0,0,0,1|1,0,0]=3 449 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [0,1,0,0,0,1|1,0,0]=3 450 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [0,1,0,0,0,1|1,0,0]=3 453 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,1,0,0,0,1|1,0,0]=3 456 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,1,0,0,0,1|1,0,0]=3 457 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,1,0,0,0,1|1,0,0]=3 462 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.6 N=C(N)C1=NC=CC=N1 CS21214 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,1,0,0,0,1|1,0,0]=3 472 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,1,0,0,0,1|1,0,0]=3 473 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,1,0,0,0,1|1,0,0]=3 474 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,1,0,0,0,1|1,0,0]=3 475 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,1,0,0,0,1|1,1,0]=4 476 B9R1.6 NC(=S)C1=CC=CN=N1 CS16975 [0,1,0,0,0,1|1,1,0]=4 477 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,1,0,0,0,1|1,0,0]=3 485 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,1,0,0,0,1|1,0,0]=3 486 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.6 O=C([O-])C1CCC=CO1 MC115190 [0,1,0,0,0,1|0,0,2]=4 489 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [0,1,0,0,0,1|1,0,1]=4 492 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [0,1,0,0,0,1|1,0,0]=3 493 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [0,1,0,0,0,1|1,0,0]=3 494 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [0,1,0,0,0,1|1,0,0]=3 495 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.8 O=COC1=CC=CC=C1 MC40136 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.8 O=NNC1=NC=CN=C1 MC34139 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 C=CC1=C(Br)C=CC=C1 CS18853 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 C=CC1=C(Cl)C=CC=C1 CS19873 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 C=CC1=CC=CN=C1N MC103094 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 CC1=CC=CC=C1C=O CS19114 [0,1,0,0,0,1|1,0,0]=3 502 B9R1.15 CC1=CC=CN=C1C=O CS14987 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.15 CC1=CC=NC=C1C=O MC442433 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.15 NC1=C(C=O)C=CC=C1 MC20756 [0,1,0,0,0,1|1,0,0]=3 505 B9R1.15 NC1=C(C=O)C=CC=N1 CS19340 [0,1,0,0,0,1|1,0,0]=3 506 B9R1.15 NC1=C(C=O)C=CN=C1 CS14976 [0,1,0,0,0,1|1,0,0]=3 507 B9R1.15 NC1=CC=NC=C1C=O CS19349 [0,1,0,0,0,1|1,0,0]=3 508 B9R1.15 NC1=NC=CN=C1C=O CS13122 [0,1,0,0,0,1|1,0,0]=3 509 B9R1.15 O=CC1=C(Br)C=CC=C1 CS19251 [0,1,0,0,0,1|1,0,0]=3 510 B9R1.15 O=CC1=C(Br)C=NC=C1 CS15669 [0,1,0,0,0,1|1,0,0]=3 511 B9R1.15 O=CC1=C(Br)N=CC=C1 CS17915 [0,1,0,0,0,1|1,0,0]=3 512 B9R1.15 O=CC1=C(Cl)C=CN=C1 MC425655 [0,1,0,0,0,1|1,0,0]=3 513 B9R1.15 O=CC1=C(Cl)C=NC=C1 CS15780 [0,1,0,0,0,1|1,0,0]=3 514 B9R1.15 O=CC1=C(Cl)N=CC=C1 CS14208 [0,1,0,0,0,1|1,0,0]=3 515 B9R1.15 O=CC1=C(F)C=CC=C1 CS21560 [0,1,0,0,0,1|1,0,0]=3 516 B9R1.15 O=CC1=C(F)N=CC=C1 CS18263 [0,1,0,0,0,1|1,0,0]=3 517 B9R1.15 O=CC1=C(I)C=CC=C1 CS20131 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.15 O=CC1=C(O)C=CC=C1 MC41121 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.15 O=CC1=C(O)C=NC=C1 CS13859 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.15 O=CC1=C(O)N=CC=C1 CS19011 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.15 O=CC1=CN=CC=C1Br MC429512 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.15 O=CC1=CN=CC=C1O CS15926 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.15 O=CC1=CNC=CC1=O CS17898 [0,1,0,0,0,1|1,0,0]=3 524 B9R1.15 O=CC1=NC=CC=C1Br MC442737 [0,1,0,0,0,1|1,0,0]=3 525 B9R1.15 O=CC1=NC=CC=C1F CS14128 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.15 O=CC1=NC=CC=C1O MC443215 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.15 O=CC1=NC=CN=C1Cl MC103025 [0,1,0,0,0,1|1,0,0]=3 528 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [0,2,0,0,0,0|0,0,1]=3 529 B9R1.7 O=CCC1=NC=C(Br)S1 MC104142 [0,2,0,0,0,0|1,1,0]=4 530 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [0,2,0,0,0,0|1,1,0]=4 532 B9R1.21 COC1=NC=C(C=O)S1 MC443812 [0,2,0,0,0,0|1,1,0]=4 533 B9R1.21 N#CC1=CC=C(C=O)S1 CS10362 [0,2,0,0,0,0|0,1,0]=3 534 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,2,0,0,0,0|0,0,0]=2 535 B9R1.21 O=CC1=CC=C(C=O)S1 MC445785 [0,2,0,0,0,0|0,1,0]=3 536 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,2,0,0,0,0|0,0,0]=2 538 B9R1.21 O=CC1=CSC(C=O)=C1 CS17580 [0,2,0,0,0,0|0,1,0]=3 539 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [0,2,0,0,0,0|0,0,2]=4 540 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.22 CC1=NC(C)=C(C=O)N1 MC427470 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.22 CN1C=C(Br)N=C1C=O MC111411 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.22 NC1=NC(Cl)=C(C=O)S1 CS18473 [0,2,0,0,0,0|1,1,0]=4 545 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 CS16290 [0,2,0,0,0,0|1,1,0]=4 546 B9R1.22 O=CC1=C(Cl)NC(=O)S1 MC30313 [0,2,0,0,0,0|1,1,0]=4 547 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,2,0,0,0,0|0,1,0]=3 549 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,2,0,0,0,0|1,0,0]=3 550 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,2,0,0,0,0|1,0,0]=3 551 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,2,0,0,0,0|1,1,0]=4 552 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,2,0,0,0,0|0,1,0]=3 553 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,2,0,0,0,0|0,0,0]=2 555 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,2,0,0,0,0|0,1,0]=3 556 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,2,0,0,0,0|0,1,0]=3 557 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,2,0,0,0,0|1,1,0]=4 558 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,2,0,0,0,0|0,0,0]=2 567 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,2,0,0,0,0|0,1,0]=3 568 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,2,0,0,0,0|0,0,0]=2 570 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,2,0,0,0,0|1,1,0]=4 573 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,2,0,0,0,0|1,1,0]=4 577 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,2,0,0,0,0|0,0,0]=2 582 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,2,0,0,0,0|0,0,0]=2 584 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,2,0,0,0,0|1,1,0]=4 585 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,2,0,0,0,0|1,1,0]=4 587 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,2,0,0,0,0|1,1,0]=4 588 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,2,0,0,0,0|1,1,0]=4 591 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,2,0,0,0,0|0,0,0]=2 592 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,2,0,0,0,0|0,1,0]=3 593 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,2,0,0,0,0|0,0,0]=2 595 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,2,0,0,0,0|0,1,0]=3 596 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,2,0,0,0,0|1,0,0]=3 598 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,2,0,0,0,0|0,0,0]=2 600 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,2,0,0,0,0|0,1,0]=3 601 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,2,0,0,0,0|0,0,0]=2 602 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,2,0,0,0,0|0,1,0]=3 603 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,2,0,0,0,0|1,1,0]=4 611 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,2,0,0,0,0|1,1,0]=4 612 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,2,0,0,0,0|1,1,0]=4 613 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,2,0,0,0,0|0,1,0]=3 615 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 MC427527 [0,2,0,0,0,0|1,1,0]=4 616 B9R1.132 CC1=NSC(C=O)=C1Br MC106268 [0,2,0,0,0,0|1,1,0]=4 617 B9R1.132 O=CC1=C(Br)C(Br)=CS1 MC441135 [0,2,0,0,0,0|0,1,0]=3 618 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,2,0,0,0,0|0,0,0]=2 620 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,2,0,0,0,0|1,1,0]=4 621 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [0,2,0,0,0,0|1,1,0]=4 626 B9R1.19 NS(=O)(=O)C1=CC=CS1 CS22596 [0,2,0,0,0,0|1,1,0]=4 627 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 MC20419 [0,2,0,0,0,0|1,1,0]=4 628 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,2,0,0,0,0|1,1,0]=4 629 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,2,0,0,0,0|0,1,0]=3 630 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,2,0,0,0,0|1,0,0]=3 637 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,2,0,0,0,0|0,1,0]=3 638 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,2,0,0,0,0|1,1,0]=4 639 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [0,2,0,0,0,0|1,1,0]=4 640 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21952 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21953 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.41 NC(=O)C1=NNC=C1Br CS14484 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,2,0,0,0,0|0,1,0]=3 652 B9R1.41 O=C(O)C1=C(Br)C=NN1 CS13587 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,2,0,0,0,0|0,1,0]=3 655 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,2,0,0,0,0|0,1,0]=3 657 B9R1.41 O=C(O)C1=C(I)C=NN1 CS13410 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,2,0,0,0,0|0,1,0]=3 659 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.12 CCOCC1=CC=CO1 CS17009 [0,2,0,0,0,0|0,0,2]=4 664 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [0,2,0,0,0,0|0,0,0]=2 665 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [0,2,0,0,0,0|0,0,0]=2 666 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,2,0,0,0,0|1,0,1]=4 667 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,2,0,0,0,0|0,1,0]=3 668 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,2,0,0,0,0|1,1,0]=4 670 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.14 CCN1C=CN=C1C=O CS13816 [0,2,0,0,0,0|2,0,0]=4 673 B7R1.3 BrC1=CC=CC=C1 MC41456 [0,0,1,1,0,0|2,0,0]=4 674 B7R1.3 BrC1=CC=CN=C1 CS19218 [0,0,1,1,0,0|2,0,0]=4 675 B7R1.3 CC1=CC=CN=C1 MC107850 [0,0,1,1,0,0|2,0,0]=4 676 B7R1.3 ClC1=CC=CC=C1 MC41469 [0,0,1,1,0,0|2,0,0]=4 677 B7R1.3 FC1=CC=CC=C1 MC41489 [0,0,1,1,0,0|2,0,0]=4 678 B7R1.3 FC1=CC=CN=C1 MC20006 [0,0,1,1,0,0|2,0,0]=4 679 B7R1.3 IC1=CC=CC=C1 CS19958 [0,0,1,1,0,0|2,0,0]=4 680 B7R1.3 NC1=CC=CC=C1 MC40851 [0,0,1,1,0,0|2,0,0]=4 681 B7R1.3 NC1=CC=CN=C1 CS19073 [0,0,1,1,0,0|2,0,0]=4 682 B7R1.3 OC1=CC=CC=C1 MC41210 [0,0,1,1,0,0|1,0,0]=3 683 B7R1.3 OC1=CC=CN=C1 CS17813 [0,0,1,1,0,0|1,0,0]=3 684 B7R1.3 OC1=CC=NC=C1 CS19216 [0,0,1,1,0,0|2,0,0]=4 685 B7R1.3 OC1=CN=CN=C1 CS10407 [0,0,1,1,0,0|2,0,0]=4 686 B7R1.3 OC1=CN=NC=C1 CS17666 [0,0,1,1,0,0|2,0,0]=4 687 B7R1.3 OC1=NC=CC=C1 CS21602 [0,0,1,1,0,0|2,0,0]=4 688 B7R1.3 OC1=NC=CN=C1 CS21601 [0,0,1,1,0,0|2,0,0]=4 689 B7R1.3 PC1=CC=CC=C1 MC444841 [0,0,1,1,0,0|2,0,0]=4 690 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [0,0,1,1,0,0|1,1,0]=4 691 B9R2.3 C1=CC2=C(C=CS2)S1 CS19885 [0,1,0,1,0,0|0,2,0]=4 692 B9R2.3 C1=CC2=C(S1)SC=C2 MC442192 [0,1,0,1,0,0|1,1,0]=4