0 B8R1.1 BrCC1=CC(Br)=CS1 MC107253 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [0,0,0,0,0,0|3,1,0]=4 2 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,0,0,0,0,0|0,1,2]=3 8 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,0,0,0,0,0|1,1,2]=4 9 B8R1.1 CC1=CNC(C#N)=N1 CS17142 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.1 CC1=NC(C#N)=CS1 MC106832 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [0,0,0,0,0,0|1,1,2]=4 20 B8R1.1 CC1=NN=C(CO)S1 MC107561 [0,0,0,0,0,0|2,1,0]=3 21 B8R1.1 CCN1C=C[N+](C)=C1 MC107104 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CN1C=C(CCl)C=N1 MC425489 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CN1C=C(CCl)C=N1 MC425794 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 CN1C=C(CO)C=N1 CS19818 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 CN1C=C(CO)N=N1 MC107583 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CN1C=CC(C#N)=N1 CS20751 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.1 CN1C=NC(CN)=C1 MC103434 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CN1C=NC(CN)=C1 MC444306 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CN1C=NC(CO)=C1 CS18049 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 CN1C=NC(CO)=N1 CS14509 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.1 ClC1=NC(CBr)=CO1 MC442485 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,0,0,0,0,0|2,1,0]=3 34 B8R1.1 ClCC1=CN=C(Cl)S1 CS22566 [0,0,0,0,0,0|3,1,0]=4 35 B8R1.1 ClCC1=CSC(Br)=N1 MC442178 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,0,0,0,0,0|2,0,1]=3 37 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [0,0,0,0,0,0|2,1,1]=4 38 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [0,0,0,0,0,0|2,1,1]=4 39 B8R1.1 NC1=CC(CO)=NN1 MC444277 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 NC1=NC(CCl)=CS1 CS18388 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 NC1=NC(CO)=CS1 CS14646 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.1 NCC1=CN=C(Cl)S1 CS12616 [0,0,0,0,0,0|3,1,0]=4 44 B8R1.1 NCC1=CN=C(Cl)S1 CS19827 [0,0,0,0,0,0|3,1,0]=4 45 B8R1.1 NCC1=NC=C(Br)S1 MC103526 [0,0,0,0,0,0|3,1,0]=4 46 B8R1.1 NCC1=NC=C(Br)S1 MC104137 [0,0,0,0,0,0|3,1,0]=4 47 B8R1.1 NCC1=NC=C(Cl)S1 MC104486 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.1 NCc1ccc(F)s1 MC102141 [0,0,0,0,0,0|2,1,0]=3 49 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,0,0,0|1,0,1]=2 50 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,0,0,0,0,0|1,1,2]=4 51 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,0,0,0,0,0|1,0,2]=3 52 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,0,0,0,0,0|1,0,0]=1 54 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,0,0,0,0,0|1,1,0]=2 55 B8R1.1 OCC1=CN=C(Br)S1 CS18424 [0,0,0,0,0,0|2,1,0]=3 56 B8R1.1 OCC1=CSC(Br)=N1 CS15600 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.1 OCC1=CSC(Cl)=C1 MC102400 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.1 OCC1=NC(Br)=CS1 MC103530 [0,0,0,0,0,0|3,0,0]=3 59 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,0,0|1,1,0]=3 60 B7R1.1 BrCC1=CC=NO1 MC114075 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 BrCC1=COC=C1 MC111404 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 BrCC1=NC=CO1 MC106296 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.1 BrCC1=NC=CS1 CS12090 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.1 ClCC1=CN=CO1 MC105780 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 ClCC1=CN=CO1 MC114644 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 ClCC1=CN=CS1 CS16156 [1,0,0,0,0,0|2,1,0]=4 72 B7R1.1 ClCC1=COC=N1 MC113786 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 ClCC1=NC=CN1 CS20896 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 ClCC1=NNC=C1 MC442276 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 N#CC1=CC=CS1 CS22701 [1,0,0,0,0,0|1,1,1]=4 76 B7R1.1 N#CC1=CC=NO1 CS17495 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 NCC1=CC=CN1 CS14874 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,0,0,0|1,0,0]=2 79 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,0,0|1,1,0]=3 80 B7R1.1 NCC1=CN=CO1 CS17502 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1=CN=CO1 CS18508 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1=CN=CO1 MC104477 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 NCC1=CNC=N1 CS15263 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 NCC1=CNC=N1 CS16828 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 NCC1=CSC=C1 CS22417 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=CSC=N1 MC116268 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 NCC1=NC=CS1 MC444202 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.1 NCC1=NN=CO1 MC103312 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 NCC1=NNC=C1 CS15493 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 NCC1=NSC=C1 MC105065 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 NCc1cocn1 MC102412 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,0,0|1,0,2]=4 93 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,0,0|1,0,2]=4 94 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,0,0|0,0,2]=3 95 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,0,0|0,1,2]=4 96 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,0,0|1,0,2]=4 97 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,0,0,0|0,0,0]=1 98 B7R1.1 OCC1=CC=NO1 CS15343 [1,0,0,0,0,0|1,0,0]=2 99 B7R1.1 OCC1=CN=CS1 CS16191 [1,0,0,0,0,0|1,1,0]=3 100 B7R1.1 OCC1=CNN=C1 CS20094 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 OCC1=COC=C1 CS22303 [1,0,0,0,0,0|2,0,0]=3 102 B7R1.1 OCC1=CON=C1 MC104808 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 OCC1=CSC=C1 CS18039 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.1 OCC1=CSC=N1 CS22892 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.1 OCC1=NC=CS1 MC113802 [1,0,0,0,0,0|1,1,0]=3 106 B7R1.1 OCC1=NC=NN1 MC116570 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.1 OCC1=NN=CS1 MC107600 [1,0,0,0,0,0|2,1,0]=4 108 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,0,0,0|1,0,2]=4 109 B7R1.1 OCN1C=CC=N1 CS11902 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,0,0,0,0,0|2,1,0]=4 111 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,0,0,0,0,0|1,1,0]=3 115 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,0,0,0,0,0|1,0,0]=2 116 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,0,0,0,0,0|2,1,0]=4 119 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,0,0,0,0,0|1,1,0]=3 120 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,0,0,0,0,0|2,1,0]=4 121 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,0,0,0,0,0|2,0,0]=3 126 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,0,0,0,0,0|2,1,0]=4 131 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,0,0,0,0,0|2,1,0]=4 133 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,0,0,0|2,0,1]=4 136 B7R1.2 CC1=NNC(C)=N1 MC444208 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,0,0,0|2,0,1]=4 138 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,0,0,0|2,0,1]=4 139 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,0,0,0,0,0|3,0,0]=4 141 B7R1.2 CN1C=CC(N)=C1 CS17699 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,0,0,0,0,0|2,1,0]=4 144 B7R1.2 NC1=NC(O)=CS1 MC111277 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [0,1,0,0,0,0|0,0,2]=3 146 B9R1.7 CC1=NC(\C=N\O)=CN1 MC107346 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.7 NC1=NN(CCO)C=C1 CS16129 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.7 NNCC1=CC=C(Cl)S1 MC104513 [0,1,0,0,0,0|2,1,0]=4 150 B9R1.21 CCC1=CC(CO)=NO1 MC106101 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.21 N#CC1=CC=C(CBr)S1 CS10149 [0,1,0,0,0,0|1,1,1]=4 152 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,1,0,0,0,0|0,0,3]=4 153 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,1,0,0,0,0|0,0,1]=2 155 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [0,1,0,0,0,0|0,0,0]=1 156 B9R1.22 CC1=C(CCl)OC(=O)O1 CS17711 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.22 CC1=C(CO)OC(=O)O1 CS15068 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.22 CC1=C(CO)SC(Br)=N1 MC432524 [0,1,0,0,0,0|2,1,0]=4 159 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [0,1,0,0,0,0|1,0,2]=4 160 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 CS13821 [0,1,0,0,0,0|2,1,0]=4 161 B9R1.23 CC1=CC(CO)=NN1C MC429810 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.23 CN1N=C(CO)C=C1Br MC429813 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,0,0|1,0,2]=4 164 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,0,0|0,1,2]=4 165 B9R1.35 CC(O)C1=CN(C)C=N1 MC103373 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,0,0|0,0,1]=2 168 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,0,0|0,1,1]=3 169 B9R1.35 CC1=CN=C(B(O)O)S1 MC100716 [0,1,0,0,0,0|2,1,0]=4 170 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,0,0|1,0,1]=3 171 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.35 CC1=CSC(B(O)O)=C1 MC430054 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,0,0,0|1,0,1]=3 175 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,0,0,0|1,1,1]=4 176 B9R1.35 CN1C=CC(B(O)O)=N1 MC442577 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.35 FC(F)C1=CC=C(Br)S1 MC432136 [0,1,0,0,0,0|2,1,0]=4 181 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,0,0|1,0,2]=4 182 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,0,0|1,0,2]=4 183 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,0,0|1,0,1]=3 185 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,0,0|1,1,1]=4 186 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,0,0|1,0,1]=3 187 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,0,0|1,1,1]=4 188 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.2 CC(C)OC(=O)CO CS11522 [0,0,1,0,0,0|1,0,2]=4 190 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,1,0,0,0|1,0,2]=4 192 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,0,1,0,0,0|3,0,0]=4 193 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [0,0,0,0,0,1|2,0,1]=4 198 B9R1.1 CC1=CC=C(C#N)N=N1 MC444265 [0,0,0,0,0,1|2,0,1]=4 199 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [0,0,0,0,0,1|1,0,2]=4 200 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [0,0,0,0,0,1|2,0,0]=3 201 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [0,0,0,0,0,1|2,0,0]=3 202 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [0,0,0,0,0,1|1,0,0]=2 205 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [0,0,0,0,0,1|1,0,0]=2 206 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.1 CC1=CC=C(NN)N=N1 CS22373 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [0,0,0,0,0,1|2,0,1]=4 209 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,0,0,0,0,1|1,0,2]=4 210 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.1 CC1=CN=C(CCl)C=N1 MC103599 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.1 CC1=CN=C(CCl)N=C1 CS15667 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.1 CC1=CN=C(CCl)N=C1 MC104693 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.1 CC1=CN=C(CN)N=C1 MC103801 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.1 CC1=CN=C(CO)C=N1 CS12383 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.1 CC1=CN=C(CO)N=C1 MC102095 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [0,0,0,0,0,1|2,0,1]=4 219 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,0,0,0,0,1|1,0,2]=4 220 B9R1.1 CC1=NC=C(CBr)C=N1 MC112066 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 CC1=NC=C(CI)C=N1 MC116563 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 CC1=NC=C(CN)C=N1 MC101949 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 CC1=NC=C(CO)C=N1 CS13969 [0,0,0,0,0,1|2,0,0]=3 224 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [0,0,0,0,0,1|2,0,0]=3 231 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.1 CN1C=CC(CN)=CN1 MC105291 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 ClCC1=CC=C(Cl)N=N1 CS15407 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.1 NCC1=CC=C(Br)N=C1 CS11090 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 NCC1=CC=C(Cl)N=C1 CS16390 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 NCC1=CC=C(Cl)N=N1 MC105810 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [0,0,0,0,0,1|2,0,0]=3 267 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [0,0,0,0,0,1|2,0,0]=3 268 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.1 OCC1=CN=C(Cl)N=C1 MC444180 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.1 OCC1=NC=C(Br)C=N1 MC104533 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [0,0,0,0,0,1|2,0,0]=3 274 B9R1.1 OCC1=NC=C(Cl)C=N1 MC104698 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.1 OCC1=NC=C(Cl)N=C1 CS14569 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [0,0,0,0,0,1|2,0,0]=3 277 B9R1.1 OCC1=NC=C(F)C=N1 MC103703 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.2 BrCC1=CC(I)=CC=C1 MC40562 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.2 BrCC1=CC=CC(Br)=C1 CS19344 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.2 C#CC1=CC(C)=NC=C1 MC103098 [0,0,0,0,0,1|2,0,1]=4 282 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,0,0,0,0,1|2,0,1]=4 283 B9R1.2 C=NC1=CC(C)=CC=C1 MC111025 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.2 CC1=CC(C#N)=NC=C1 CS20235 [0,0,0,0,0,1|2,0,1]=4 285 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,0,0,0,0,1|1,0,2]=4 286 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,0,0,0,0,1|1,0,2]=4 287 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,0,0,0,0,1|2,0,0]=3 289 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,0,0,0,0,1|1,0,0]=2 290 B9R1.2 CC1=CC(CO)=NC=N1 MC103804 [0,0,0,0,0,1|2,0,0]=3 291 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.2 CC1=CC(NN)=NC=C1 CS13399 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.2 CC1=CC=CC(C#N)=C1 CS19778 [0,0,0,0,0,1|2,0,1]=4 294 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,0,0,0,0,1|2,0,1]=4 295 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,0,0,0,0,1|1,0,2]=4 296 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,0,0,0,0,1|1,0,2]=4 297 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,0,0,0,0,1|1,0,0]=2 302 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [0,0,0,0,0,1|2,0,1]=4 304 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [0,0,0,0,0,1|2,0,0]=3 305 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,0,0,0,0,1|1,0,0]=2 307 B9R1.2 CC1=CN=NC(CN)=C1 MC104119 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.2 CC1=NC(C#N)=NC=C1 MC425508 [0,0,0,0,0,1|2,0,1]=4 309 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,0,0,0,0,1|1,0,2]=4 310 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,0,0,0,0,1|2,0,0]=3 311 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,0,0,0,0,1|1,0,0]=2 313 B9R1.2 CC1=NC=CC(C#N)=C1 MC21144 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,0,0,0,0,1|1,0,2]=4 315 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,0,0,0,0,1|1,0,2]=4 316 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,0,0,0,0,1|2,0,0]=3 317 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,0,0,0,0,1|2,0,0]=3 320 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.2 Cc1cc(C#N)ccn1 MC115556 [0,0,0,0,0,1|2,0,1]=4 327 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.2 ClC1=CC=CC(CBr)=C1 CS22235 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.2 ClC1=CN=CC(CBr)=C1 MC107431 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.2 ClCC1=CC(Br)=CC=C1 MC40579 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.2 ClCC1=CC(Cl)=CC=C1 MC40582 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.2 ClCC1=CN=CC(Br)=C1 MC425679 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.2 FC1=CC=CC(CBr)=C1 MC40552 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.2 FC1=CC=CC(CCl)=C1 CS19068 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.2 FCC1=CC=CC(F)=C1 MC433530 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [0,0,0,0,0,1|2,0,0]=3 338 B9R1.2 NC1=CC(CO)=NC=N1 MC121194 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.2 NC1=CC(CO)=NC=N1 MC425257 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.2 NC1=CC=CC(CO)=C1 CS18821 [0,0,0,0,0,1|2,0,0]=3 341 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [0,0,0,0,0,1|2,0,0]=3 342 B9R1.2 NC1=CN=CC(CO)=C1 CS22079 [0,0,0,0,0,1|2,0,0]=3 343 B9R1.2 NC1=NC=CC(CCl)=C1 MC431205 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.2 NC1=NC=CC(CF)=N1 MC430731 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.2 NC1=NC=CC(CO)=C1 CS17807 [0,0,0,0,0,1|2,0,0]=3 346 B9R1.2 NC1=NC=CC(CO)=N1 CS21291 [0,0,0,0,0,1|2,0,0]=3 347 B9R1.2 NCC1=CC(Br)=CC=C1 CS19652 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.2 NCC1=CC(Br)=CC=C1 MC40798 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.2 NCC1=CC(Br)=CN=C1 MC106753 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.2 NCC1=CC(Br)=NC=C1 CS17247 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.2 NCC1=CC(Cl)=CC=C1 MC33134 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.2 NCC1=CC(Cl)=NC=C1 CS16037 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.2 NCC1=CC(F)=CC=C1 MC33025 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.2 NCC1=CC(F)=CN=C1 MC431591 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.2 NCC1=CC(F)=NC=C1 MC116260 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.2 NCC1=CC(I)=CC=C1 CS22330 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.2 NCC1=CC(N)=NC=C1 CS17453 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.2 NCC1=CN=CC(N)=C1 MC33458 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.2 NCC1=NC(Cl)=CN=C1 MC106438 [0,0,0,0,0,1|3,0,0]=4 362 B9R1.2 NCC1=NC(Cl)=CN=C1 MC111184 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.2 NCC1=NC(O)=NC=C1 MC104065 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.2 OC1=CC(CBr)=CC=C1 MC425573 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.2 OCC1=CC(Br)=CN=C1 CS18272 [0,0,0,0,0,1|2,0,0]=3 370 B9R1.2 OCC1=CC(Br)=NC=C1 CS19256 [0,0,0,0,0,1|2,0,0]=3 371 B9R1.2 OCC1=CC(F)=CC=C1 CS19069 [0,0,0,0,0,1|2,0,0]=3 372 B9R1.2 OCC1=CC(F)=CN=C1 MC430713 [0,0,0,0,0,1|2,0,0]=3 373 B9R1.2 OCC1=CC(F)=NC=C1 CS21547 [0,0,0,0,0,1|2,0,0]=3 374 B9R1.2 OCC1=CC(O)=CC=C1 MC40720 [0,0,0,0,0,1|2,0,0]=3 375 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [0,0,0,0,0,1|2,0,0]=3 376 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [0,0,0,0,0,1|2,0,0]=3 377 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [0,0,0,0,0,1|2,0,0]=3 378 B9R1.2 OCC1=NC(Cl)=CN=C1 CS16124 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [0,0,0,0,0,1|2,0,0]=3 380 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [0,0,0,0,0,1|2,0,0]=3 381 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [0,0,0,0,0,1|2,0,0]=3 382 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [0,0,0,0,0,1|2,0,0]=3 383 B9R1.2 OCC1=NC=NC(Cl)=C1 MC444425 [0,0,0,0,0,1|3,0,0]=4 384 B6R0.1 CCOC(=O)CO CS11386 [1,0,1,0,0,0|1,0,1]=4 385 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,1,0,0,0|0,0,2]=4 386 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|1,0,1]=4 387 B6R1.2 BrC1=CC=CS1 CS21414 [2,0,0,0,0,0|1,1,0]=4 388 B6R1.2 BrC1=CC=C[Se]1 MC114898 [2,0,0,0,0,0|1,1,0]=4 389 B6R1.2 BrC1=CN=CO1 MC105695 [2,0,0,0,0,0|2,0,0]=4 390 B6R1.2 BrC1=NC=CO1 MC104314 [2,0,0,0,0,0|2,0,0]=4 391 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|1,0,0]=3 392 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|0,0,0]=2 393 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|0,1,0]=3 394 B6R1.2 CC1=CC=NN1 MC21108 [2,0,0,0,0,0|2,0,0]=4 395 B6R1.2 CC1=CN=CS1 CS10460 [2,0,0,0,0,0|1,1,0]=4 396 B6R1.2 CC1=CNC=C1 MC20689 [2,0,0,0,0,0|2,0,0]=4 397 B6R1.2 CC1=CNC=N1 MC20397 [2,0,0,0,0,0|2,0,0]=4 398 B6R1.2 CC1=COC=N1 MC427478 [2,0,0,0,0,0|2,0,0]=4 399 B6R1.2 CC1=CSC=N1 CS15621 [2,0,0,0,0,0|2,0,0]=4 400 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|1,0,0]=3 401 B6R1.2 CC1=NC=CS1 CS22598 [2,0,0,0,0,0|1,1,0]=4 402 B6R1.2 CC1=NN=CO1 CS12863 [2,0,0,0,0,0|2,0,0]=4 403 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|2,0,0]=4 404 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|2,0,0]=4 405 B6R1.2 CN1C=CC=C1 CS20770 [2,0,0,0,0,0|2,0,0]=4 406 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|2,0,0]=4 407 B6R1.2 ClC1=NC=CO1 MC106420 [2,0,0,0,0,0|2,0,0]=4 408 B6R1.2 IC1=CC=CS1 CS21616 [2,0,0,0,0,0|1,1,0]=4 409 B6R1.2 IC1=NC=CO1 MC103755 [2,0,0,0,0,0|2,0,0]=4 410 B6R1.2 NC1=NC=CO1 CS19070 [2,0,0,0,0,0|2,0,0]=4 411 B6R1.2 OC1=NC=CS1 CS12100 [2,0,0,0,0,0|1,1,0]=4 412 B6R1.2 ON1C=CC=N1 CS12818 [2,0,0,0,0,0|2,0,0]=4 413 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,1,0,0,0|1,0,1]=4 414 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,1,0,0,0,0|0,0,2]=4 415 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.7 CC(O)C1=CN=CS1 MC116219 [1,1,0,0,0,0|1,1,0]=4 417 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [1,1,0,0,0,0|1,0,1]=4 418 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [1,1,0,0,0,0|1,0,1]=4 419 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,1,0,0,0,0|1,0,1]=4 420 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,1,0,0,0,0|0,0,1]=3 421 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,1,0,0,0,0|0,1,1]=4 422 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,1,0,0,0,0|1,0,1]=4 423 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,1,0,0,0,0|1,0,1]=4 424 B8R1.7 OB(O)C1=CC=CN1 MC113759 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.7 OB(O)C1=CC=CO1 CS22587 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.7 OB(O)C1=CC=CS1 CS22584 [1,1,0,0,0,0|1,1,0]=4 427 B8R1.8 COCC1=NC=CN1 MC104489 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.8 N#CCC1=CC=CS1 CS22998 [1,1,0,0,0,0|1,1,0]=4 429 B8R1.8 NNCC1=CC=CS1 MC104512 [1,1,0,0,0,0|1,1,0]=4 430 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,1,0,0,0,0|0,1,1]=4 431 B8R1.8 OCCC1=CC=CS1 CS14939 [1,1,0,0,0,0|0,1,0]=3 432 B8R1.8 OCCC1=CNC=N1 CS18186 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.8 OCCC1=CSC=C1 CS20858 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.8 OCCC1=NC=CN1 MC431716 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.11 CC1=C(CO)NC=N1 CS14250 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.11 CN1C=CN=C1CO CS13833 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [1,1,0,0,0,0|1,1,0]=4 439 B8R1.11 OCC1=C(Br)N=CS1 CS12138 [1,1,0,0,0,0|1,1,0]=4 440 B8R1.11 OCC1=C(Br)SC=C1 MC442201 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.11 OCC1=C(F)C=CS1 MC429391 [1,1,0,0,0,0|0,1,0]=3 442 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [1,1,0,0,0,0|1,0,1]=4 443 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.18 CC1=CC(=O)OC1O CS22773 [1,1,0,0,0,0|1,0,1]=4 445 B8R1.18 CC1=CC(C)=NN1C CS19810 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [1,1,0,0,0,0|0,1,0]=3 447 B8R1.18 CC1=NN(C)C=C1I MC431130 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [1,1,0,0,0,0|1,0,1]=4 449 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [1,1,0,0,0,0|1,0,1]=4 450 B8R1.50 CC1=CNC(C)=C1C CS16478 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.50 CC1=CSC(C)=C1Br CS16729 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [0,1,0,0,0,1|1,0,0]=3 456 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.3 BrCC1=CC=C(CBr)C=C1 MC40512 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [0,1,0,0,0,1|1,0,0]=3 471 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [0,1,0,0,0,1|1,0,0]=3 472 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [0,1,0,0,0,1|1,0,0]=3 477 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.3 N#CC1=CN=C(CO)C=C1 CS16902 [0,1,0,0,0,1|1,0,1]=4 481 B10R1.3 N#CC1=NC=C(CO)C=C1 MC33454 [0,1,0,0,0,1|1,0,1]=4 482 B10R1.3 NCC1=CC=C(CO)C=C1 CS18290 [0,1,0,0,0,1|1,0,0]=3 483 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [0,1,0,0,0,1|1,0,1]=4 484 B10R1.3 OCC1=CC=C(CBr)C=C1 CS20041 [0,1,0,0,0,1|1,0,0]=3 485 B10R1.3 OCC1=CC=C(CO)C=C1 CS20456 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.13 CC1=CC=C(B(O)O)C=N1 CS18413 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,0,1|1,0,1]=4 491 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,0,1|1,0,1]=4 492 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,0,1|1,0,1]=4 493 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,0,1|1,0,1]=4 494 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.25 CC1=C(CO)C=CC(Br)=C1 MC433849 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.25 CC1=CC(Br)=C(CN)C=C1 MC112223 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.25 CC1=CC(C)=C(CBr)C=C1 CS21116 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.25 CC1=CC(C)=C(CCl)C=C1 MC40593 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.25 CC1=CC(F)=CN=C1CO MC432488 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.25 CC1=CC(N)=C(CO)C=C1 CS21019 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.25 CC1=CC=C(CO)C(N)=N1 MC432551 [0,1,0,0,0,1|1,0,0]=3 502 B10R1.25 CC1=CN=C(CBr)C(C)=C1 CS18481 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.25 CC1=CN=C(CCl)C(C)=C1 CS16524 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.25 CC1=CN=C(CN)C(C)=C1 MC116261 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.25 CC1=CN=C(CO)C(C)=C1 CS16432 [0,1,0,0,0,1|1,0,0]=3 506 B10R1.25 CC1=NC(=O)C(CO)=CN1 MC115941 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.25 CC1=NC(F)=CC=C1CO MC431864 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.25 CC1=NC=C(CO)C(N)=N1 CS22573 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.25 Cc1cc(N)c(CCl)cn1 MC102821 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.25 NC1=C(CO)C=NC(Cl)=C1 MC432513 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.25 NC1=CC(Br)=CN=C1CO MC103513 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 CS21073 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.25 OCC1=C(Br)C=C(Br)N=C1 MC106713 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 MC427221 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.25 OCC1=C(Cl)C=C(Br)N=C1 MC103223 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.25 OCC1=C(Cl)C=C(Cl)N=C1 MC431868 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 MC40693 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.25 OCC1=C(F)C=C(F)C=C1 MC33159 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.25 OCC1=C(F)C=C(O)C=C1 CS13215 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.25 OCC1=C(O)C=C(Br)C=C1 CS10248 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.25 OCC1=CC=C(Br)N=C1Br MC105731 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.25 OCC1=NC=C(Br)C=C1F MC113018 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.25 OCC1=NC=C(Cl)C=C1Br MC430379 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.25 OCC1=NC=C(Cl)C=C1Br MC432496 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.25 OCC1=NC=C(Cl)C=C1Cl MC445699 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.25 OCC1=NC=C(Cl)C=C1F MC104426 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.25 OCC1=NC=C(F)C=C1Cl MC116262 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.25 OCC1=NC=C(F)C=C1F MC430913 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 CS16721 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.176 CC1=C(Br)C=C(CO)C=C1 MC33229 [0,1,0,0,0,1|1,0,0]=3 531 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [0,1,0,0,0,1|1,0,0]=3 535 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 MC433895 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.176 CC1=C(Cl)N=CC(CO)=C1 CS16130 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.176 CC1=CN=C(CO)C=C1Br MC106975 [0,1,0,0,0,1|1,0,0]=3 538 B10R1.176 NC1=CC(CO)=NC=C1Br MC104291 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.176 O=C1C=C(CO)OC=C1O CS11536 [0,1,0,0,0,1|1,0,0]=3 540 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 MC40686 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.176 OCC1=CC(Br)=C(F)N=C1 MC430838 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 CS18809 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.176 OCC1=CC(Cl)=C(F)C=C1 MC30274 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.176 OCC1=CC(Cl)=C(F)N=C1 MC430836 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.176 OCC1=CC(F)=C(Br)C=C1 CS20190 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 MC40694 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.176 OCC1=CC(F)=C(F)C=C1 CS19362 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.176 OCC1=NC(Br)=C(F)C=C1 MC430229 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.176 OCC1=NC=C(Br)C(Cl)=C1 MC107330 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 MC100216 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.176 OCc1ccc(Br)c(Cl)n1 MC432359 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.2 CC1=C(CO)C=CC=C1Br MC40689 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.2 CC1=C(O)C=CC=C1CO MC425562 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.2 CC1=CC=CC(CBr)=C1C CS10894 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.2 CC1=CC=CC(CN)=C1C MC40822 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.2 CC1=CC=CC(CO)=C1C CS20113 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.2 NC1=C(CO)C=CC=C1Cl CS14362 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.2 NC1=C(CO)C=NC=C1Br MC443609 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.2 NC1=CC=CC(CO)=C1F CS12522 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.2 OCC1=C(Br)C(Cl)=CC=C1 MC442478 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.2 OCC1=C(Br)C(F)=CC=C1 MC433844 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.2 OCC1=C(Cl)C(Cl)=CC=C1 MC40699 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.2 OCC1=C(F)C(Br)=CC=C1 MC31105 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.2 OCC1=C(F)C(Br)=NC=C1 MC431713 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.2 OCC1=C(F)C(F)=CC=C1 MC433152 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.8 CC1=CC(C)=CC(CBr)=C1 CS18923 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.8 CC1=CC(C)=CC(CO)=C1 MC40707 [0,1,0,0,0,1|1,0,0]=3 571 B10R1.8 CC1=CC(C)=NC(CCl)=N1 CS14603 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.8 CC1=CC(CCl)=NC(C)=C1 CS17890 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.8 CC1=CC(CN)=CC(Cl)=N1 MC432601 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.8 CC1=CC(CN)=CC(F)=C1 MC40829 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.8 CC1=CC(CO)=CC(C)=N1 CS20117 [0,1,0,0,0,1|1,0,0]=3 576 B10R1.8 CC1=CC(CO)=CC(N)=C1 MC433838 [0,1,0,0,0,1|1,0,0]=3 577 B10R1.8 CC1=CC(Cl)=CC(CO)=N1 MC110838 [0,1,0,0,0,1|1,0,0]=3 578 B10R1.8 CC1=CC(N)=NC(CO)=N1 MC425247 [0,1,0,0,0,1|1,0,0]=3 579 B10R1.8 CC1=CC(O)=NC(CN)=N1 MC106273 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.8 CC1=NC(N)=CC(CO)=N1 MC121184 [0,1,0,0,0,1|1,0,0]=3 581 B10R1.8 CCC1=CC(N)=NC(C)=N1 MC425886 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 MC33050 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.8 OCC1=CC(Br)=CC(Cl)=C1 MC106903 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.8 OCC1=CC(Br)=CC(F)=C1 CS22159 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.8 OCC1=CC(Br)=CC(I)=C1 MC107686 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 CS20191 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.8 OCC1=CC(F)=CC(F)=C1 MC30102 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.8 OCC1=NC(Cl)=CC(Br)=C1 MC431636 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.8 OCC1=NC(Cl)=CC(Cl)=C1 MC445706 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [0,1,0,0,0,1|1,0,0]=3 592 B10R1.10 CNCC1=NC=CC(C)=N1 MC104234 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.10 COCC1=CC(Cl)=NC=C1 MC425095 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.30 CC1=C(CO)C=C(I)C=C1 MC425423 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.30 CC1=CC(CCl)=C(C)C=C1 MC40594 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.30 CC1=CC(CN)=C(C)C=C1 MC20405 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.30 CC1=CC(CN)=C(O)C=C1 MC431862 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.30 CC1=CC=C(F)C(CCl)=N1 MC432129 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.30 CC1=CC=C(N)C(CO)=N1 MC104329 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 MC430303 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.30 NC1=C(CO)C=C(Br)C=C1 CS20119 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 MC40682 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 MC433837 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.30 NC1=CC(CO)=C(F)C=C1 MC40683 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.30 NC1=NC=C(Br)C=C1CO MC20496 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.30 NC1=NC=C(Br)N=C1CO MC106405 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 MC40685 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.30 OCC1=C(Br)C=CC(F)=C1 CS13914 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.30 OCC1=C(Br)C=CC(I)=C1 MC433848 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 MC433841 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 CS21464 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.30 OCC1=C(F)C=CC(F)=C1 MC40701 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.30 OCC1=CC(Br)=CC=C1O CS20280 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.30 OCC1=CC(Br)=CN=C1Br MC432612 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.30 OCC1=CC(Br)=NC=C1F MC432594 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.30 OCC1=CC(Cl)=NC=C1F CS19536 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.113 CC(O)C1=CC(F)=NC=C1 MC432297 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.113 CC(O)C1=CC(N)=NC=C1 MC425261 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.113 CC1=CC(B(O)O)=NC=C1 MC106710 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,0,1|1,0,1]=4 632 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,0,1|1,0,1]=4 633 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.113 CC1=CC=CC(B(O)O)=N1 MC106708 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,0,1|1,0,1]=4 636 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,0,1|1,0,1]=4 637 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.113 CC1=CN=CC(B(O)O)=C1 CS19510 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,0,1|1,0,1]=4 640 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,0,1|1,0,1]=4 641 B10R1.113 CC1=NC=CC(B(O)O)=C1 CS18378 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,1,0,0,0,1|1,0,1]=4 643 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,0,1|1,0,1]=4 644 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.172 BrCC1=CC=CC(CBr)=C1 MC40511 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [0,1,0,0,0,1|1,0,0]=3 647 B10R1.172 COC1=CC(CN)=NC=C1 CS12102 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.172 COC1=CC(CN)=NC=C1 MC443540 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [0,1,0,0,0,1|1,0,0]=3 650 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [0,1,0,0,0,1|1,0,0]=3 654 B10R1.172 COC1=NC=CC(CN)=C1 CS16830 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.172 COC1=NC=CC(CO)=N1 MC103739 [0,1,0,0,0,1|1,0,0]=3 657 B10R1.172 CSC1=NC=CC(CO)=N1 MC432112 [0,1,0,0,0,1|1,0,0]=3 658 B10R1.172 ClCC1=CC=CC(CCl)=C1 MC20408 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.172 ClCC1=CC=CC(CCl)=N1 MC10384 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.172 N#CC1=CC(CO)=CC=C1 CS22259 [0,1,0,0,0,1|1,0,1]=4 661 B10R1.172 N#CC1=CC(CO)=NC=C1 MC33518 [0,1,0,0,0,1|1,0,1]=4 662 B10R1.172 N#CC1=CN=CC(CO)=C1 CS20220 [0,1,0,0,0,1|1,0,1]=4 663 B10R1.172 N#CC1=NC(CO)=CC=C1 MC106629 [0,1,0,0,0,1|1,0,1]=4 664 B10R1.172 NCC1=CC=CC(CO)=N1 MC431477 [0,1,0,0,0,1|1,0,0]=3 665 B10R1.172 O=CC1=NC=CC(CO)=C1 MC102699 [0,1,0,0,0,1|1,0,1]=4 666 B10R1.172 OCC1=CC(CBr)=CC=C1 CS10867 [0,1,0,0,0,1|1,0,0]=3 667 B10R1.172 OCC1=CC=CC(CO)=N1 MC10441 [0,1,0,0,0,1|1,0,0]=3 668 B10R1.172 OCC1=NC(CBr)=CC=C1 MC443255 [0,1,0,0,0,1|1,0,0]=3 669 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,2,0,0,0,0|1,0,1]=4 672 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,2,0,0,0,0|1,0,1]=4 673 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [0,2,0,0,0,0|0,0,2]=4 674 B10R1.96 COCC1=NC=C(CO)S1 MC107567 [0,2,0,0,0,0|1,1,0]=4 675 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [0,2,0,0,0,0|0,0,2]=4 676 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,2,0,0,0,0|0,0,1]=3 677 B10R1.31 O=CC1=CC=C(B(O)O)O1 CS22063 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [0,2,0,0,0,0|0,0,2]=4 679 B10R1.31 OCC1=CC=C(B(O)O)O1 MC114366 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.31 OCC1=CC=C(B(O)O)S1 CS14164 [0,2,0,0,0,0|1,1,0]=4 681 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS13168 [0,2,0,0,0,0|1,0,1]=4 682 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 CS10451 [0,2,0,0,0,0|1,1,0]=4 683 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,2,0,0,0,0|0,1,1]=4 684 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,2,0,0,0,0|1,0,1]=4 685 B10R1.55 CC1=CC=C(C(F)(F)F)O1 MC429054 [0,2,0,0,0,0|1,0,0]=3 686 B8R1.2 OCC1=CC=CC=C1 MC40684 [0,0,1,1,0,0|1,0,1]=4 687 B8R1.2 OCC1=CC=CN=C1 CS22409 [0,0,1,1,0,0|2,0,0]=4 688 B8R1.2 OCC1=CC=CN=N1 CS21870 [0,0,1,1,0,0|2,0,0]=4 689 B8R1.2 OCC1=NC=CC=C1 CS19164 [0,0,1,1,0,0|1,0,1]=4 690 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,0,1,1,0,0|1,0,1]=4 691 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,0,1,1,0,0|1,0,1]=4 692 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,0,1,1,0,0|2,0,0]=4 693 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,0,1,1,0,0|2,0,0]=4 694 B8R1.5 OC1=CC=CC=C1O CS11109 [0,0,1,1,0,0|0,0,2]=4