0 B8R1.1 BrCC1=CC(Br)=CS1 MC107253 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.1 BrCC1=NC(Br)=NO1 MC115168 [0,0,0,0,0,0|3,1,0]=4 2 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CC1=CNC(C#N)=N1 CS17142 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,0,0,0,0,0|2,1,1]=4 9 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,0,0,0,0,0|1,1,1]=3 10 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,0,0,0,0,0|1,0,1]=2 13 B8R1.1 CC1=NC(C#N)=CS1 MC106832 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.1 CC1=NN=C(CO)S1 MC107561 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CC1=NSC(C#N)=C1 MC116143 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 CCC1=NNC(N)=C1 CS18101 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CCN1C=C(N)C=N1 MC21175 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CCN1C=C[N+](C)=C1 MC107104 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CN1C=CC(C#N)=N1 CS20751 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.1 CN1C=NC(CN)=C1 MC103434 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CN1C=NC(CN)=C1 MC444306 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CN1C=NC(CO)=C1 CS18049 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CN1C=NC(CO)=N1 CS14509 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.1 CNC1=NC(N)=CS1 MC102822 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.1 COC1=NN=C(C)S1 MC107310 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 ClC1=NC(CBr)=CO1 MC442485 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 ClCC1=CSC(Br)=N1 MC442178 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 N#CC1=NC(Br)=CS1 MC431677 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.1 N#CC1=NC(Cl)=CS1 MC101999 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.1 NC1=NC(CCl)=CS1 CS18388 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 NC1=NC(CO)=CS1 CS14646 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 NCC1=NC=C(Br)S1 MC103526 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 NCC1=NC=C(Br)S1 MC104137 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 NCC1=NC=C(Cl)S1 MC104486 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 NCc1ccc(F)s1 MC102141 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.1 OCC1=CSC(Br)=N1 CS15600 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 OCC1=NC(Br)=CS1 MC103530 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 BrCC1=NC=CO1 MC106296 [1,0,0,0,0,0|1,1,0]=3 54 B7R1.1 BrCC1=NC=CS1 CS12090 [1,0,0,0,0,0|1,0,0]=2 55 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 Br[Zn]c1nccs1 MC121340 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 CNC1=NC=CS1 CS12598 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.1 COC1=NC=CS1 CS22597 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,0,0|1,1,0]=3 62 B7R1.1 CSC1=NN=NS1 MC112481 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.1 ClCC1=CN=CS1 CS16156 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 ClCC1=COC=N1 MC113786 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 ClCC1=NC=CN1 CS20896 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 ClCC1=NC=NN1 MC116571 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 ClCC1=NNC=C1 MC442276 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 N#CC1=CC=CS1 CS22701 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 N#CC1=NC=CS1 CS12219 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.1 NCC1=CC=CN1 CS14874 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CNC=N1 CS15263 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 NCC1=CNC=N1 CS16828 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 NCC1=CSC=N1 MC116268 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 NCC1=NC=CS1 MC444202 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.1 NCC1=NN=CO1 MC103312 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.1 NCC1=NNC=C1 CS15493 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 NCC1=NNC=N1 MC431455 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 NCC1=NSC=C1 MC105065 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 NCc1cocn1 MC102412 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.1 OCC1=CN=CS1 CS16191 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 OCC1=CSC=N1 CS22892 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 OCC1=NC=CS1 MC113802 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.1 OCC1=NC=NN1 MC116570 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 OCC1=NN=CS1 MC107600 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 OCN1C=CC=N1 CS11902 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.2 BrC1=CSC(Br)=N1 CS13368 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,0,0,0,0,0|2,1,0]=4 97 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,0,0,0,0,0|1,0,1]=3 99 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,0,0,0,0,0|1,0,0]=2 106 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,0,0,0,0,0|1,1,0]=3 107 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,0,0,0,0,0|1,0,0]=2 108 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,0,0,0,0,0|0,0,0]=1 109 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,0,0,0,0,0|2,0,0]=3 111 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,0,0,0|0,1,2]=4 112 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,0,0,0,0,0|1,0,0]=2 113 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,0,0,0,0,0|2,0,1]=4 114 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,0,0,0,0,0|2,0,1]=4 116 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.2 CC1=NNC(C)=N1 MC444208 [1,0,0,0,0,0|2,0,0]=3 120 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.2 CC1=NSC(Br)=C1 CS10288 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.2 CC1=NSC(Br)=N1 MC115942 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.2 CC1=NSC(I)=C1 MC100265 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 CC1=NSC(N)=C1 CS16387 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.2 CN1C=NC(Br)=N1 CS22130 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 CN1C=NC(N)=N1 MC443496 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 CN1N=CC(Br)=N1 CS17389 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.2 ClC1=CSC(Br)=N1 CS17180 [1,0,0,0,0,0|2,0,0]=3 132 B7R1.2 ClC1=CSC(Cl)=N1 CS14318 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.2 ClC1=NC(Br)=CS1 MC425755 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.2 FC1=CSC(Br)=C1 MC430931 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.2 NC1=CSC(Br)=N1 MC110924 [1,0,0,0,0,0|2,0,0]=3 137 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.2 NC1=CSC(N)=N1 CS14359 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.2 NC1=NC(Br)=CS1 CS18333 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.2 NC1=NC(O)=CS1 MC111277 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.7 CC1=NOC(CCN)=N1 MC100122 [0,1,0,0,0,0|1,1,0]=3 143 B9R1.7 CCCC1=CSC(N)=N1 CS13157 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.7 CCOC1=NOC(C)=C1 MC427143 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.7 CNCC1=CN(C)C=N1 MC105921 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.7 NC1=NN(CCO)C=C1 CS16129 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.21 CCC1=CC(CO)=NO1 MC106101 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.22 CCC1=C(Br)SC(Cl)=N1 MC100474 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.23 CC1=C(C)SC(C#N)=N1 MC115733 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.23 CC1=C(C)SC(NN)=N1 MC431528 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.23 CC1=CC(CO)=NN1C MC429810 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.23 CN1N=C(CO)C=C1Br MC429813 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,0,0|0,1,1]=3 162 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.35 CC(C)C1=CSC(Br)=N1 MC432525 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 CC(C)C1=CSC(N)=N1 MC443375 [0,1,0,0,0,0|3,0,0]=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=COC(C(=O)O)=N1 MC104071 [0,1,0,0,0,0|1,1,1]=4 167 B9R1.35 CC1=CSC(B(O)O)=C1 MC430054 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.35 CC1=NNC(C(C)C)=C1 MC431144 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,0,1,0,0,0|2,1,0]=4 171 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,1,0,0,0|2,1,0]=4 172 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,1,0,0,0|2,0,1]=4 173 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.1 CC1=CC=C(C#N)N=N1 MC444265 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.1 CC1=CC=C(NN)N=N1 CS22373 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [0,0,0,0,0,1|2,0,1]=4 183 B9R1.1 CC1=CN=C(C#N)N=C1 MC443739 [0,0,0,0,0,1|2,0,1]=4 184 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,0,0,0,0,1|2,0,1]=4 185 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [0,0,0,0,0,1|2,0,1]=4 186 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [0,0,0,0,0,1|2,0,1]=4 187 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [0,0,0,0,0,1|2,0,0]=3 188 B9R1.1 CC1=CN=C(CCl)C=N1 MC103599 [0,0,0,0,0,1|2,0,0]=3 189 B9R1.1 CC1=CN=C(CCl)N=C1 CS15667 [0,0,0,0,0,1|2,0,0]=3 190 B9R1.1 CC1=CN=C(CCl)N=C1 MC104693 [0,0,0,0,0,1|2,0,0]=3 191 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.1 CC1=CN=C(CN)N=C1 MC103801 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.1 CC1=CN=C(CO)C=N1 CS12383 [0,0,0,0,0,1|2,0,0]=3 194 B9R1.1 CC1=CN=C(CO)N=C1 MC102095 [0,0,0,0,0,1|2,0,0]=3 195 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [0,0,0,0,0,1|2,0,1]=4 196 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.1 CC1=NC=C(CBr)C=N1 MC112066 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.1 CC1=NC=C(CI)C=N1 MC116563 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.1 CC1=NC=C(CN)C=N1 MC101949 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.1 CC1=NC=C(CO)C=N1 CS13969 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [0,0,0,0,0,1|2,0,0]=3 208 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [0,0,0,0,0,1|1,0,0]=2 209 B9R1.1 CCC1=CN=C(Cl)N=C1 MC444395 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.1 CCC1=CN=C(N)N=C1 CS14255 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [0,0,0,0,0,1|2,0,0]=3 212 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.1 CNC1=CC=C(Cl)N=N1 CS10696 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.1 COC1=CC=C(Br)N=N1 CS14617 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.1 COC1=CC=C(Cl)N=N1 CS17689 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.1 COC1=CC=C(N)N=N1 CS22091 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 COC1=CN=C(Br)C=N1 CS21377 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.1 COC1=CN=C(Cl)C=N1 CS14927 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 COC1=CN=C(N)C=N1 CS19706 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.1 COC1=NC=C(Br)C=N1 CS17652 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [0,0,0,0,0,1|2,0,0]=3 231 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.1 COC1=NC=C(N)C=N1 CS21652 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 CSC1=NC=C(Br)C=N1 CS18002 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.1 CSC1=NC=C(O)C=N1 CS12580 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.1 ClCC1=CC=C(Cl)N=N1 CS15407 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.1 ClCC1=NC=C(Cl)C=N1 MC104700 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 FC1=CN=C(CCl)N=C1 MC104697 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [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)N=C1 CS16390 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 NCC1=CC=C(Cl)N=N1 MC105810 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 NCC1=NC=C(Br)C=N1 MC102033 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.1 NCC1=NC=C(F)C=N1 MC104531 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.1 OCC1=NC=C(Br)C=N1 MC104533 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.1 OCC1=NC=C(Cl)C=N1 MC104698 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.1 OCC1=NC=C(Cl)N=C1 CS14569 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.1 OCC1=NC=C(F)C=N1 MC103703 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,0,0,0,0,1|1,0,2]=4 271 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.2 CC1=CC(CO)=NC=N1 MC103804 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,0,0,0,0,1|2,0,1]=4 276 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,0,0,0,0,1|2,0,0]=3 278 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,0,0,0,0,1|2,0,0]=3 281 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,0,0,0,0,1|2,0,0]=3 282 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [0,0,0,0,0,1|2,0,1]=4 284 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [0,0,0,0,0,1|2,0,0]=3 286 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,0,0,0,0,1|2,0,0]=3 287 B9R1.2 CC1=CN=NC(CN)=C1 MC104119 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.2 CC1=NC(C#N)=NC=C1 MC425508 [0,0,0,0,0,1|2,0,1]=4 289 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,0,0,0,0,1|2,0,1]=4 290 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,0,0,0,0,1|2,0,0]=3 291 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,0,0,0,0,1|2,0,1]=4 294 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.2 CCC1=CC(=O)N=CN1 MC106508 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.2 CCC1=CC(Cl)=NC=N1 MC106509 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.2 CNC1=NC(Cl)=CN=C1 CS10695 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.2 CNC1=NC=CC(Br)=N1 CS14470 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.2 COC1=CN=CC(Br)=N1 MC431625 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.2 COC1=CN=CC(Cl)=N1 CS21483 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.2 COC1=CN=CC(N)=N1 CS12541 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.2 COC1=NC(Br)=NC=C1 CS12506 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,0,0,0,1|2,0,0]=3 316 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,0,0,0,0,1|2,0,0]=3 317 B9R1.2 COC1=NC(Cl)=NC=C1 CS21447 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.2 COC1=NC(I)=NC=C1 CS11917 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.2 COC1=NC(N)=NC=C1 MC441214 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.2 COC1=NC=CC(Br)=N1 MC442715 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.2 COC1=NC=CC(N)=N1 CS10114 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.2 CSC1=NC=CC(Br)=N1 MC425588 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.2 CSC1=NC=CC(Cl)=N1 CS18332 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.2 CSC1=NC=CC(N)=N1 CS20913 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.2 NC1=NC=CC(CF)=N1 MC430731 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.2 NC1=NC=CC(CO)=N1 CS21291 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.2 NCC1=NC(Cl)=CN=C1 MC106438 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.2 NCC1=NC(Cl)=CN=C1 MC111184 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.2 NCC1=NC(O)=NC=C1 MC104065 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.2 OCC1=NC(Cl)=CN=C1 CS16124 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [0,0,0,0,0,1|3,0,0]=4 344 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|2,0,0]=4 346 B6R1.2 BrC1=CC=CS1 CS21414 [2,0,0,0,0,0|2,0,0]=4 347 B6R1.2 BrC1=CNC=N1 CS14270 [2,0,0,0,0,0|2,0,0]=4 348 B6R1.2 BrC1=CSC=C1 CS21415 [2,0,0,0,0,0|2,0,0]=4 349 B6R1.2 BrC1=CSC=N1 MC20197 [2,0,0,0,0,0|1,0,0]=3 350 B6R1.2 BrC1=NC=CN1 CS19858 [2,0,0,0,0,0|2,0,0]=4 351 B6R1.2 BrC1=NC=CO1 MC104314 [2,0,0,0,0,0|1,1,0]=4 352 B6R1.2 BrC1=NC=CS1 CS14242 [2,0,0,0,0,0|1,0,0]=3 353 B6R1.2 BrC1=NC=NS1 CS14599 [2,0,0,0,0,0|2,0,0]=4 354 B6R1.2 BrC1=NN=CS1 CS21329 [2,0,0,0,0,0|2,0,0]=4 355 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|1,0,1]=4 356 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|1,1,0]=4 357 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|1,0,0]=3 358 B6R1.2 CC1=CN=CS1 CS10460 [2,0,0,0,0,0|2,0,0]=4 359 B6R1.2 CC1=CNC=C1 MC20689 [2,0,0,0,0,0|2,0,0]=4 360 B6R1.2 CC1=CNC=N1 MC20397 [2,0,0,0,0,0|1,0,0]=3 361 B6R1.2 CC1=CNN=N1 CS12910 [2,0,0,0,0,0|2,0,0]=4 362 B6R1.2 CC1=COC=N1 MC427478 [2,0,0,0,0,0|0,1,0]=3 363 B6R1.2 CC1=CSC=N1 CS15621 [2,0,0,0,0,0|0,0,0]=2 364 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|0,1,0]=3 365 B6R1.2 CC1=NC=CS1 CS22598 [2,0,0,0,0,0|0,0,0]=2 366 B6R1.2 CC1=NN=CO1 CS12863 [2,0,0,0,0,0|1,1,0]=4 367 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|2,0,0]=4 368 B6R1.2 CC1=NNC=N1 CS22353 [2,0,0,0,0,0|2,0,0]=4 369 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|2,0,0]=4 370 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|2,0,0]=4 371 B6R1.2 CN1C=NC=N1 CS20744 [2,0,0,0,0,0|2,0,0]=4 372 B6R1.2 ClC1=CSC=N1 CS14317 [2,0,0,0,0,0|1,0,0]=3 373 B6R1.2 ClC1=NC=CO1 MC106420 [2,0,0,0,0,0|1,1,0]=4 374 B6R1.2 ClC1=NC=NS1 CS13994 [2,0,0,0,0,0|2,0,0]=4 375 B6R1.2 FC1=NC=CN1 MC430938 [2,0,0,0,0,0|2,0,0]=4 376 B6R1.2 FC1=NC=CN1 MC431135 [2,0,0,0,0,0|2,0,0]=4 377 B6R1.2 IC1=CC=CS1 CS21616 [2,0,0,0,0,0|2,0,0]=4 378 B6R1.2 IC1=CNC=N1 CS14306 [2,0,0,0,0,0|2,0,0]=4 379 B6R1.2 IC1=CSC=C1 CS22332 [2,0,0,0,0,0|2,0,0]=4 380 B6R1.2 IC1=NC=CN1 CS21881 [2,0,0,0,0,0|2,0,0]=4 381 B6R1.2 IC1=NC=CO1 MC103755 [2,0,0,0,0,0|1,1,0]=4 382 B6R1.2 NC1=CNC=N1 CS16117 [2,0,0,0,0,0|2,0,0]=4 383 B6R1.2 NC1=COC=N1 MC121309 [2,0,0,0,0,0|1,1,0]=4 384 B6R1.2 NC1=CSC=C1 CS12280 [2,0,0,0,0,0|2,0,0]=4 385 B6R1.2 NC1=CSC=N1 MC106910 [2,0,0,0,0,0|1,0,0]=3 386 B6R1.2 NC1=CSC=N1 MC121317 [2,0,0,0,0,0|1,0,0]=3 387 B6R1.2 NC1=NC=CN1 CS13716 [2,0,0,0,0,0|2,0,0]=4 388 B6R1.2 NC1=NC=CN1 CS16946 [2,0,0,0,0,0|2,0,0]=4 389 B6R1.2 NC1=NC=CO1 CS19070 [2,0,0,0,0,0|1,1,0]=4 390 B6R1.2 NC1=NC=CS1 CS16381 [2,0,0,0,0,0|1,0,0]=3 391 B6R1.2 NC1=NC=NS1 CS13953 [2,0,0,0,0,0|2,0,0]=4 392 B6R1.2 NC1=NC=NS1 CS15183 [2,0,0,0,0,0|2,0,0]=4 393 B6R1.2 NC1=NN=CS1 CS22505 [2,0,0,0,0,0|2,0,0]=4 394 B6R1.2 OC1=NC=CS1 CS12100 [2,0,0,0,0,0|1,0,0]=3 395 B6R1.2 SC1=NN=CS1 MC20533 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,1,0,0,0,0|0,1,1]=4 398 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,1,0,0,0,0|0,0,1]=3 399 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,1,0,0,0,0|1,1,0]=4 400 B8R1.7 CC(C)C1=NC=CN1 CS21624 [1,1,0,0,0,0|1,0,0]=3 401 B8R1.7 CC(N)C1=NC=CS1 MC446644 [1,1,0,0,0,0|0,0,0]=2 402 B8R1.7 CC(O)C1=CN=CS1 MC116219 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [1,1,0,0,0,0|1,0,1]=4 404 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,1,0,0,0,0|1,0,1]=4 405 B8R1.8 CCCC1=NC=CN1 CS14621 [1,1,0,0,0,0|1,0,0]=3 406 B8R1.8 COCC1=NC=CN1 MC104489 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.8 N#CCC1=CC=CS1 CS22998 [1,1,0,0,0,0|1,0,1]=4 408 B8R1.8 N#CCC1=NC=CS1 MC103865 [1,1,0,0,0,0|0,0,1]=3 409 B8R1.8 NCCC1=CNC=N1 CS18264 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.8 NCCC1=NC=NN1 MC431308 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.8 NCCC1=NC=NN1 MC431309 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.8 NCCC1=NN=CS1 MC103870 [1,1,0,0,0,0|1,0,0]=3 413 B8R1.8 NCCC1=NN=CS1 MC104483 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.8 NCCC1=NOC=N1 MC107767 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.8 NNCC1=CC=CS1 MC104512 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,1,0,0,0,0|1,0,1]=4 417 B8R1.8 OCCC1=CC=CS1 CS14939 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.8 OCCC1=CNC=N1 CS18186 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.8 OCCC1=NC=CN1 MC431716 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.11 CCC1=NNC=C1I MC106505 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.11 CCN1N=CC=C1N MC444111 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.11 CN1C=CN=C1CO CS13833 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.11 OCC1=C(F)C=CS1 MC429391 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.18 BrC1=NC(Br)=C(Br)S1 MC442187 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.18 CC1=C(Br)N=C(Br)S1 MC442181 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.18 CC1=C(Br)NC(Br)=N1 CS19876 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.18 CC1=C(Br)SC(Br)=C1 MC442189 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.18 CC1=C(Br)SC(N)=N1 CS15953 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.18 CC1=C(Br)SC(N)=N1 CS21269 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.18 CC1=C(C)SC(Br)=N1 CS13229 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.18 CC1=C(C)SC(N)=N1 CS21234 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.18 CC1=C(Cl)N=C(Cl)S1 CS16846 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.18 CC1=C(Cl)SC(Br)=C1 MC442569 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS17499 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.18 CC1=C(I)NC(I)=N1 CS19843 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.18 CC1=CC(C)=NN1C CS19810 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.18 CC1=NC(Br)=CN1C MC107044 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.18 CC1=NN(C)C=C1I MC431130 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.50 CC1=CNC(C)=C1C CS16478 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.50 CC1=CSC(C)=C1Br CS16729 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.1 CCOC1=CC=C(N)N=N1 CS10700 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.1 CNCC1=CN=C(C)N=C1 CS15645 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [0,1,0,0,0,1|1,0,1]=4 456 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.3 COC1=NC=C(CN)C=N1 CS16815 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,1|1,0,1]=4 468 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,1|1,0,1]=4 469 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,1|1,0,1]=4 470 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,0,1|1,0,1]=4 471 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 CS15951 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.13 CC(C)C1=NC=C(Br)C=N1 MC441127 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.13 CC(N)C1=NC=C(F)C=N1 MC104532 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.13 CC1=NC=C(C(C)N)C=N1 MC112001 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.25 CC1=CC=C(CO)C(N)=N1 MC432551 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.25 CC1=CN=C(CBr)C(C)=C1 CS18481 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.25 CC1=CN=C(CCl)C(C)=C1 CS16524 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.25 CC1=CN=C(CN)C(C)=C1 MC116261 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.25 CC1=CN=C(CO)C(C)=C1 CS16432 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.25 CCC1=NC=C(Br)C=C1N MC103443 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.25 CCC1=NC=C(Cl)N=C1Cl MC431248 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.25 COC1=CN=C(C)C=C1Br MC431792 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.25 COC1=CN=C(C)C=C1N MC431793 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.25 COC1=NC=C(C)C=C1Br CS12715 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.25 COC1=NC=C(C)N=C1C CS15176 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.25 Cc1cc(N)c(CCl)cn1 MC102821 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.176 CC1=CN=C(CO)C=C1Br MC106975 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.176 CCC1=CN=C(C)C(C)=N1 CS21048 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.176 COC1=CN=C(C)C(Br)=C1 MC104304 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.176 CSC1=NC=C(C)C(=O)N1 MC103161 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 CS16643 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.8 CC1=CC(C)=NC(CCl)=N1 CS14603 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.8 CC1=CC(CCl)=NC(C)=C1 CS17890 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.8 CC1=CC(Cl)=CC(CO)=N1 MC110838 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.8 CC1=CC(N)=NC(CO)=N1 MC425247 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.8 CC1=CC(O)=NC(CN)=N1 MC106273 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.8 CC1=NC(N)=CC(CO)=N1 MC121184 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 CS22775 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.8 CCC1=CC(N)=NC(C)=N1 MC425886 [0,1,0,0,0,1|1,0,0]=3 507 B10R1.8 CCC1=NC(=O)C=C(O)N1 CS22424 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 CS17845 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.8 CCC1=NC(Cl)=CC(N)=N1 CS19692 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.8 COC1=CC(Cl)=NC(C)=N1 CS12795 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.8 COC1=NC(N)=NC(C)=N1 CS21810 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 MC444335 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.10 CNCC1=NC=CC(C)=N1 MC104234 [0,1,0,0,0,1|1,0,0]=3 516 B10R1.30 CC1=CC=C(F)C(CCl)=N1 MC432129 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.30 CC1=CC=C(N)C(CO)=N1 MC104329 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [0,1,0,0,0,1|1,0,0]=3 519 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [0,1,0,0,0,1|1,0,0]=3 520 B10R1.30 CCC1=NC(Cl)=CC=C1N MC431979 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.30 COC1=NC(C)=CC=C1Br CS19284 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.30 COC1=NC(C)=CC=C1F MC103284 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.30 COC1=NC(C)=CC=C1N CS13867 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,1|1,0,1]=4 525 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.172 CCC1=CC=CC(C#N)=N1 MC104283 [0,1,0,0,0,1|1,0,1]=4 531 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.172 COC1=CN=CC(OC)=N1 MC425619 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.172 COC1=NC(OC)=NC=C1 CS19530 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.172 COC1=NC=CC(CO)=N1 MC103739 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.172 CSC1=NC=CC(CO)=N1 MC432112 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.172 ClCC1=CC=CC(CCl)=N1 MC10384 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.172 NCC1=CC=CC(CO)=N1 MC431477 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.172 OCC1=CC=CC(CO)=N1 MC10441 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.172 OCC1=NC(CBr)=CC=C1 MC443255 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [0,2,0,0,0,0|1,0,1]=4 544 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,2,0,0,0,0|0,0,1]=3 545 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.54 CC(=O)NC1=NC(Br)=CS1 MC442186 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 MC110684 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.54 CC(C)OC1=NC(Br)=CS1 MC430476 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 MC102205 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.96 COCC1=NC=C(CO)S1 MC107567 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.96 N#CC1=NC(CCO)=CS1 MC431974 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.130 CNCC1=C(C)OC(C)=N1 MC431496 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.31 CC(C)C1=NC(CCl)=CS1 MC113790 [0,2,0,0,0,0|0,0,0]=2 554 B10R1.31 O=C(O)C1=CSC(CO)=N1 MC31089 [0,2,0,0,0,0|1,0,1]=4 555 B10R1.35 CCN1C=C(Cl)C(CN)=N1 MC110918 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.55 FC(F)(F)C1=NC(Br)=CS1 MC431009 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,0,1,1,0,0|1,0,1]=4