0 B8R1.1 C#CC1=CSC(C)=N1 32023 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 CC1=CC=C(CN)S1 71266 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CC1=CSC(CO)=N1 78422 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=NC(C#N)=CS1 24243 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CC1=NC(CO)=CN1 22905 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,0,0,0,0,0|3,1,0]=4 20 B8R1.1 CC1=NC=C(CN)S1 72160 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,0,0,0,0,0|3,1,0]=4 22 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.1 CCC1=CN=C(N)S1 84403 [0,0,0,0,0,0|3,1,0]=4 24 B8R1.1 CN1C=CC(C#N)=N1 35174 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CNC1=NC(C)=NS1 72649 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CNC1=NN=C(C)S1 71271 [0,0,0,0,0,0|3,1,0]=4 32 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 COC1=NC=C(Br)S1 78090 [0,0,0,0,0,0|2,2,0]=4 34 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,0,0,0,0,0|2,1,0]=3 35 B8R1.1 CSC1=NN=C(C)S1 D80857 [0,0,0,0,0,0|2,1,0]=3 36 B8R1.1 CSC1=NN=C(Cl)S1 W18100 [0,0,0,0,0,0|3,1,0]=4 37 B8R1.1 CSC1=NNC(N)=C1 75644 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 N#CC1=CC=C(Br)N1 D82532 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 N#CC1=CC=C(F)S1 37626 [0,0,0,0,0,0|3,1,0]=4 41 B8R1.1 N#CC1=CC=C(I)S1 C73627 [0,0,0,0,0,0|3,1,0]=4 42 B8R1.1 N#CC1=CC=C(N)S1 53143 [0,0,0,0,0,0|3,1,0]=4 43 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,0,0,0,0,0|3,1,0]=4 44 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,0,0,0,0,0|3,1,0]=4 45 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,0,0|1,1,1]=4 51 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,0,0|2,1,0]=4 63 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 N#CC1=CC=NO1 F30844 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 N#CC1=NC=CO1 57346 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,0,0|2,1,0]=4 71 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.2 CC1=CN(C)C=N1 11615 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.2 CC1=CN=C(N)S1 C13827 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,0,0,0|2,1,0]=4 78 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,0,0,0|1,2,0]=4 79 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.2 CC1=CSC(I)=N1 W17362 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 CC1=NC=C(Br)S1 29668 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.2 CC1=NC=C(N)S1 80222 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.2 CC1=NN=C(C)C1 N10051 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.2 CC1=NN=C(N)O1 71460 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.2 CC1=NN=C(S)O1 F19936 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.2 CN1C=CC(N)=C1 O10425 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,0,0,0|0,1,1]=3 91 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,0,0,0|1,1,1]=4 92 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,0,0,0|1,1,1]=4 93 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,0,0,0,0,0|1,2,0]=4 94 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,0,0|1,1,0]=3 95 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,0,0,0|1,1,1]=4 97 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.21 CSC1=NN=C(SC)S1 A11083 [0,1,0,0,0,0|2,1,0]=4 99 B9R1.21 N#CC1=CC=C(C#N)O1 D83197 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.21 N#CC1=CC=C(CBr)O1 D94913 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.21 N#CC1=CC=C(CBr)S1 26290 [0,1,0,0,0,0|2,1,0]=4 102 B9R1.21 N#CC1=CC=C(CN)O1 AT17204 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.21 N#CC1=CC=C(CN)S1 AB1094 [0,1,0,0,0,0|2,1,0]=4 104 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,1,0,0,0,0|2,1,0]=4 107 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [0,1,0,0,0,0|1,2,0]=4 108 B9R1.22 COC1=NN(C)C=C1Br P17795 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.22 COC1=NN(C)C=C1N 72943 [0,1,0,0,0,0|2,1,0]=4 110 B9R1.22 COC1=NN(C)C=C1N P19123 [0,1,0,0,0,0|2,1,0]=4 111 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,0,0|2,1,0]=4 117 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,1,0,0,0|2,0,0]=3 125 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.1 CC1=NN=C(C#N)C=C1 37499 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.1 CNC1=NN=C(Br)C=C1 C10836 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.1 COC1=CN=C(F)C=C1 98092 [0,0,0,0,0,1|2,1,0]=4 148 B9R1.1 COC1=NN=C(I)C=C1 C15088 [0,0,0,0,0,1|2,1,0]=4 149 B9R1.1 CSC1=CN=C(Cl)N=C1 W16220 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.1 CSC1=NC=C(Cl)C=N1 63237 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.1 CSC1=NC=C(N)C=N1 31929 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,0,0,0,0,1|2,0,1]=4 154 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,0,0,0,0,1|2,1,0]=4 185 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,0,0,0,0,1|1,1,0]=3 186 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,0,0,0,0,1|1,1,0]=3 187 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,0,0,0,0,1|2,1,0]=4 188 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,0,0,0,0,1|2,1,0]=4 189 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,0,0,0,0,1|2,1,0]=4 190 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,0,0,0,0,1|2,1,0]=4 191 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [0,0,0,0,0,1|2,0,0]=3 194 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [0,0,0,0,0,1|2,0,0]=3 195 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [0,0,0,0,0,1|2,0,0]=3 196 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [0,0,0,0,0,1|2,0,0]=3 197 B6R0.4 COC=CC(=O)O D97266 [1,0,1,0,0,0|1,1,0]=4 198 B6R1.2 BrC1=NC=CO1 N12756 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 IC1=NC=CO1 38371 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 NC1=CC=NO1 AB9529 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 SC1=CC=CS1 23061 [2,0,0,0,0,0|0,1,0]=3 206 B6R1.2 SC1=CSC=C1 79297 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.7 CC(C)C1=CC=CO1 81450 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,1,0,0,0,0|1,1,0]=4 214 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,1,0,0,0,0|1,1,0]=4 215 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,1,0,0,0,0|1,1,0]=4 216 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,1,0,0,0,0|1,1,0]=4 217 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,1,0,0,0,0|1,1,0]=4 218 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.8 CNCC1=CC=NO1 27030 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.8 NCCC1=CC=CN1 31556 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.8 NCCC1=CC=CN1 F10331 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.8 OCCC1=CC=CN1 AB10351 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.8 OCCC1=CC=CO1 W10532 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [1,1,0,0,0,0|0,1,0]=3 226 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,1,0,0,0,0|0,1,0]=3 227 B8R1.18 CC1=CC(N)=C(C)S1 86689 [1,1,0,0,0,0|0,1,0]=3 228 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [1,1,0,0,0,0|1,1,0]=4 229 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.18 CC1=NN(C)C=C1Cl 57531 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.18 CC1=NN(C)C=C1I C76091 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.18 CC1=NN(C)C=C1O F30460 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.50 CC1=CSC(C)=C1N AT16742 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [0,1,0,0,0,1|1,0,0]=3 237 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [0,1,0,0,0,1|1,0,0]=3 239 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,1,0,0,0,1|1,1,0]=4 242 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,1,0,0,0,1|1,1,0]=4 243 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,1,0,0,0,1|1,1,0]=4 244 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,1,0,0,0,1|1,1,0]=4 245 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,1,0,0,0,1|1,1,0]=4 246 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [0,1,0,0,0,1|1,1,0]=4 247 B10R1.3 COC1=NN=C(OC)C=C1 C75238 [0,1,0,0,0,1|1,1,0]=4 248 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.3 CSC1=CN=C(SC)N=C1 W16219 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,1|1,0,1]=4 255 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,1,0,0,0,1|1,1,0]=4 260 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,1,0,0,0,1|1,1,0]=4 261 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,1,0,0,0,1|1,1,0]=4 262 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,1,0,0,0,1|1,1,0]=4 263 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.25 CSC1=C(F)N=C(F)C=C1 D79861 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [0,1,0,0,0,1|1,1,0]=4 270 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,1,0,0,0,1|1,1,0]=4 271 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [0,1,0,0,0,1|1,1,0]=4 272 B10R1.176 CSC1=CN=C(Br)C(F)=C1 D79863 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 D79862 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 26737 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.2 COC1=NC=CC(C)=C1N 34938 [0,1,0,0,0,1|1,1,0]=4 276 B10R1.2 CSC1=CC=CC(Cl)=C1C F14681 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.8 CC1=CC(=O)C=C(CBr)O1 AT10856 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C75639 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.8 COC1=CC(=O)OC(C)=C1 A10838 [0,1,0,0,0,1|1,1,0]=4 281 B10R1.8 COC1=CC(Cl)=NC(C)=C1 A11697 [0,1,0,0,0,1|1,1,0]=4 282 B10R1.8 COC1=CC(Cl)=NC(C)=N1 36026 [0,1,0,0,0,1|1,1,0]=4 283 B10R1.8 COC1=NC(C)=CC(Br)=C1 C71306 [0,1,0,0,0,1|1,1,0]=4 284 B10R1.8 COC1=NC(C)=CC(Cl)=N1 C77332 [0,1,0,0,0,1|1,1,0]=4 285 B10R1.8 COC1=NC(C)=CC(N)=C1 F21240 [0,1,0,0,0,1|1,1,0]=4 286 B10R1.8 COC1=NC(C)=NC(C)=C1 C72587 [0,1,0,0,0,1|1,1,0]=4 287 B10R1.8 COC1=NC(C)=NC(N)=C1 D71931 [0,1,0,0,0,1|1,1,0]=4 288 B10R1.8 COC1=NC(N)=CC(C)=N1 C75435 [0,1,0,0,0,1|1,1,0]=4 289 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 P18328 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.8 CSC1=NC(N)=CC(C)=N1 C74284 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.8 CSC1=NC(O)=CC(Cl)=N1 81362 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.8 CSC1=NC(O)=NC(C)=C1 H10246 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,1,0,0,0,1|1,1,0]=4 295 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.30 COC1=C(Br)C=NC(C)=C1 N10207 [0,1,0,0,0,1|1,1,0]=4 304 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [0,1,0,0,0,1|1,1,0]=4 305 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,1,0,0,0,1|1,1,0]=4 306 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,1,0,0,0,1|1,1,0]=4 307 B10R1.30 COC1=NC(C)=NC=C1N C75487 [0,1,0,0,0,1|1,1,0]=4 308 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.30 CSC1=C(F)C=NC(Cl)=N1 P11955 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.30 CSC1=CC(Cl)=CN=C1Cl 79286 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.30 CSC1=CC(Cl)=NC=C1F D79860 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.172 C#CC1=CC=CC(SC)=C1 W13076 [0,1,0,0,0,1|1,0,1]=4 327 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.172 CCC1=CC=NC(CC)=N1 31687 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.172 CNC1=CC(OC)=NC=C1 F13448 [0,1,0,0,0,1|1,1,0]=4 330 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.172 CNC1=CC=NC(NC)=N1 C90554 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [0,1,0,0,0,1|1,1,0]=4 333 B10R1.172 COC1=CN=CC(CN)=C1 38429 [0,1,0,0,0,1|1,1,0]=4 334 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [0,1,0,0,0,1|1,1,0]=4 335 B10R1.172 COC1=CN=CC(OC)=C1 24562 [0,1,0,0,0,1|1,1,0]=4 336 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [0,1,0,0,0,1|1,1,0]=4 337 B10R1.172 COC1=NC(CN)=CC=N1 P10949 [0,1,0,0,0,1|1,1,0]=4 338 B10R1.172 COC1=NC(CN)=CC=N1 P16417 [0,1,0,0,0,1|1,1,0]=4 339 B10R1.172 COC1=NC(CN)=NC=C1 P15840 [0,1,0,0,0,1|1,1,0]=4 340 B10R1.172 COC1=NC(CO)=CC=N1 P12426 [0,1,0,0,0,1|1,1,0]=4 341 B10R1.172 COC1=NC=CC(CCl)=C1 82046 [0,1,0,0,0,1|1,1,0]=4 342 B10R1.172 COC1=NC=CC(CN)=C1 36533 [0,1,0,0,0,1|1,1,0]=4 343 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [0,1,0,0,0,1|1,1,0]=4 344 B10R1.172 CSC1=NC(C=O)=CC=N1 26756 [0,1,0,0,0,1|1,0,1]=4 345 B10R1.172 CSC1=NC(CN)=CC=N1 C72245 [0,1,0,0,0,1|1,0,0]=3 346 B10R1.172 CSC1=NC(NN)=CC=N1 F16827 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,2,0,0,0,0|1,0,0]=3 351 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,2,0,0,0,0|1,0,0]=3 352 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,2,0,0,0,0|1,0,0]=3 353 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,2,0,0,0,0|1,1,0]=4 355 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,2,0,0,0,0|1,1,0]=4 357 B10R1.54 CC1=CC=C(CN(C)C)O1 T71781 [0,2,0,0,0,0|1,0,0]=3 358 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,2,0,0,0,0|1,0,0]=3 359 B10R1.55 CC1=CC=C(C(F)(F)F)O1 30354 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)O1 AT17332 [0,2,0,0,0,0|1,0,1]=4 361 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,1,1,0,0|2,0,0]=4