0 B7R1.1 BrCC1=CSC=C1 B8083 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 BrCC1=CSC=C1 B8083 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.1 CCC1=NC=CN1 E1455 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 ClCC1=CSC=N1 C14673 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 ClCC1=CSC=N1 C14673 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 N#CC1=CC=CS1 T2218 [0,0,0,0,0,0|1,1,1]=3 8 B7R1.1 NCC1=CC=CO1 F2158 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.1 NCC1=CC=CS1 T3333 [0,0,0,0,0,0|1,1,0]=2 10 B7R1.1 NCC1=NC=CN1 I17075 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 NCC1=NC=CS1 A16694 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.1 NCC1=NNC=C1 P17146 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,0,0,0|1,0,2]=3 14 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,0,0,0|1,0,2]=3 15 B7R1.1 O=CC1=CC=CS1 T1387 [0,0,0,0,0,0|0,1,2]=3 16 B7R1.1 O=CC1=CN=CS1 T17632 [0,0,0,0,0,0|1,1,2]=4 17 B7R1.1 O=CC1=CNC=N1 I2653 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.1 O=CC1=CSC=N1 T17623 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.1 O=CC1=NC=CS1 T17639 [0,0,0,0,0,0|1,1,2]=4 20 B7R1.1 O=CC1=NNC=C1 M3639 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.1 OCC1=CN=CS1 H15363 [0,0,0,0,0,0|1,1,0]=2 22 B7R1.1 OCC1=CNC=N1 H11787 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 OCC1=CNC=N1 H4012 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 OCC1=NC=CN1 I14917 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 OCC1=NNC=C1 P17144 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.1 OCC1=NNC=C1 P17144 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 BrC1=CC=CS1 B7561 [1,0,0,0,0,0|1,1,0]=3 28 B6R1.2 BrC1=CNC=N1 B11785 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 BrC1=CSC=C1 B7562 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 BrC1=CSC=N1 B12641 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 BrC1=NC=CS1 B7609 [1,0,0,0,0,0|2,1,0]=4 32 B6R1.2 BrC1=NSC=C1 B19313 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 CC1=CNC=N1 M0110 [1,0,0,0,0,0|2,0,0]=3 34 B6R1.2 CC1=CON=C1 M14375 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 CC1=NC=CN1 M18847 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 CC1=NC=CS1 M17737 [1,0,0,0,0,0|1,1,0]=3 37 B6R1.2 CC1=NNC=N1 M07295 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 CC1=NNC=N1 M07295 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 IC1=CC=CS1 I3940 [1,0,0,0,0,0|1,1,0]=3 40 B6R1.2 IC1=CNC=N1 I4020 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 IC1=CNC=N1 I4020 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 NC1=CSC=N1 A19319 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 NC1=NC=CN1 A6573 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,0,0,0|1,0,2]=4 45 B6R1.2 O=C1C=CSN1 S19312 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.1 C(=O)C1=CC(Br)=CS1 B0240 [0,1,0,0,0,0|0,1,2]=4 47 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [0,1,0,0,0,0|0,1,2]=4 48 B8R1.1 CC1=NC(CO)=CN1 M14970 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.1 CC1=NC(CO)=CS1 M15583 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.1 CCC1=NC(C)=CN1 E1457 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.1 CCC1=NC(C)=CN1 E1887 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 CCC1=NC(C)=CS1 E0630 [0,1,0,0,0,0|2,1,0]=4 53 B8R1.1 CCC1=NNC(N)=C1 E16726 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.1 ClCC1=CC=C(Cl)S1 C17659 [0,1,0,0,0,0|1,1,0]=3 55 B8R1.1 ClCC1=CN=C(Cl)S1 C3368 [0,1,0,0,0,0|2,1,0]=4 56 B8R1.1 NC1=NC(CCl)=CS1 A17818 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,0,0,0|0,0,1]=2 58 B8R1.1 O=CC1=CC(Br)=CO1 B8008 [0,1,0,0,0,0|0,0,2]=3 59 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [0,1,0,0,0,0|0,0,2]=3 60 B8R1.1 O=CC1=CC=C(I)O1 I9961 [0,1,0,0,0,0|0,0,2]=3 61 B8R1.1 OCC1=NNC(Cl)=C1 C16998 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.7 CC(=O)C1=CC=CN1 A0582 [0,1,0,0,0,0|1,0,2]=4 63 B8R1.7 CC(=O)C1=CC=CO1 A1473 [0,1,0,0,0,0|0,0,2]=3 64 B8R1.7 CC(=O)C1=CC=CS1 A0583 [0,1,0,0,0,0|0,1,2]=4 65 B8R1.7 N=C(N)C1=CC=CO1 F13113 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,1,0,0,0,0|0,1,1]=3 67 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,1,0,0,0,0|0,1,1]=3 68 B8R1.7 O=C(O)C1=CN=CS1 T17631 [0,1,0,0,0,0|1,1,1]=4 69 B8R1.7 O=C(O)C1=CNC=C1 P7298 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.7 O=C(O)C1=CNC=C1 P7298 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.7 O=C(O)C1=CNC=N1 I11557 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.7 O=C(O)C1=CSC=N1 T11462 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.7 O=C(O)C1=NNC=C1 P4441 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.7 OB(O)C1=CC=CO1 F4005 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.7 OB(O)C1=CC=CS1 T4052 [0,1,0,0,0,0|1,1,0]=3 76 B8R1.7 OB(O)C1=COC=C1 F11654 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.7 OB(O)C1=CSC=C1 T4053 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.8 CCCC1=NC=CN1 P1456 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.8 CCCC1=NC=CN1 P1456 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.8 N#CCC1=CC=CS1 T5379 [0,1,0,0,0,0|1,1,0]=3 81 B8R1.8 N#CCC1=CSC=C1 T2219 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.8 N#CCC1=NNC=C1 P17143 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.8 NCCC1=CC=CS1 T0651 [0,1,0,0,0,0|1,1,0]=3 84 B8R1.8 NCCC1=CNC=N1 H2293 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.8 NCCC1=CNC=N1 H2389 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.8 NCCC1=CSC=C1 A18159 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.8 OCCC1=CC=CS1 T0443 [0,1,0,0,0,0|0,1,0]=2 88 B8R1.8 OCCC1=CNC=N1 I11788 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.8 OCCC1=CNC=N1 I11788 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.8 OCCN1C=CN=C1 H1461 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.8 OCCN1C=CN=N1 T7331 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.8 OCCN1C=NC=N1 H3669 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 BrCC1=C(Br)SC=C1 B18447 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [0,1,0,0,0,0|0,1,2]=4 95 B8R1.11 CC1=C(CO)N=CN1 M12810 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.11 CC1=C(CO)NC=N1 M5101 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.11 ClC1=C(CBr)C=CS1 C11658 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.11 N#CC1=C(Br)C=CS1 B3798 [0,1,0,0,0,0|1,1,1]=4 99 B8R1.11 NCC1=C(Br)SC=C1 B8668 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.11 O=CC1=C(Br)C=CS1 B8637 [0,1,0,0,0,0|0,1,2]=4 101 B6R0.1 C=CC\C(N)=N\O H13122 [0,0,1,0,0,0|2,0,1]=4 102 B8R1.2 C#CC1=CC=CC=C1 P18887 [0,0,0,0,0,1|2,0,1]=4 103 B8R1.2 C#CC1=CC=NC=C1 E11459 [0,0,0,0,0,1|2,0,1]=4 104 B8R1.2 C#CC1=CC=NC=C1 E11459 [0,0,0,0,0,1|2,0,1]=4 105 B8R1.2 C#CC1=CN=CC=C1 E11458 [0,0,0,0,0,1|2,0,1]=4 106 B8R1.2 C#CC1=NC=CC=C1 E11413 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.2 C(=O)C1=CC=CN=C1 P11581 [0,0,0,0,0,1|1,0,2]=4 108 B8R1.2 C(=O)C1=CC=NC=C1 P11582 [0,0,0,0,0,1|1,0,2]=4 109 B8R1.2 C=CC1=NC=CN=C1 V13362 [0,0,0,0,0,1|2,0,1]=4 110 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [0,0,0,0,0,1|3,0,0]=4 111 B8R1.2 COC1=CC=NC=C1 M3232 [0,0,0,0,0,1|3,0,0]=4 112 B8R1.2 COC1=CC=NC=C1 M3232 [0,0,0,0,0,1|3,0,0]=4 113 B8R1.2 ClCC1=CC=CN=C1 C1770 [0,0,0,0,0,1|2,0,0]=3 114 B8R1.2 ClCC1=CC=NC=C1 C2804 [0,0,0,0,0,1|2,0,0]=3 115 B8R1.2 ClCC1=NC=CC=C1 C5538 [0,0,0,0,0,1|2,0,0]=3 116 B8R1.2 ClCC1=NC=CC=N1 C13629 [0,0,0,0,0,1|2,0,0]=3 117 B8R1.2 ClCC1=NC=CC=N1 C13629 [0,0,0,0,0,1|2,0,0]=3 118 B8R1.2 N#CC1=CC=CN=C1 C2747 [0,0,0,0,0,1|2,0,1]=4 119 B8R1.2 N#CC1=NC=CC=N1 C2476 [0,0,0,0,0,1|2,0,1]=4 120 B8R1.2 NCC1=CC=CN=C1 P2319 [0,0,0,0,0,1|2,0,0]=3 121 B8R1.2 NCC1=NC=CC=N1 A13173 [0,0,0,0,0,1|2,0,0]=3 122 B8R1.2 NNC1=NC=CC=N1 H19148 [0,0,0,0,0,1|3,0,0]=4 123 B8R1.2 OCC1=CN=CN=C1 P17132 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.2 OCC1=NC=CC=C1 P1495 [0,0,0,0,0,1|1,0,0]=2 125 B8R1.2 OCC1=NC=CC=N1 P17605 [0,0,0,0,0,1|1,0,0]=2 126 B8R1.2 OCC1=NC=NC=C1 P14938 [0,0,0,0,0,1|1,0,0]=2 127 B5R0.3 C=C[C@H](N)CO A18275 [1,0,1,0,0,0|1,0,1]=4 128 B5R1.1 C1=CNC=N1 I18837 [2,0,0,0,0,0|2,0,0]=4 129 B5R1.1 C1=CON=C1 I12950 [2,0,0,0,0,0|1,0,0]=3 130 B7R1.2 BrC1=CC=C(Br)S1 D0151 [1,1,0,0,0,0|1,1,0]=4 131 B7R1.2 CC1=CC(=O)NN1 M2903 [1,1,0,0,0,0|2,0,0]=4 132 B7R1.2 CC1=CC(Br)=CS1 B8084 [1,1,0,0,0,0|0,1,0]=3 133 B7R1.2 CC1=CC(N)=NO1 A0141 [1,1,0,0,0,0|1,0,0]=3 134 B7R1.2 CC1=CC=C(Br)S1 B3937 [1,1,0,0,0,0|0,1,0]=3 135 B7R1.2 CC1=CC=C(C)N1 D1487 [1,1,0,0,0,0|1,0,0]=3 136 B7R1.2 CC1=CC=C(C)S1 P14109 [1,1,0,0,0,0|0,1,0]=3 137 B7R1.2 CC1=CN=C(Cl)S1 C3520 [1,1,0,0,0,0|1,1,0]=4 138 B7R1.2 CC1=CN=C(N)S1 A0591 [1,1,0,0,0,0|1,1,0]=4 139 B7R1.2 CC1=CNC(C)=N1 D12856 [1,1,0,0,0,0|2,0,0]=4 140 B7R1.2 CC1=CSC(N)=N1 A5326 [1,1,0,0,0,0|2,0,0]=4 141 B7R1.2 CC1=NC(Br)=CN1 B7504 [1,1,0,0,0,0|2,0,0]=4 142 B7R1.2 CC1=NC(I)=CN1 M4036 [1,1,0,0,0,0|2,0,0]=4 143 B7R1.2 CN1C=C(Br)C=N1 B18453 [1,1,0,0,0,0|2,0,0]=4 144 B7R1.2 ClC1=CC=C(Br)S1 B3948 [1,1,0,0,0,0|1,1,0]=4 145 B7R1.2 ClC1=CC=C(Cl)S1 D1586 [1,1,0,0,0,0|1,1,0]=4 146 B7R1.2 O=C1C=CC(=O)N1 M17760 [1,1,0,0,0,0|1,0,1]=4 147 B7R1.4 BrC1=C(Br)SC=C1 D3934 [1,1,0,0,0,0|1,1,0]=4 148 B7R1.4 CC1=C(Br)SC=C1 B5335 [1,1,0,0,0,0|1,1,0]=4 149 B7R1.4 CC1=C(C)SC=N1 D0729 [1,1,0,0,0,0|1,1,0]=4 150 B7R1.4 CC1=C(Cl)SC=C1 C1192 [1,1,0,0,0,0|1,1,0]=4 151 B7R1.4 CC1=NNC=C1Br B7502 [1,1,0,0,0,0|2,0,0]=4 152 B7R1.4 CN1SC=CC1=O M5023 [1,1,0,0,0,0|1,1,0]=4 153 B7R1.4 ClC1=C(Br)C=CS1 B8915 [1,1,0,0,0,0|1,1,0]=4 154 B9R1.1 BrCC1=CC=C(Br)C=C1 B12509 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.1 CC1=NC=C(CO)C=N1 M17093 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.1 CCC1=CC=C(Br)C=C1 B8398 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.1 ClC1=CC=C(CBr)C=C1 C9247 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.1 ClCC1=CC=C(Br)C=C1 B4168 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.1 ClCC1=CN=C(Cl)C=C1 C0611 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 FC1=CC=C(CBr)C=C1 F8550 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.1 FC1=CC=C(CCl)C=C1 F5018 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.1 FC1=CC=C(CS)C=C1 F3880 [0,1,0,0,0,1|1,1,0]=4 165 B9R1.1 NCC1=CC=C(Br)C=C1 B9996 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.1 NCC1=CC=C(O)C=C1 H9189 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.1 NCC1=CN=C(N)C=C1 A14418 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.1 NCC1=CNC(=O)C=C1 A18120 [0,1,0,0,0,1|2,0,0]=4 171 B9R1.1 O=C1C=CC(CO)=CN1 H11547 [0,1,0,0,0,1|1,0,0]=3 172 B9R1.1 OCC1=CC=C(Br)C=C1 B4308 [0,1,0,0,0,1|1,0,0]=3 173 B9R1.1 OCC1=CC=C(F)C=C1 F11143 [0,1,0,0,0,1|1,0,0]=3 174 B9R1.1 OCC1=CN=C(Cl)C=C1 C1155 [0,1,0,0,0,1|1,0,0]=3 175 B9R1.1 OCC1=NC=C(Br)C=C1 B8505 [0,1,0,0,0,1|1,0,0]=3 176 B9R1.1 SCC1=CC=C(Br)C=C1 B9153 [0,1,0,0,0,1|1,1,0]=4 177 B9R1.2 BrCC1=CC=CC(Br)=C1 B1306 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.2 BrCC1=NC(Br)=CC=C1 B12644 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.2 CC1=CC(CN)=CC=C1 M4304 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.2 CC1=CC=CC(CO)=N1 M11438 [0,1,0,0,0,1|1,0,0]=3 181 B9R1.2 CCC1=CC(N)=NC=C1 A13449 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.2 CCC1=CC(O)=CC=C1 E18807 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.2 CCC1=CC=CC(Br)=C1 B8399 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.2 ClC1=CC(CBr)=CC=C1 C9245 [0,1,0,0,0,1|2,0,0]=4 185 B9R1.2 FC1=CC(CBr)=CC=C1 F0983 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.2 FC1=CC(CBr)=CC=C1 F0983 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 NC1=NC=CC(CO)=C1 A13817 [0,1,0,0,0,1|1,0,0]=3 188 B9R1.2 NCC1=CC=CC(Br)=C1 B9995 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 NCC1=CC=CC(Cl)=C1 C4293 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 NCC1=CC=CN(=O)=C1 A18259 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.2 NCC1=NC(Br)=CC=C1 B0272 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.2 OCC1=CC(Br)=CN=C1 B2855 [0,1,0,0,0,1|1,0,0]=3 193 B9R1.2 OCC1=CC(Cl)=NC=C1 C14253 [0,1,0,0,0,1|1,0,0]=3 194 B9R1.2 OCC1=CC=CC(F)=C1 F0982 [0,1,0,0,0,1|1,0,0]=3 195 B9R1.2 OCC1=NC(Br)=CC=C1 B8506 [0,1,0,0,0,1|1,0,0]=3 196 B9R1.2 SCC1=CC=CC(Br)=C1 B9154 [0,1,0,0,0,1|1,1,0]=4 197 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [0,1,0,0,0,1|1,0,1]=4 200 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [0,1,0,0,0,1|1,0,1]=4 201 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [0,1,0,0,0,1|1,0,1]=4 202 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [0,1,0,0,0,1|1,0,1]=4 203 B9R1.6 O=C(O)C1=NC=CC=N1 P12246 [0,1,0,0,0,1|1,0,1]=4 204 B9R1.6 O=C(O)C1=NC=CN=C1 P4976 [0,1,0,0,0,1|1,0,1]=4 205 B9R1.6 O=C(O)C1=NC=NC=C1 P12243 [0,1,0,0,0,1|1,0,1]=4 206 B9R1.6 OB(O)C1=CC=CC=C1 N2145 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.6 OB(O)C1=CC=CC=N1 P4048 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.6 OB(O)C1=CC=CN=C1 P4049 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.6 OB(O)C1=CC=CN=C1 P4049 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.6 OB(O)C1=CC=NC=C1 P2873 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.8 BrCCC1=CC=CC=C1 B1499 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.8 BrCCC1=NC=CC=C1 B18468 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.8 CNCC1=CC=CC=C1 C12471 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.8 CNCC1=CN=CC=C1 M13405 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.8 NCCC1=CC=CC=C1 P18797 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.8 NCCC1=CC=CC=C1 P19425 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.8 NCCC1=CC=CC=N1 P3233 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.8 NCCC1=CC=CN=C1 A18111 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.8 NCCC1=CC=NC=C1 A18195 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.8 NCCC1=CN=CC=C1 A12910 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.8 NNCC1=CC=CC=C1 B8798 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,1,0,0,0,1|1,0,0]=3 223 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,1,0,0,0,1|1,0,0]=3 224 B9R1.8 OCCC1=NC=CC=C1 P0121 [0,1,0,0,0,1|1,0,0]=3 225 B9R1.8 OCCC1=NC=CN=C1 H13361 [0,1,0,0,0,1|1,0,0]=3 226 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [0,1,0,0,0,1|1,0,1]=4 227 B9R1.15 BrCC1=C(Br)C=CC=C1 B0602 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.15 CC1=C(CN)C=CN=C1 A13473 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.15 CC1=CC=CN=C1CN A13472 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.15 CC1=CC=CN=C1CO H13471 [0,1,0,0,0,1|1,0,0]=3 231 B9R1.15 CCC1=C(F)C=NC=N1 E4322 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.15 CCC1=CC=CC=C1Cl C0487 [0,1,0,0,0,1|2,0,0]=4 233 B9R1.15 CCC1=NC=CN=C1Cl C3829 [0,1,0,0,0,1|2,0,0]=4 234 B9R1.15 ClCC1=C(Cl)C=CC=C1 C18855 [0,1,0,0,0,1|2,0,0]=4 235 B9R1.15 FC1=CC=CC=C1CBr F4170 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.15 NC1=C(CO)C=CN=C1 A14447 [0,1,0,0,0,1|1,0,0]=3 237 B9R1.15 NC1=C(CO)C=NC=C1 A14446 [0,1,0,0,0,1|1,0,0]=3 238 B9R1.15 NC1=CC=CC=C1CO A18123 [0,1,0,0,0,1|1,0,0]=3 239 B9R1.15 NC1=NC=CC=C1CO A11759 [0,1,0,0,0,1|1,0,0]=3 240 B9R1.15 NCC1=CC=CC=C1Br B9994 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.15 NCC1=CC=CC=C1Cl C0974 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.15 NCC1=CC=CC=C1F F2669 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.15 NCC1=CC=CC=C1N A18056 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.15 NCC1=CC=CN=C1Cl A17808 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.15 NCC1=NC=CC=C1F A11835 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.15 OCC1=CC=CC=C1Br B4306 [0,1,0,0,0,1|1,0,0]=3 247 B9R1.15 OCC1=CC=CC=C1Cl C0385 [0,1,0,0,0,1|1,0,0]=3 248 B9R1.15 OCC1=CC=CC=C1F F11142 [0,1,0,0,0,1|1,0,0]=3 249 B9R1.15 OCC1=CC=CN=C1Cl C15615 [0,1,0,0,0,1|1,0,0]=3 250 B9R1.15 OCC1=NC=CC=C1O H16739 [0,1,0,0,0,1|1,0,0]=3 251 B9R1.15 SCC1=CC=CC=C1Br B3883 [0,1,0,0,0,1|1,1,0]=4 252 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [0,2,0,0,0,0|0,0,0]=2 253 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [0,2,0,0,0,0|0,0,0]=2 254 B9R1.21 CCC1=NC=C(CO)N1 E14801 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.22 CC1=C(CBr)OC(=O)O1 B11099 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.22 CC1=C(CCl)OC(=O)O1 M12377 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.22 CC1=C(CCl)OC(=O)O1 M12377 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.35 FC(F)C1=CC(Br)=CS1 B9582 [0,2,0,0,0,0|1,1,0]=4 259 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 B9426 [0,2,0,0,0,0|0,0,2]=4 260 B9R1.35 O=C(O)C1=CC(Br)=CN1 B15071 [0,2,0,0,0,0|1,0,1]=4 261 B9R1.35 O=C(O)C1=CC(Br)=CS1 B18451 [0,2,0,0,0,0|0,1,1]=4 262 B9R1.35 O=C(O)C1=CC=C(Br)O1 B8631 [0,2,0,0,0,0|0,0,1]=3 263 B9R1.35 O=C(O)C1=CC=C(Br)S1 B9313 [0,2,0,0,0,0|0,1,1]=4 264 B9R1.35 OB(O)C1=CC=C(Cl)S1 C3847 [0,2,0,0,0,0|1,1,0]=4 265 B9R1.11 CCC(=O)C1=CC=CS1 T3339 [0,2,0,0,0,0|1,1,0]=4 266 B9R1.11 N\C(=N\O)C1=CC=CO1 H13971 [0,2,0,0,0,0|0,0,1]=3 267 B9R1.11 O=C(CBr)C1=CC=CS1 B4897 [0,2,0,0,0,0|1,1,0]=4 268 B9R1.41 CC1=C(C(=N)N)OC=C1 M16880 [0,2,0,0,0,0|1,0,1]=4 269 B9R1.41 CC1=C(C(=O)O)SC=C1 M0715 [0,2,0,0,0,0|0,1,1]=4 270 B9R1.41 CN1C=CC=C1C(=O)O M16979 [0,2,0,0,0,0|1,0,1]=4 271 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [0,2,0,0,0,0|0,1,1]=4 272 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [0,2,0,0,0,0|0,1,1]=4 273 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C7552 [0,2,0,0,0,0|0,1,1]=4 274 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,2,0,0,0,0|1,1,0]=4 275 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,2,0,0,0,0|0,1,1]=4 276 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,2,0,0,0,0|0,1,0]=3 277 B9R1.13 O=C(O)CC1=CNC=N1 I7550 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.13 O=C(O)CC1=COC=C1 F15733 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.13 O=C(O)CC1=CSC=C1 T5371 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.13 O=C(O)CC1=CSC=N1 T17624 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.33 CC1=C(CCO)SC=N1 M0369 [0,2,0,0,0,0|1,1,0]=4 282 B9R1.33 CCOC1=C(C)N=CO1 M6716 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.33 CN1C=CC=C1CC#N M0836 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.33 NC1=CC=NN1CCO P6771 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.33 NC1=CC=NN1CCO P6771 [0,2,0,0,0,0|2,0,0]=4 286 B7R1.3 OC1=NC=CC=C1 H5719 [0,0,1,1,0,0|2,0,0]=4 287 B5R1.3 OC[C@@H]1CO1 G4757 [0,0,0,0,2,0|0,0,2]=4 288 B5R1.3 OC[C@H]1CO1 G4756 [0,0,0,0,2,0|0,0,2]=4 289 B5R1.3 OC[C@H]1CO1 G4756 [0,0,0,0,2,0|0,0,2]=4