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|3,0,1]=4 3 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 CCC1=NC=CN1 E1455 [0,0,0,0,0,0|2,0,0]=2 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|2,0,1]=3 14 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.1 O=CC1=CC=CS1 T1387 [0,0,0,0,0,0|1,1,1]=3 16 B7R1.1 O=CC1=CN=CS1 T17632 [0,0,0,0,0,0|2,1,1]=4 17 B7R1.1 O=CC1=CNC=N1 I2653 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 O=CC1=CSC=N1 T17623 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 O=CC1=NC=CS1 T17639 [0,0,0,0,0,0|2,1,1]=4 20 B7R1.1 O=CC1=NNC=C1 M3639 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 OCC1=CN=CS1 H15363 [0,0,0,0,0,0|2,1,0]=3 22 B7R1.1 OCC1=CNC=N1 H11787 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.1 OCC1=CNC=N1 H4012 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 OCC1=NC=CN1 I14917 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.1 OCC1=NNC=C1 P17144 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 OCC1=NNC=C1 P17144 [0,0,0,0,0,0|3,0,0]=3 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|2,0,1]=4 45 B6R1.2 O=C1C=CSN1 S19312 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.1 C(=O)C1=CC(Br)=CS1 B0240 [0,1,0,0,0,0|1,1,1]=4 47 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [0,1,0,0,0,0|1,1,1]=4 48 B8R1.1 CC1=NC(CO)=CN1 M14970 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 CC1=NC(CO)=CS1 M15583 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 CCC1=NC(C)=CN1 E1457 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.1 CCC1=NC(C)=CN1 E1887 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.1 CCC1=NC(C)=CS1 E0630 [0,1,0,0,0,0|1,1,0]=3 53 B8R1.1 CCC1=NNC(N)=C1 E16726 [0,1,0,0,0,0|2,0,0]=3 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|1,0,1]=3 58 B8R1.1 O=CC1=CC(Br)=CO1 B8008 [0,1,0,0,0,0|1,0,1]=3 59 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [0,1,0,0,0,0|1,0,1]=3 60 B8R1.1 O=CC1=CC=C(I)O1 I9961 [0,1,0,0,0,0|1,0,1]=3 61 B8R1.1 OCC1=NNC(Cl)=C1 C16998 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.7 CC(=O)C1=CC=CN1 A0582 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.7 CC(=O)C1=CC=CO1 A1473 [0,1,0,0,0,0|0,0,1]=2 64 B8R1.7 CC(=O)C1=CC=CS1 A0583 [0,1,0,0,0,0|0,1,1]=3 65 B8R1.7 CC(=O)C1=CNC=C1 P7297 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.7 CC(=O)C1=NC=CS1 A1214 [0,1,0,0,0,0|1,1,1]=4 67 B8R1.7 N=C(N)C1=CC=CO1 F13113 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,1,0,0,0,0|1,1,1]=4 69 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,1,0,0,0,0|1,1,1]=4 70 B8R1.7 OB(O)C1=CC=CO1 F4005 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.7 OB(O)C1=CC=CS1 T4052 [0,1,0,0,0,0|2,1,0]=4 72 B8R1.8 CCCC1=NC=CN1 P1456 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.8 CCCC1=NC=CN1 P1456 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.8 N#CCC1=CC=CS1 T5379 [0,1,0,0,0,0|0,1,1]=3 75 B8R1.8 N#CCC1=CSC=C1 T2219 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.8 N#CCC1=NNC=C1 P17143 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.8 NCCC1=CC=CS1 T0651 [0,1,0,0,0,0|0,1,0]=2 78 B8R1.8 NCCC1=CNC=N1 H2293 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.8 NCCC1=CNC=N1 H2389 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.8 NCCC1=CSC=C1 A18159 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.8 NCCN1C=CN=C1 E19344 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.8 NCCN1C=CN=C1 I12545 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.8 OCCC1=CC=CS1 T0443 [0,1,0,0,0,0|0,1,0]=2 84 B8R1.8 OCCC1=CNC=N1 I11788 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.8 OCCC1=CNC=N1 I11788 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.8 OCCN1C=CN=C1 H1461 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.8 OCCN1C=CN=N1 T7331 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.8 OCCN1C=NC=N1 H3669 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.11 BrCC1=C(Br)SC=C1 B18447 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [0,1,0,0,0,0|1,1,1]=4 91 B8R1.11 CC1=C(CO)N=CN1 M12810 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.11 CC1=C(CO)NC=N1 M5101 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 CSC1=C(C)OC=C1 M6703 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 ClC1=C(CBr)C=CS1 C11658 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.11 N#CC1=C(Br)C=CS1 B3798 [0,1,0,0,0,0|1,1,1]=4 96 B8R1.11 NCC1=C(Br)SC=C1 B8668 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.11 O=CC1=C(Br)C=CS1 B8637 [0,1,0,0,0,0|1,1,1]=4 98 B8R1.2 C#CC1=CC=CC=C1 P18887 [0,0,0,0,0,1|1,0,2]=4 99 B8R1.2 C#CC1=CC=NC=C1 E11459 [0,0,0,0,0,1|1,0,2]=4 100 B8R1.2 C#CC1=CC=NC=C1 E11459 [0,0,0,0,0,1|1,0,2]=4 101 B8R1.2 C#CC1=CN=CC=C1 E11458 [0,0,0,0,0,1|1,0,2]=4 102 B8R1.2 C#CC1=NC=CC=C1 E11413 [0,0,0,0,0,1|1,0,2]=4 103 B8R1.2 C(=O)C1=CC=CN=C1 P11581 [0,0,0,0,0,1|2,0,1]=4 104 B8R1.2 C(=O)C1=CC=NC=C1 P11582 [0,0,0,0,0,1|2,0,1]=4 105 B8R1.2 C=CC1=NC=CN=C1 V13362 [0,0,0,0,0,1|1,0,2]=4 106 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [0,0,0,0,0,1|2,0,0]=3 107 B8R1.2 COC1=CC=NC=C1 M3232 [0,0,0,0,0,1|2,0,0]=3 108 B8R1.2 COC1=CC=NC=C1 M3232 [0,0,0,0,0,1|2,0,0]=3 109 B8R1.2 ClCC1=CC=CN=C1 C1770 [0,0,0,0,0,1|2,0,0]=3 110 B8R1.2 ClCC1=CC=NC=C1 C2804 [0,0,0,0,0,1|2,0,0]=3 111 B8R1.2 ClCC1=NC=CC=C1 C5538 [0,0,0,0,0,1|2,0,0]=3 112 B8R1.2 ClCC1=NC=CC=N1 C13629 [0,0,0,0,0,1|2,0,0]=3 113 B8R1.2 ClCC1=NC=CC=N1 C13629 [0,0,0,0,0,1|2,0,0]=3 114 B8R1.2 N#CC1=CC=CN=C1 C2747 [0,0,0,0,0,1|2,0,1]=4 115 B8R1.2 N#CC1=NC=CC=N1 C2476 [0,0,0,0,0,1|2,0,1]=4 116 B8R1.2 NCC1=CC=CN=C1 P2319 [0,0,0,0,0,1|2,0,0]=3 117 B8R1.2 NCC1=NC=CC=N1 A13173 [0,0,0,0,0,1|2,0,0]=3 118 B8R1.2 NNC1=NC=CC=N1 H19148 [0,0,0,0,0,1|3,0,0]=4 119 B8R1.2 OCC1=CN=CN=C1 P17132 [0,0,0,0,0,1|3,0,0]=4 120 B8R1.2 OCC1=NC=CC=C1 P1495 [0,0,0,0,0,1|2,0,0]=3 121 B8R1.2 OCC1=NC=CC=N1 P17605 [0,0,0,0,0,1|2,0,0]=3 122 B8R1.2 OCC1=NC=NC=C1 P14938 [0,0,0,0,0,1|2,0,0]=3 123 B5R1.1 C1=CNC=N1 I18837 [2,0,0,0,0,0|2,0,0]=4 124 B5R1.1 C1=CON=C1 I12950 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.4 CCO\C=C\C(=N)N E16866 [0,1,1,0,0,0|2,0,0]=4 126 B7R1.2 BrC1=CC=C(Br)S1 D0151 [1,1,0,0,0,0|1,1,0]=4 127 B7R1.2 CC1=CC(=O)NN1 M2903 [1,1,0,0,0,0|2,0,0]=4 128 B7R1.2 CC1=CC(Br)=CS1 B8084 [1,1,0,0,0,0|0,1,0]=3 129 B7R1.2 CC1=CC(N)=NO1 A0141 [1,1,0,0,0,0|1,0,0]=3 130 B7R1.2 CC1=CC=C(Br)S1 B3937 [1,1,0,0,0,0|0,1,0]=3 131 B7R1.2 CC1=CC=C(C)N1 D1487 [1,1,0,0,0,0|1,0,0]=3 132 B7R1.2 CC1=CC=C(C)S1 P14109 [1,1,0,0,0,0|0,1,0]=3 133 B7R1.2 CC1=CN=C(Cl)S1 C3520 [1,1,0,0,0,0|1,1,0]=4 134 B7R1.2 CC1=CN=C(N)S1 A0591 [1,1,0,0,0,0|1,1,0]=4 135 B7R1.2 CC1=CNC(C)=N1 D12856 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.2 CC1=CSC(N)=N1 A5326 [1,1,0,0,0,0|2,0,0]=4 137 B7R1.2 CC1=NC(Br)=CN1 B7504 [1,1,0,0,0,0|2,0,0]=4 138 B7R1.2 CC1=NC(I)=CN1 M4036 [1,1,0,0,0,0|2,0,0]=4 139 B7R1.2 CN1C=C(Br)C=N1 B18453 [1,1,0,0,0,0|2,0,0]=4 140 B7R1.2 ClC1=CC=C(Br)S1 B3948 [1,1,0,0,0,0|1,1,0]=4 141 B7R1.2 ClC1=CC=C(Cl)S1 D1586 [1,1,0,0,0,0|1,1,0]=4 142 B7R1.2 O=C1C=CC(=O)N1 M17760 [1,1,0,0,0,0|2,0,0]=4 143 B7R1.4 BrC1=C(Br)SC=C1 D3934 [1,1,0,0,0,0|1,1,0]=4 144 B7R1.4 CC1=C(Br)SC=C1 B5335 [1,1,0,0,0,0|1,1,0]=4 145 B7R1.4 CC1=C(C)SC=N1 D0729 [1,1,0,0,0,0|1,1,0]=4 146 B7R1.4 CC1=C(Cl)SC=C1 C1192 [1,1,0,0,0,0|1,1,0]=4 147 B7R1.4 CC1=NNC=C1Br B7502 [1,1,0,0,0,0|2,0,0]=4 148 B7R1.4 CN1SC=CC1=O M5023 [1,1,0,0,0,0|1,1,0]=4 149 B7R1.4 ClC1=C(Br)C=CS1 B8915 [1,1,0,0,0,0|1,1,0]=4 150 B9R1.1 BrCC1=CC=C(Br)C=C1 B12509 [0,1,0,0,0,1|2,0,0]=4 151 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [0,1,0,0,0,1|2,0,0]=4 152 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.1 CCC1=CC=C(Br)C=C1 B8398 [0,1,0,0,0,1|1,0,0]=3 154 B9R1.1 CCC1=CN=C(Cl)N=C1 C3173 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.1 CNC1=CC=C(Br)C=C1 B8439 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.1 CNC1=CC=C(N)C=C1 M8801 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.1 COC1=CC=C(F)C=C1 F0756 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.1 COC1=CC=C(N)N=N1 A12534 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.1 COC1=CC=C(O)C=C1 M0306 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.1 COC1=CC=C(O)C=C1 M0306 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.1 COC1=CC=C(S)C=C1 M0764 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 COC1=CN=C(N)C=C1 A18252 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.1 COC1=NC=C(Br)C=C1 B2938 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.1 COC1=NC=C(Br)C=N1 B11790 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.1 COC1=NC=C(N)C=C1 A1857 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.1 COC1=NC=C(O)C=C1 H14190 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.1 CSC1=CC=C(C)C=C1 M3899 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.1 CSC1=CC=C(F)C=C1 F3886 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.1 ClC1=CC=C(CBr)C=C1 C9247 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.1 ClCC1=CC=C(Br)C=C1 B4168 [0,1,0,0,0,1|2,0,0]=4 171 B9R1.1 ClCC1=CN=C(Cl)C=C1 C0611 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.1 FC1=CC=C(CBr)C=C1 F8550 [0,1,0,0,0,1|2,0,0]=4 173 B9R1.1 FC1=CC=C(CCl)C=C1 F5018 [0,1,0,0,0,1|2,0,0]=4 174 B9R1.1 FC1=CC=C(CS)C=C1 F3880 [0,1,0,0,0,1|2,0,0]=4 175 B9R1.1 NCC1=CC=C(Br)C=C1 B9996 [0,1,0,0,0,1|2,0,0]=4 176 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.1 NCC1=CC=C(O)C=C1 H9189 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.1 NCC1=CN=C(N)C=C1 A14418 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.1 NCC1=CNC(=O)C=C1 A18120 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.1 O=C1C=CC(CO)=CN1 H11547 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.1 OCC1=CC=C(Br)C=C1 B4308 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.1 OCC1=CC=C(F)C=C1 F11143 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.1 OCC1=CN=C(Cl)C=C1 C1155 [0,1,0,0,0,1|2,0,0]=4 185 B9R1.1 OCC1=NC=C(Br)C=C1 B8505 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.1 SCC1=CC=C(Br)C=C1 B9153 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 BrCC1=CC=CC(Br)=C1 B1306 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 BrCC1=NC(Br)=CC=C1 B12644 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 CC1=CC(CN)=CC=C1 M4304 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 CC1=CC=CC(CO)=N1 M11438 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.2 CCC1=CC(N)=NC=C1 A13449 [0,1,0,0,0,1|1,0,0]=3 192 B9R1.2 CCC1=CC(O)=CC=C1 E18807 [0,1,0,0,0,1|1,0,0]=3 193 B9R1.2 CCC1=CC=CC(Br)=C1 B8399 [0,1,0,0,0,1|1,0,0]=3 194 B9R1.2 CNC1=CC(Br)=CC=C1 B18336 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.2 COC1=CC(N)=NC=C1 A11779 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.2 COC1=CC(N)=NC=C1 A11779 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.2 COC1=CC=CC(Br)=C1 B8466 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.2 COC1=CC=CC(Br)=N1 B11416 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.2 COC1=CC=CC(F)=C1 F0055 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.2 COC1=CC=CC(N)=C1 M18773 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.2 COC1=CC=CC(N)=N1 M0099 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.2 COC1=CN=CC(Br)=C1 B11442 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.2 COC1=CN=CC(Cl)=C1 C17302 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.2 COC1=CN=CC(N)=C1 M11541 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.2 COC1=NC(C)=CC=C1 M2706 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.2 COC1=NC(C)=CC=C1 M2706 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.2 COC1=NC(Cl)=CC=C1 C2489 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.2 COC1=NC=CC(C)=C1 M11590 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.2 COC1=NC=CC(C)=N1 M11332 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.2 COC1=NC=CC(N)=C1 A18270 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.2 COC1=NC=NC(N)=C1 M3752 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.2 CSC1=CC(I)=CC=C1 I3898 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.2 CSC1=CC(N)=CC=C1 M0686 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.2 CSC1=CC=CC(Br)=C1 B0981 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.2 CSC1=CC=CC(Cl)=C1 C3887 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.2 CSC1=CC=CC(F)=C1 F3895 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.2 CSC1=NC=CC(=O)N1 M5869 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.2 CSC1=NC=CC(=O)N1 M5869 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.2 ClC1=CC(CBr)=CC=C1 C9245 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.2 FC1=CC(CBr)=CC=C1 F0983 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.2 FC1=CC(CBr)=CC=C1 F0983 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.2 NC1=NC=CC(CO)=C1 A13817 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.2 NCC1=CC=CC(Br)=C1 B9995 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.2 NCC1=CC=CC(Cl)=C1 C4293 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.2 NCC1=CC=CN(=O)=C1 A18259 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.2 NCC1=NC(Br)=CC=C1 B0272 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.2 OCC1=CC(Br)=CN=C1 B2855 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.2 OCC1=CC(Cl)=NC=C1 C14253 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.2 OCC1=CC=CC(F)=C1 F0982 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.2 OCC1=NC(Br)=CC=C1 B8506 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.2 SCC1=CC=CC(Br)=C1 B9154 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [0,1,0,0,0,1|1,0,1]=4 233 B9R1.6 CC(=O)C1=CN=CC=N1 A0581 [0,1,0,0,0,1|1,0,1]=4 234 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [0,1,0,0,0,1|1,0,1]=4 235 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [0,1,0,0,0,1|1,0,0]=3 237 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [0,1,0,0,0,1|1,0,0]=3 238 B9R1.8 BrCCC1=CC=CC=C1 B1499 [0,1,0,0,0,1|1,0,0]=3 239 B9R1.8 BrCCC1=NC=CC=C1 B18468 [0,1,0,0,0,1|1,0,0]=3 240 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.8 CNCC1=CC=CC=C1 C12471 [0,1,0,0,0,1|1,0,0]=3 242 B9R1.8 CNCC1=CN=CC=C1 M13405 [0,1,0,0,0,1|1,0,0]=3 243 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [0,1,0,0,0,1|1,0,1]=4 244 B9R1.8 NCCC1=CC=CC=C1 P18797 [0,1,0,0,0,1|1,0,0]=3 245 B9R1.8 NCCC1=CC=CC=C1 P19425 [0,1,0,0,0,1|1,0,0]=3 246 B9R1.8 NCCC1=CC=CC=N1 P3233 [0,1,0,0,0,1|1,0,0]=3 247 B9R1.8 NCCC1=CC=CN=C1 A18111 [0,1,0,0,0,1|1,0,0]=3 248 B9R1.8 NCCC1=CC=NC=C1 A18195 [0,1,0,0,0,1|1,0,0]=3 249 B9R1.8 NCCC1=CN=CC=C1 A12910 [0,1,0,0,0,1|1,0,0]=3 250 B9R1.8 NNCC1=CC=CC=C1 B8798 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.8 NOCC1=CC=CC=C1 B7490 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.8 OCCC1=NC=CC=C1 P0121 [0,1,0,0,0,1|1,0,0]=3 254 B9R1.8 OCCC1=NC=CN=C1 H13361 [0,1,0,0,0,1|1,0,0]=3 255 B9R1.15 BrCC1=C(Br)C=CC=C1 B0602 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.15 CC1=C(CN)C=CN=C1 A13473 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.15 CC1=CC=CN=C1CN A13472 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.15 CC1=CC=CN=C1CO H13471 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.15 CCC1=C(F)C=NC=N1 E4322 [0,1,0,0,0,1|1,0,0]=3 260 B9R1.15 CCC1=CC=CC=C1Cl C0487 [0,1,0,0,0,1|1,0,0]=3 261 B9R1.15 CCC1=NC=CN=C1Cl C3829 [0,1,0,0,0,1|1,0,0]=3 262 B9R1.15 CNC1=C(F)C=CC=C1 F2547 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.15 CNC1=CC=CC=C1N M8800 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.15 COC1=C(N)C=CN=C1 A17646 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.15 COC1=CC=CC=C1S M0642 [0,1,0,0,0,1|2,0,0]=4 266 B9R1.15 COC1=CC=CN=C1Br B18487 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.15 COC1=NC=CC=C1Cl C17305 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.15 COC1=NC=CC=C1N M11591 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.15 COC1=NC=CN=C1C M1133 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.15 COC1=NC=CN=C1Cl C3838 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.15 CSC1=C(Br)C=CC=C1 B9152 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.15 CSC1=CC=CC=C1Cl C2117 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.15 CSC1=CC=CC=C1F F3885 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.15 CSC1=CC=CC=C1I I3892 [0,1,0,0,0,1|2,0,0]=4 275 B9R1.15 CSC1=CC=CC=C1N M0578 [0,1,0,0,0,1|2,0,0]=4 276 B9R1.15 CSC1=CC=CC=C1O H3897 [0,1,0,0,0,1|2,0,0]=4 277 B9R1.15 CSC1=NC=CC=C1N A15135 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.15 CSC1=NC=CN=C1C M0882 [0,1,0,0,0,1|2,0,0]=4 279 B9R1.15 ClCC1=C(Cl)C=CC=C1 C18855 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.15 FC1=CC=CC=C1CBr F4170 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.15 NC1=C(CO)C=CN=C1 A14447 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.15 NC1=C(CO)C=NC=C1 A14446 [0,1,0,0,0,1|2,0,0]=4 283 B9R1.15 NC1=CC=CC=C1CO A18123 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.15 NC1=NC=CC=C1CO A11759 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.15 NCC1=CC=CC=C1Br B9994 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.15 NCC1=CC=CC=C1Cl C0974 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.15 NCC1=CC=CC=C1F F2669 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.15 NCC1=CC=CC=C1N A18056 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.15 NCC1=CC=CN=C1Cl A17808 [0,1,0,0,0,1|2,0,0]=4 290 B9R1.15 NCC1=NC=CC=C1F A11835 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.15 OCC1=CC=CC=C1Br B4306 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.15 OCC1=CC=CC=C1Cl C0385 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.15 OCC1=CC=CC=C1F F11142 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.15 OCC1=CC=CN=C1Cl C15615 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.15 OCC1=NC=CC=C1O H16739 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.15 SCC1=CC=CC=C1Br B3883 [0,1,0,0,0,1|2,0,0]=4 297 B9R1.7 CCCC1=NC(C)=CN1 M17091 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.7 CNCC1=NN(C)C=C1 M12463 [0,2,0,0,0,0|2,0,0]=4 299 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.21 CCC1=NC(C=O)=CN1 E12808 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.21 CCC1=NC=C(CO)N1 E14801 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.22 CC1=C(CBr)OC(=O)O1 B11099 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.22 CC1=C(CCl)OC(=O)O1 M12377 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.22 CC1=C(CCl)OC(=O)O1 M12377 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.35 CC(=O)C1=CC=C(Br)S1 A3938 [0,2,0,0,0,0|0,1,1]=4 307 B9R1.35 CC1=CSC(C(C)C)=N1 I0640 [0,2,0,0,0,0|1,1,0]=4 308 B9R1.35 FC(F)C1=CC(Br)=CS1 B9582 [0,2,0,0,0,0|1,1,0]=4 309 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 B9426 [0,2,0,0,0,0|1,0,1]=4 310 B9R1.35 O=C(O)C1=CC=C(Br)O1 B8631 [0,2,0,0,0,0|1,0,1]=4 311 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,2,0,0,0,0|1,0,1]=4 312 B9R1.11 CCC(=O)C1=CC=CS1 T3339 [0,2,0,0,0,0|0,1,0]=3 313 B9R1.11 N\C(=N\O)C1=CC=CO1 H13971 [0,2,0,0,0,0|1,0,1]=4 314 B9R1.11 O=C(CBr)C1=CC=CS1 B4897 [0,2,0,0,0,0|0,1,1]=4 315 B9R1.41 CC1=C(C(=N)N)OC=C1 M16880 [0,2,0,0,0,0|1,0,1]=4 316 B9R1.13 CC(C)CC1=NC=CS1 I5359 [0,2,0,0,0,0|1,1,0]=4 317 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,2,0,0,0,0|0,1,1]=4 318 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,2,0,0,0,0|0,1,1]=4 319 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,2,0,0,0,0|0,1,1]=4 320 B9R1.33 CC1=C(CCO)SC=N1 M0369 [0,2,0,0,0,0|1,1,0]=4 321 B9R1.33 CCOC1=C(C)N=CO1 M6716 [0,2,0,0,0,0|1,0,0]=3 322 B9R1.33 CN1C=CC=C1CC#N M0836 [0,2,0,0,0,0|1,0,1]=4 323 B9R1.33 CNCC1=CN=CN1C M16355 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.33 NC1=CC=NN1CCO P6771 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.33 NC1=CC=NN1CCO P6771 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.27 CCC1=C(C)NC=C1C D4108 [0,2,0,0,0,0|2,0,0]=4 327 B7R1.3 O=C1C=CCCC1 C17765 [0,0,1,1,0,0|0,0,2]=4 328 B7R1.3 OC1=NC=CC=C1 H5719 [0,0,1,1,0,0|1,0,1]=4