0 B7R1.1 BrCC1=CSC=C1 B8083 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 BrCC1=CSC=C1 B8083 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 CCC1=NC=CN1 E1455 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 ClCC1=CSC=N1 C14673 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 ClCC1=CSC=N1 C14673 [0,0,0,0,0,0|3,0,1]=4 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|1,0,1]=2 9 B7R1.1 NCC1=CC=CS1 T3333 [0,0,0,0,0,0|1,1,1]=3 10 B7R1.1 NCC1=NC=CN1 I17075 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 NCC1=NC=CS1 A16694 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.1 NCC1=NNC=C1 P17146 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.1 O=CC1=CC=CS1 T1387 [0,0,0,0,0,0|0,1,0]=1 16 B7R1.1 O=CC1=CN=CS1 T17632 [0,0,0,0,0,0|1,1,0]=2 17 B7R1.1 O=CC1=CNC=N1 I2653 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.1 O=CC1=CSC=N1 T17623 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 O=CC1=NC=CS1 T17639 [0,0,0,0,0,0|1,1,0]=2 20 B7R1.1 O=CC1=NNC=C1 M3639 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.1 OCC1=CN=CS1 H15363 [0,0,0,0,0,0|1,1,2]=4 22 B7R1.1 OCC1=CNC=N1 H11787 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 OCC1=CNC=N1 H4012 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.1 OCC1=NC=CN1 I14917 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.1 OCC1=NNC=C1 P17144 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.1 OCC1=NNC=C1 P17144 [0,0,0,0,0,0|2,0,2]=4 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|2,0,1]=4 34 B6R1.2 CC1=NC=CN1 M18847 [1,0,0,0,0,0|2,0,1]=4 35 B6R1.2 CC1=NC=CS1 M17737 [1,0,0,0,0,0|1,1,1]=4 36 B6R1.2 IC1=CC=CS1 I3940 [1,0,0,0,0,0|1,1,0]=3 37 B6R1.2 IC1=CNC=N1 I4020 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 IC1=CNC=N1 I4020 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 NC1=CSC=N1 A19319 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 NC1=NC=CN1 A6573 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,0,0,0|1,0,1]=3 42 B6R1.2 O=C1C=CSN1 S19312 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 O=C1NCCO1 O11604 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.1 C(=O)C1=CC(Br)=CS1 B0240 [0,1,0,0,0,0|0,1,0]=2 45 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [0,1,0,0,0,0|0,1,0]=2 46 B8R1.1 CC1=NC=C(C=O)S1 M15635 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.1 CN1C=C(C=O)C=N1 M11562 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.1 ClCC1=CC=C(Cl)S1 C17659 [0,1,0,0,0,0|1,1,1]=4 49 B8R1.1 NC1=NC=C(C=O)S1 A18207 [0,1,0,0,0,0|1,1,0]=3 50 B8R1.1 NC1=NC=C(C=O)S1 A4535 [0,1,0,0,0,0|1,1,0]=3 51 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,0,0,0|0,0,3]=4 52 B8R1.1 O=CC1=CC(Br)=CO1 B8008 [0,1,0,0,0,0|0,0,0]=1 53 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [0,1,0,0,0,0|0,0,0]=1 54 B8R1.1 O=CC1=CC=C(I)O1 I9961 [0,1,0,0,0,0|0,0,0]=1 55 B8R1.1 O=CC1=CN=C(Br)S1 B14493 [0,1,0,0,0,0|1,1,0]=3 56 B8R1.7 CC(=O)C1=CC=CN1 A0582 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.7 CC(=O)C1=CC=CO1 A1473 [0,1,0,0,0,0|0,0,0]=1 58 B8R1.7 CC(=O)C1=CC=CS1 A0583 [0,1,0,0,0,0|0,1,0]=2 59 B8R1.7 CC(=O)C1=CNC=C1 P7297 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.7 CC(=O)C1=CNN=C1 A17999 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.7 CC(=O)C1=NC=CS1 A1214 [0,1,0,0,0,0|1,1,0]=3 62 B8R1.7 N=C(N)C1=CC=CO1 F13113 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.7 N=C(N)C1=COC=C1 F16868 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.7 NC(=O)C1=CNC=N1 I12809 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.7 NC(=O)C1=CNC=N1 I12809 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.7 NC(=O)C1=CSC=N1 T17625 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.7 NC(=O)C1=NC=CS1 T15155 [0,1,0,0,0,0|1,1,0]=3 68 B8R1.7 NC(=O)C1=NNC=N1 T4054 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.7 NC(=S)C1=CNC=N1 I12832 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.7 NC(=S)C1=NC=CS1 T15154 [0,1,0,0,0,0|1,2,0]=4 71 B8R1.7 O=C(Cl)C1=CSC=N1 T17627 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,1,0,0,0,0|0,1,0]=2 73 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,1,0,0,0,0|0,1,0]=2 74 B8R1.7 O=C(O)C1=CN=CS1 T17631 [0,1,0,0,0,0|1,1,0]=3 75 B8R1.7 O=C(O)C1=CNC=C1 P7298 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.7 O=C(O)C1=CNC=C1 P7298 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.7 O=C(O)C1=CNC=N1 I11557 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.7 O=C(O)C1=CSC=N1 T11462 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.7 O=C(O)C1=NNC=C1 P4441 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.7 O=C(O)C1=NNC=N1 T2737 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.7 O=C(O)C1CC=CC1 C3045 [0,1,0,0,0,0|1,0,2]=4 82 B8R1.7 O=[N+]([O-])C1=NC=CN1 N6123 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.7 O=[N+]([O-])C1=NC=CN1 N6123 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.7 OB(O)C1=CC=CO1 F4005 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.7 OB(O)C1=CC=CS1 T4052 [0,1,0,0,0,0|1,1,1]=4 86 B8R1.8 N#CCC1=CC=CS1 T5379 [0,1,0,0,0,0|1,1,1]=4 87 B8R1.8 NCCC1=CC=CS1 T0651 [0,1,0,0,0,0|1,1,1]=4 88 B8R1.8 OCCC1=CC=CS1 T0443 [0,1,0,0,0,0|0,1,2]=4 89 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [0,1,0,0,0,0|0,1,0]=2 90 B8R1.11 C=CC1=C(C)N=CS1 V6715 [0,1,0,0,0,0|2,1,0]=4 91 B8R1.11 CC1=C(C=O)N=CN1 M12761 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.11 CC1=C(C=O)SC=N1 T6714 [0,1,0,0,0,0|1,1,0]=3 93 B8R1.11 N#CC1=C(Br)C=CS1 B3798 [0,1,0,0,0,0|1,1,1]=4 94 B8R1.11 O=CC1=C(Br)C=CS1 B8637 [0,1,0,0,0,0|0,1,0]=2 95 B8R1.2 C#CC1=CC=CC=C1 P18887 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.2 C#CC1=CC=NC=C1 E11459 [0,0,0,0,0,1|2,0,1]=4 97 B8R1.2 C#CC1=CC=NC=C1 E11459 [0,0,0,0,0,1|2,0,1]=4 98 B8R1.2 C#CC1=CN=CC=C1 E11458 [0,0,0,0,0,1|2,0,1]=4 99 B8R1.2 C#CC1=NC=CC=C1 E11413 [0,0,0,0,0,1|2,0,1]=4 100 B8R1.2 C(=O)C1=CC=CN=C1 P11581 [0,0,0,0,0,1|1,0,0]=2 101 B8R1.2 C(=O)C1=CC=NC=C1 P11582 [0,0,0,0,0,1|1,0,0]=2 102 B8R1.2 C=CC1=NC=CN=C1 V13362 [0,0,0,0,0,1|2,0,0]=3 103 B8R1.2 COC1=CC=NC=C1 M3232 [0,0,0,0,0,1|3,0,0]=4 104 B8R1.2 COC1=CC=NC=C1 M3232 [0,0,0,0,0,1|3,0,0]=4 105 B8R1.2 ClCC1=CC=CN=C1 C1770 [0,0,0,0,0,1|2,0,1]=4 106 B8R1.2 ClCC1=CC=NC=C1 C2804 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.2 ClCC1=NC=CC=C1 C5538 [0,0,0,0,0,1|2,0,1]=4 108 B8R1.2 ClCC1=NC=CC=N1 C13629 [0,0,0,0,0,1|2,0,1]=4 109 B8R1.2 ClCC1=NC=CC=N1 C13629 [0,0,0,0,0,1|2,0,1]=4 110 B8R1.2 N#CC1=CC=CN=C1 C2747 [0,0,0,0,0,1|2,0,1]=4 111 B8R1.2 N#CC1=NC=CC=N1 C2476 [0,0,0,0,0,1|2,0,1]=4 112 B8R1.2 NCC1=CC=CN=C1 P2319 [0,0,0,0,0,1|2,0,1]=4 113 B8R1.2 NCC1=NC=CC=N1 A13173 [0,0,0,0,0,1|2,0,1]=4 114 B8R1.2 NNC1=NC=CC=N1 H19148 [0,0,0,0,0,1|3,0,0]=4 115 B8R1.2 OCC1=NC=CC=C1 P1495 [0,0,0,0,0,1|1,0,2]=4 116 B8R1.2 OCC1=NC=CC=N1 P17605 [0,0,0,0,0,1|1,0,2]=4 117 B8R1.2 OCC1=NC=NC=C1 P14938 [0,0,0,0,0,1|1,0,2]=4 118 B5R1.1 C1=CNC=N1 I18837 [2,0,0,0,0,0|2,0,0]=4 119 B5R1.1 C1=CON=C1 I12950 [2,0,0,0,0,0|1,0,0]=3 120 B7R1.2 BrC1=CC=C(Br)S1 D0151 [1,1,0,0,0,0|1,1,0]=4 121 B7R1.2 CC1=CC(=O)NN1 M2903 [1,1,0,0,0,0|2,0,0]=4 122 B7R1.2 CC1=CC(Br)=CS1 B8084 [1,1,0,0,0,0|0,1,1]=4 123 B7R1.2 CC1=CC(N)=NO1 A0141 [1,1,0,0,0,0|1,0,1]=4 124 B7R1.2 CC1=CC=C(Br)S1 B3937 [1,1,0,0,0,0|0,1,1]=4 125 B7R1.2 CC1=CC=C(C)N1 D1487 [1,1,0,0,0,0|1,0,1]=4 126 B7R1.2 CC1=CC=C(C)S1 P14109 [1,1,0,0,0,0|0,1,1]=4 127 B7R1.2 ClC1=CC=C(Br)S1 B3948 [1,1,0,0,0,0|1,1,0]=4 128 B7R1.2 ClC1=CC=C(Cl)S1 D1586 [1,1,0,0,0,0|1,1,0]=4 129 B7R1.2 O=C1C=CC(=O)N1 M17760 [1,1,0,0,0,0|1,0,0]=3 130 B7R1.2 O=C1CNC(=O)O1 O13300 [1,1,0,0,0,0|1,0,1]=4 131 B7R1.4 BrC1=C(Br)SC=C1 D3934 [1,1,0,0,0,0|1,1,0]=4 132 B7R1.4 C=C1CCOC1=O M11697 [1,1,0,0,0,0|0,0,2]=4 133 B7R1.4 CC1=C(Br)SC=C1 B5335 [1,1,0,0,0,0|1,1,0]=4 134 B7R1.4 CC1=C(Cl)SC=C1 C1192 [1,1,0,0,0,0|1,1,0]=4 135 B7R1.4 CN1SC=CC1=O M5023 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.4 ClC1=C(Br)C=CS1 B8915 [1,1,0,0,0,0|1,1,0]=4 137 B9R1.1 C(=O)C1=CC=C(C)C=C1 M0262 [0,1,0,0,0,1|1,0,0]=3 138 B9R1.1 C(=O)C1=CC=C(F)C=C1 F5017 [0,1,0,0,0,1|1,0,0]=3 139 B9R1.1 C(=O)C1=CC=C(O)C=C1 H0254 [0,1,0,0,0,1|1,0,0]=3 140 B9R1.1 C(=O)C1=CN=C(C)N=C1 M12474 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.1 C(=O)C1=CN=C(C)N=C1 P12475 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.1 C=CC1=CC=C(Br)C=C1 B8315 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.1 NC1=NC=C(C=O)C=N1 A13171 [0,1,0,0,0,1|2,0,0]=4 144 B9R1.1 O=CC1=CC=C(Br)C=C1 B8396 [0,1,0,0,0,1|1,0,0]=3 145 B9R1.1 O=CC1=CC=C(Cl)N=C1 C12510 [0,1,0,0,0,1|1,0,0]=3 146 B9R1.1 O=CC1=NC=C(Br)C=C1 B13826 [0,1,0,0,0,1|1,0,0]=3 147 B9R1.1 O=CC1=NC=C(F)C=C1 F17485 [0,1,0,0,0,1|1,0,0]=3 148 B9R1.2 C(=O)C1=CC(Br)=CN=C1 B11418 [0,1,0,0,0,1|1,0,0]=3 149 B9R1.2 C(=O)C1=CC=CC(Br)=C1 B4204 [0,1,0,0,0,1|1,0,0]=3 150 B9R1.2 C(=O)C1=CC=CC(C)=C1 T4219 [0,1,0,0,0,1|1,0,0]=3 151 B9R1.2 C(=O)C1=CC=CC(F)=C1 F3982 [0,1,0,0,0,1|1,0,0]=3 152 B9R1.2 C(=O)C1=CC=CC(O)=C1 H0367 [0,1,0,0,0,1|1,0,0]=3 153 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C3153 [0,1,0,0,0,1|1,0,0]=3 154 B9R1.2 C=CC1=CC(C)=CN=C1 M13360 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.2 C=CC1=CC=CC(Br)=C1 B8314 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.2 NC1=CC=CC(C=O)=C1 A14455 [0,1,0,0,0,1|1,0,0]=3 157 B9R1.2 O=CC1=CC(Br)=NC=C1 B2189 [0,1,0,0,0,1|1,0,0]=3 158 B9R1.2 O=CC1=CC(O)=NC=C1 H13246 [0,1,0,0,0,1|1,0,0]=3 159 B9R1.2 O=CC1=CC=CC(Br)=N1 B8433 [0,1,0,0,0,1|1,0,0]=3 160 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [0,1,0,0,0,1|1,0,0]=3 161 B9R1.6 CC(=O)C1=CN=CC=N1 A0581 [0,1,0,0,0,1|1,0,0]=3 162 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [0,1,0,0,0,1|1,0,0]=3 163 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.6 N=C(N)C1=CC=CN=C1 P13006 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.6 N=C(N)C1=NC=CC=C1 P13904 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.6 N=C(N)C1=NC=CN=C1 P13907 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.6 N=C(\C1=CC=NC=C1)N P13011 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.6 NC(=O)C1=CC=NC=C1 P1409 [0,1,0,0,0,1|1,0,0]=3 171 B9R1.6 NC(=O)C1=CN=CN=C1 P17598 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.6 NC(=O)C1=NC=CN=C1 P1326 [0,1,0,0,0,1|1,0,0]=3 173 B9R1.6 O=C(Cl)C1=CN=CC=N1 P12749 [0,1,0,0,0,1|1,0,0]=3 174 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [0,1,0,0,0,1|1,0,0]=3 175 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [0,1,0,0,0,1|1,0,0]=3 176 B9R1.6 O=C(O)C1=CC=NN=C1 P12249 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.6 O=C(O)C1=CCCCO1 D16194 [0,1,0,0,0,1|0,0,2]=4 178 B9R1.6 O=C(O)C1=CN=CN=C1 P12245 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [0,1,0,0,0,1|1,0,0]=3 180 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [0,1,0,0,0,1|1,0,0]=3 181 B9R1.6 O=C(O)C1=NC=CC=N1 P12246 [0,1,0,0,0,1|1,0,0]=3 182 B9R1.6 O=C(O)C1=NC=CN=C1 P4976 [0,1,0,0,0,1|1,0,0]=3 183 B9R1.6 O=C(O)C1=NC=NC=C1 P12243 [0,1,0,0,0,1|1,0,0]=3 184 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [0,1,0,0,0,1|2,0,0]=4 185 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [0,1,0,0,0,1|1,0,1]=4 186 B9R1.15 C(=O)C1=CC=CC=C1C T4218 [0,1,0,0,0,1|1,0,0]=3 187 B9R1.15 C(=O)C1=CC=CN=C1Br B11429 [0,1,0,0,0,1|1,0,0]=3 188 B9R1.15 C(=O)C1=CC=CN=C1Cl C11431 [0,1,0,0,0,1|1,0,0]=3 189 B9R1.15 C(=O)C1=CC=CN=C1N A2849 [0,1,0,0,0,1|1,0,0]=3 190 B9R1.15 C=CC1=CC=CC=C1Br B8313 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.15 C=CC1=NC=CN=C1C M13359 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.15 CC1=CC=CN=C1C=O M12711 [0,1,0,0,0,1|1,0,0]=3 193 B9R1.15 NC1=CC=CC=C1C=O A1785 [0,1,0,0,0,1|1,0,0]=3 194 B9R1.15 O=CC1=C(Br)C=CC=C1 B8395 [0,1,0,0,0,1|1,0,0]=3 195 B9R1.15 O=CC1=C(Br)C=NC=C1 B17452 [0,1,0,0,0,1|1,0,0]=3 196 B9R1.15 O=CC1=C(Cl)C=CN=C1 C19295 [0,1,0,0,0,1|1,0,0]=3 197 B9R1.15 O=CC1=C(Cl)C=NC=C1 C17295 [0,1,0,0,0,1|1,0,0]=3 198 B9R1.15 O=CC1=C(F)C=NC=C1 F17484 [0,1,0,0,0,1|1,0,0]=3 199 B9R1.15 O=CC1=CC=CN=C1F F17481 [0,1,0,0,0,1|1,0,0]=3 200 B9R1.15 O=CC1=NC=CC=C1O H16738 [0,1,0,0,0,1|1,0,0]=3 201 B9R1.15 [NH3+]C1=C(C=O)C=CC=N1 A12904 [0,1,0,0,0,1|1,0,0]=3 202 B9R1.15 [NH3+]C1=CC=CC=C1C=O A12970 [0,1,0,0,0,1|1,0,0]=3 203 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [0,2,0,0,0,0|0,0,0]=2 204 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [0,2,0,0,0,0|0,0,0]=2 205 B9R1.21 CCC1=NC(C=O)=CN1 E12808 [0,2,0,0,0,0|2,0,0]=4 206 B9R1.22 CC1=CC(C)=C(C=O)N1 D15105 [0,2,0,0,0,0|1,0,0]=3 207 B9R1.22 CC1=NC(C=O)=C(C)O1 D16214 [0,2,0,0,0,0|2,0,0]=4 208 B9R1.35 CC(=O)C1=CC=C(Br)S1 A3938 [0,2,0,0,0,0|0,1,0]=3 209 B9R1.35 CC(=O)C1=CNC(C)=N1 A12830 [0,2,0,0,0,0|2,0,0]=4 210 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [0,2,0,0,0,0|2,0,0]=4 211 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [0,2,0,0,0,0|2,0,0]=4 212 B9R1.35 CC1=NC=C(C(=O)O)S1 M15609 [0,2,0,0,0,0|1,1,0]=4 213 B9R1.35 CC1=NNC(C(=O)O)=C1 M12250 [0,2,0,0,0,0|2,0,0]=4 214 B9R1.35 NC(=O)C1=CSC(N)=N1 A17811 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.35 NC1=NC(C(=O)O)=CS1 A1501 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 B9426 [0,2,0,0,0,0|0,0,0]=2 217 B9R1.35 O=C(O)C1=CC(Br)=CN1 B15071 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.35 O=C(O)C1=CC(Br)=CS1 B18451 [0,2,0,0,0,0|0,1,0]=3 219 B9R1.35 O=C(O)C1=CC=C(Br)O1 B8631 [0,2,0,0,0,0|0,0,0]=2 220 B9R1.35 O=C(O)C1=CC=C(Br)S1 B9313 [0,2,0,0,0,0|0,1,0]=3 221 B9R1.35 O=C(O)C1=CN=C(Br)S1 B14465 [0,2,0,0,0,0|1,1,0]=4 222 B9R1.35 O=C(O)C1=CSC(Br)=N1 B14412 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.35 O=C(O)C1=CSC(I)=N1 I15531 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 B9356 [0,2,0,0,0,0|1,1,0]=4 225 B9R1.35 [NH3+]C1=NC(C(=O)O)=CS1 A12716 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.11 CCC(=O)C1=CC=CS1 T3339 [0,2,0,0,0,0|0,1,0]=3 227 B9R1.11 COC(=O)C1=CNC=N1 M12811 [0,2,0,0,0,0|2,0,0]=4 228 B9R1.11 COC(=O)C1=NNC=C1 P14852 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.11 NNC(=O)C1=CC=CS1 T0649 [0,2,0,0,0,0|0,1,0]=3 230 B9R1.11 NNC(=O)C1=CN=CS1 T17637 [0,2,0,0,0,0|1,1,0]=4 231 B9R1.11 NNC(=O)C1=CSC=N1 T17628 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.11 N\C(=N\O)C1=CC=CO1 H13971 [0,2,0,0,0,0|0,0,1]=3 233 B9R1.11 O=C(CBr)C1=CC=CS1 B4897 [0,2,0,0,0,0|0,1,0]=3 234 B9R1.41 CC1=C(C(=N)N)OC=C1 M16880 [0,2,0,0,0,0|1,0,0]=3 235 B9R1.41 CC1=C(C(=O)O)SC=C1 M0715 [0,2,0,0,0,0|0,1,0]=3 236 B9R1.41 CC1=C(C(=O)O)SC=N1 M15610 [0,2,0,0,0,0|1,1,0]=4 237 B9R1.41 CN1C=CC=C1C(=O)O M16979 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.41 CN1N=CC=C1C(=O)O M17588 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.41 NC(=O)C1=C(N)N=CN1 A0775 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.41 NC(=O)C1=C(N)N=CN1 A0775 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.41 NC(=O)C1=C(N)NC=N1 A3778 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.41 NC(=O)C1=C(O)NC=N1 H19077 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 C8239 [0,2,0,0,0,0|0,1,0]=3 244 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [0,2,0,0,0,0|0,1,0]=3 245 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [0,2,0,0,0,0|0,1,0]=3 246 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C7552 [0,2,0,0,0,0|0,1,0]=3 247 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,2,0,0,0,0|1,1,0]=4 248 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,2,0,0,0,0|0,1,0]=3 249 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,2,0,0,0,0|0,1,0]=3 250 B9R1.13 O=C(O)CC1=CNC=N1 I7550 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.13 O=C(O)CC1=COC=C1 F15733 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.13 O=C(O)CC1=CSC=C1 T5371 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.13 O=C(O)CC1=CSC=N1 T17624 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.33 C(=O)CC1=C(C)N=CS1 M2420 [0,2,0,0,0,0|1,1,0]=4 255 B9R1.33 NC1=C(NC=O)N=CN1 F11026 [0,2,0,0,0,0|2,0,0]=4 256 B7R1.3 BrC1=CC=CN=C1 B11571 [0,0,1,1,0,0|2,0,0]=4 257 B7R1.3 ClC1=CC=CN=C1 C3229 [0,0,1,1,0,0|2,0,0]=4 258 B7R1.3 FC1=CC=CN=C1 F0708 [0,0,1,1,0,0|2,0,0]=4 259 B7R1.3 IC1=CC=CN=C1 I9223 [0,0,1,1,0,0|2,0,0]=4 260 B7R1.3 NC1=CC=CN=C1 A11569 [0,0,1,1,0,0|2,0,0]=4 261 B7R1.3 OC1=CC=NC=C1 H4081 [0,0,1,1,0,0|2,0,0]=4 262 B7R1.3 OC1=NC=CC=C1 H5719 [0,0,1,1,0,0|2,0,0]=4