0 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.11 CC1=C(C=O)SC=N1 M41007 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.11 CC1=C(CCl)NC=N1 C2452 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.11 CC1=CSC=C1C=O M29934 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.11 CC1=NNC=C1C#N M18620 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.11 CC1=NNC=C1C=O M5838 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.11 CC1=NON=C1CN M61342 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.11 CC1=NSC=C1C#N M40783 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.11 CCN1C=CN=C1C E63017 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.11 CN1C=CC=C1C=O M17296 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.11 CN1C=CN=C1C=O M14037 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.11 CN1N=CC=C1C#N M12750 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.11 CN1N=CC=C1C=O M12515 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.11 CN1N=CC=C1CCl C41130 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.11 CN1N=CC=C1CN M9954 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.11 CN1N=NC=C1C=O M40133 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.11 N#CC1=C(Br)C=CS1 B9490 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.11 N#CC1=C(Cl)C=CS1 C61406 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [0,0,0,0,0,0|3,1,0]=4 26 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.11 O=CC1=C(Br)NC=N1 B40040 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.11 O=CC1=C(I)SC=C1 K40695 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.11 OCC1=C(Br)N=CS1 B38277 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 N#CC1=CN=CS1 T39999 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,0,0|1,1,1]=4 47 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,0,0|1,1,1]=4 48 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|1,1,0]=3 55 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 O=CC1=CNN=C1 P0675 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 O=CC1=CNN=C1 P7759 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,0,0|1,1,1]=4 66 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.4 BrC1=C(Br)SC=C1 D39969 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.4 BrC1=C(I)SC=C1 B39972 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.4 CC1=C(Br)N=CS1 B61015 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.4 CC1=C(Br)NC=N1 B40116 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.4 CC1=C(Br)SC=N1 B5072 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.4 CC1=C(C)NC=N1 D41358 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.4 CC1=C(C)NC=N1 D43581 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.4 CC1=C(C)SC=N1 D41175 [1,0,0,0,0,0|0,0,1]=2 76 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.4 CC1=C(I)NC=N1 K40125 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.4 CC1=CC=NN1C D3267 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.4 CC1=CNN=C1C D22811 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.4 CC1=CNN=C1C D60965 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.4 CC1=NNC=C1I K40121 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.4 CC1=NOC=C1N M38991 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.4 CC1=NON=C1N M61679 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.4 CN1N=CC=C1I M9757 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.4 CN1N=CC=C1N M12745 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.4 CN1N=CCC1=O M40183 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.4 CN1N=CN=C1Br B21698 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.4 ClC1=C(Br)C=CS1 B37895 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.4 ClC1=C(Br)SC=C1 B39970 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.4 ClC1=C(Cl)NC=N1 D62394 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.4 ClC1=C(I)SC=C1 C60404 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.4 IC1=C(I)NC=N1 D2856 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.14 COC1=C(C=O)C=CS1 M29841 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.14 COC1=C(C=O)OC=C1 M6472 [0,1,0,0,0,0|2,1,0]=4 96 B9R1.14 O=CC1=C(C=O)SC=C1 T42326 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.22 CC1=C(C=O)N=C(N)S1 A41053 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.22 CC1=C(C=O)SC(Br)=N1 B40845 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.22 CC1=NN(C)C=C1C=O D9711 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 D40291 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.22 O=CC1=C(Br)N=C(Br)S1 D40289 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 D2688 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 D40065 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.27 CC1=C(C=O)N(C)C=N1 D36814 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.27 CC1=NOC(C)=C1C=O D24190 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.27 CN1N=CC(I)=C1C=O K40948 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,1,0,0,0,0|0,0,2]=3 113 B9R1.33 CC1=C(CCO)SC=N1 M68882 [0,1,0,0,0,0|0,0,2]=3 114 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,1,0,0,0,0|0,1,2]=4 115 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,0,0|0,0,1]=2 116 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,0,0,0|2,1,0]=4 124 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,0,0,0|1,1,0]=3 125 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.41 CC1=C(C(=O)O)SN=N1 M40076 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.41 CC1=C([N+](=O)[O-])NC=N1 M40137 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.41 CC1=NNC=C1C(=O)O M9647 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.41 CC1=NOC=C1C(=O)O M21771 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,1,0,0,0,0|3,0,0]=4 137 B9R2.3 C1=CC2=C(C=CS2)S1 T4822 [0,0,0,1,0,0|2,0,0]=3 138 B9R2.3 C1=CC2=C(N1)SC=C2 T42680 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.2 C=CC1=NC=CC(Br)=C1 B36792 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.2 C=CC1=NC=CC(Cl)=C1 C45320 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.2 C=CC1=NC=CC(N)=C1 V45970 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,0,0,0,0,1|2,0,0]=3 150 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,0,0,0,0,1|2,0,0]=3 151 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,0,0,0,0,1|2,0,1]=4 154 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,0,0,0,0,1|2,0,1]=4 156 B9R1.2 COC1=NC=NC(C)=C1 M43206 [0,0,0,0,0,1|2,0,1]=4 157 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.2 O=CC1=CC(Br)=NC=N1 B40605 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.2 O=CC1=CC=NC(Cl)=N1 C14545 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.15 CC1=C(C#N)C=CN=C1 M14014 [0,0,0,0,0,1|2,0,1]=4 168 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,0,0,0,0,1|2,0,1]=4 171 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,0,0,0,0,1|2,0,1]=4 172 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,0,0,0,0,1|2,0,1]=4 173 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [0,0,0,0,0,1|2,0,1]=4 176 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.15 CC1=NC=CN=C1C=O M14617 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.15 CC1=NC=CN=C1CCl C14615 [0,0,0,0,0,1|2,0,1]=4 179 B9R1.15 CC1=NC=CN=C1CN A11549 [0,0,0,0,0,1|2,0,1]=4 180 B9R1.15 CC1=NC=CN=C1CO H14616 [0,0,0,0,0,1|2,0,1]=4 181 B9R1.15 CCC1=NC=CN=C1C E43603 [0,0,0,0,0,1|1,0,2]=4 182 B9R1.15 COC1=NC=CN=C1C M39278 [0,0,0,0,0,1|2,0,1]=4 183 B9R1.15 CSC1=NC=CN=C1C M43263 [0,0,0,0,0,1|2,0,1]=4 184 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.15 NC1=NC=CN=C1C=O A0269 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.15 O=CC1=CC=CN=C1Br B67403 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.15 O=CC1=CC=CN=C1F F2386 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [0,0,0,0,0,1|3,0,0]=4 195 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|2,0,0]=4 196 B6R1.2 BrC1=CN=CS1 B2349 [2,0,0,0,0,0|1,0,0]=3 197 B6R1.2 BrC1=CNC=N1 B2477 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 BrC1=CSC=C1 B39148 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 BrC1=CSC=N1 B2171 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 BrC1=NN=CS1 B11248 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,1]=4 202 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|1,0,1]=4 203 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|0,0,1]=3 204 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|0,1,0]=3 206 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|0,0,0]=2 207 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 CC1=NON=C1 M62158 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 CN1C=NC=N1 M64922 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 ClC1=CN=CN1 C38031 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 ClC1=CSC=C1 C40018 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.2 ClC1=CSC=N1 C9773 [2,0,0,0,0,0|1,0,0]=3 216 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.2 IC1=CN=CN1 I2351 [2,0,0,0,0,0|2,0,0]=4 218 B6R1.2 IC1=CSC=C1 K40019 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 NC1=CN=CN1 I37101 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 NC1=CN=CS1 T39907 [2,0,0,0,0,0|1,0,0]=3 221 B6R1.2 NC1=CN=NS1 T39765 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 NC1=CNC=N1 I37475 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 NC1=COC=N1 X36633 [2,0,0,0,0,0|1,1,0]=4 224 B6R1.2 NC1=CSC=C1 A40167 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 NC1=CSC=C1 T10330 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 NC1=CSC=C1 T64858 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 NC1=CSC=N1 T39908 [2,0,0,0,0,0|1,0,0]=3 228 B6R1.2 NC1=NN=CS1 T69243 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.1 CC1=NC=C(CBr)S1 B41111 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,1,0,0,0,0|0,0,2]=4 235 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,1,0,0,0,0|0,0,2]=4 236 B8R1.1 CSC1=CN=C(N)S1 M40191 [1,1,0,0,0,0|1,0,1]=4 237 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.1 N#CC1=CN=C(Br)S1 B36697 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.1 N#CC1=CN=C(Cl)S1 C3295 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.1 NC1=NC=C(CO)S1 A40187 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.1 OCC1=CN=C(Br)S1 B2127 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.7 NC(=S)C1=CC=CS1 T41010 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.7 O=C(O)C1=CC=CS1 T69312 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.7 O=C(O)C1=CN=CO1 O9363 [1,1,0,0,0,0|1,1,0]=4 258 B8R1.7 O=C(O)C1=CN=CS1 T2164 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.8 NCCC1=CN=CS1 T41396 [1,1,0,0,0,0|0,0,2]=4 262 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [1,1,0,0,0,0|1,0,1]=4 264 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [1,1,0,0,0,0|1,0,0]=3 269 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [1,1,0,0,0,0|0,0,1]=3 271 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [1,1,0,0,0,0|0,0,1]=3 272 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [1,1,0,0,0,0|0,0,1]=3 273 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,1,0,0,0,0|0,1,1]=4 277 B10R1.8 CC1=CC(C=O)=CC(C)=N1 D38336 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.30 CC1=CC(C=O)=C(Br)C=N1 B63912 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,1,0,0,0,1|1,0,1]=4 281 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.172 CNC1=NC=CC(C=O)=N1 M64957 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.172 CSC1=NC(C=O)=CC=N1 M14445 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,1|1,0,1]=4 295 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,0,1|1,0,1]=4 296 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,1|1,0,1]=4 297 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.61 CC1=C(C(=O)O)C=CN=N1 M14644 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.61 CC1=C(C(=O)O)C=NC=N1 M42779 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.39 O=C(O)C1=C(CO)N=NS1 H40080 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 B62817 [0,2,0,0,0,0|0,0,1]=3 308 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,2,0,0,0,0|0,0,1]=3 309 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 B40834 [0,2,0,0,0,0|1,0,0]=3 310 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 A41039 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 D43161 [0,2,0,0,0,0|1,1,0]=4 312 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D43157 [0,2,0,0,0,0|1,0,0]=3 313 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 D37488 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 D40287 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.149 COC(=O)C1=C(C)C=CS1 M46249 [0,2,0,0,0,0|1,0,1]=4 316 B10R1.149 COC(=O)C1=C(C)N=CS1 M67491 [0,2,0,0,0,0|0,0,1]=3 317 B10R1.149 COC(=O)C1=C(Cl)N=CS1 M40838 [0,2,0,0,0,0|1,0,1]=4 318 B10R1.149 COC(=O)C1=C(N)N=CS1 M64895 [0,2,0,0,0,0|1,0,1]=4 319 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,0,1,1,0,0|2,0,0]=4 321 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [0,0,1,1,0,0|2,0,0]=4 322 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,0,1,1,0,0|2,0,0]=4 323 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,0,1,1,0,0|2,0,0]=4 324 B8R1.5 CC1=C(I)C=NC=N1 K40890 [0,0,1,1,0,0|2,0,0]=4 325 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,0,1,1,0,0|2,0,0]=4 326 B8R1.5 CC1=CC=CN=C1C L68373 [0,0,1,1,0,0|1,0,1]=4 327 B8R1.5 CC1=NC=NC=C1N A14334 [0,0,1,1,0,0|2,0,0]=4 328 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [0,0,1,1,0,0|2,0,0]=4 329 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [0,0,1,1,0,0|2,0,0]=4 330 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,1,1,0,0|2,0,0]=4 331 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,0,1,1,0,0|2,0,0]=4 332 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,0,1,1,0,0|2,0,0]=4 333 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,0,1,1,0,0|1,0,1]=4 334 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,0,1,1,0,0|2,0,0]=4 335 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,0,1,1,0,0|2,0,0]=4 336 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,1,1,0,0|0,1,1]=4 337 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,0,1,1,0,0|1,0,0]=3 338 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,0,1,1,0,0|1,0,0]=3 339 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,0,1,1,0,0|1,0,0]=3 340 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,1,1,0,0|2,0,0]=4 341 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,0,1,1,0,0|1,0,0]=3 342 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,0,1,1,0,0|1,0,0]=3 343 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,1,1,0,0|0,0,0]=2 344 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,1,1,0,0|2,0,0]=4 345 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,0,1,1,0,0|2,0,0]=4 346 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,0,1,1,0,0|2,0,0]=4 347 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,0,1,1,0,0|2,0,0]=4 348 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,0,1,1,0,0|2,0,0]=4 349 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,0,1,1,0,0|2,0,0]=4 350 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,0,1,1,0,0|1,1,0]=4 351 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,0,1,1,0,0|2,0,0]=4 352 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,0,1,1,0,0|2,0,0]=4 353 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,0,1,1,0,0|2,0,0]=4 354 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,0,1,1,0,0|2,0,0]=4 355 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,0,1,1,0,0|1,1,0]=4 356 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,0,1,1,0,0|2,0,0]=4 357 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,0,1,1,0,0|2,0,0]=4 358 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,0,1,1,0,0|2,0,0]=4 359 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,0,1,1,0,0|2,0,0]=4 360 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,0,1,1,0,0|2,0,0]=4 361 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,0,1,1,0,0|2,0,0]=4 362 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,1,1,0,0|2,0,0]=4 363 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,0,1,1,0,0|2,0,0]=4 364 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,1,1,0,0|2,0,0]=4 365 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,0,1,1,0,0|1,1,0]=4 366 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [0,0,1,1,0,0|2,0,0]=4 367 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [0,0,1,1,0,0|2,0,0]=4 368 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [0,0,1,1,0,0|2,0,0]=4 369 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [0,0,1,1,0,0|2,0,0]=4 370 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [0,0,1,1,0,0|2,0,0]=4 371 B8R1.4 FC1=CC=CC(F)=N1 D5153 [0,0,1,1,0,0|2,0,0]=4 372 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [0,0,1,1,0,0|2,0,0]=4 373 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [0,0,1,1,0,0|2,0,0]=4 374 B8R1.4 NC1=CC=CC(F)=N1 A40882 [0,0,1,1,0,0|2,0,0]=4 375 B8R1.4 NC1=CC=CC(I)=N1 K40888 [0,0,1,1,0,0|2,0,0]=4 376 B8R1.4 NC1=CC=CC(N)=N1 P69294 [0,0,1,1,0,0|2,0,0]=4 377 B8R1.4 NC1=CC=CC(O)=N1 A3198 [0,0,1,1,0,0|1,1,0]=4 378 B8R1.4 OC1=CC=CC(F)=N1 F40852 [0,0,1,1,0,0|1,1,0]=4 379 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [0,0,0,1,0,1|2,0,0]=4 380 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [0,0,0,1,0,1|2,0,0]=4 381 B10R2.7 C1=CC2=C(C=N1)SC=C2 T3035 [0,0,0,1,0,1|2,0,0]=4 382 B10R2.7 C1=CC2=C(C=NC=N2)S1 T8264 [0,0,0,1,0,1|2,0,0]=4 383 B10R2.7 C1=CC2=C(N=N1)NC=C2 P15421 [0,0,0,1,0,1|2,0,0]=4 384 B10R2.7 C1=CC2=CN=CN=C2N1 P0039 [0,0,0,1,0,1|2,0,0]=4 385 B10R2.7 C1=CC2=NC=NC=C2N1 P1402 [0,0,0,1,0,1|2,0,0]=4 386 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [0,0,0,1,0,1|2,0,0]=4 387 B10R2.7 C1=CN=C2NC=CC2=N1 P7478 [0,0,0,1,0,1|2,0,0]=4 388 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [0,0,0,1,0,1|2,0,0]=4 389 B10R2.7 C1=CN=C2SC=CC2=N1 T42141 [0,0,0,1,0,1|2,0,0]=4 390 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,1,0,1,0,0|1,0,1]=4