0 B7R0.4 CCCOCC(=O)O P40387 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.4 CCOC=CC(=O)O E41226 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.4 CNCCCC(=O)O M63276 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 COCCCC(=O)O M67387 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 COC\C=C\C(=O)O M63576 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|0,0,3]=4 14 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.6 C\C=C\C=C\CO H69109 [1,0,0,0,0,0|0,0,1]=2 16 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|0,0,2]=3 18 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.9 COC(=O)NCC(=O)O M40229 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,1,0,0,0,0|0,0,3]=4 23 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,0,0,1,0,0|2,1,0]=4 27 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,0,0,1,0,0|1,1,1]=4 30 B8R1.1 N#CC1=CC=C(Br)O1 B40544 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [0,0,0,1,0,0|2,1,0]=4 36 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 BrC1=CC=CC(I)=C1 B24425 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,0,1,0,0|1,1,0]=3 57 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.4 ClC1=CC=CC(Br)=C1 B68310 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.4 ClC1=CC=CC(I)=C1 C39234 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 FC1=CC=CC(F)=N1 D5153 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 FC1=CC=CC(I)=C1 F39235 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 FC1=CC=CC([Mg+])=C1 F31732 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 IC1=CC=CC(I)=C1 D36613 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 NC1=CC(O)=CN=C1 A41024 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.4 NC1=CC(O)=CN=C1 A41394 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.4 NC1=CC(O)=NC=C1 A41022 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 NC1=CC=CC(F)=N1 A40882 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.4 NC1=CC=CC(I)=C1 I37843 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.4 NC1=CC=CC(I)=N1 K40888 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.4 NC1=CC=CC(N)=N1 P69294 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.4 NC1=CC=CC(O)=N1 A3198 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.4 NC1=NC=CC(O)=C1 A41020 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.4 OC1=CC(Br)=CN=C1 B13207 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.4 OC1=CC(Cl)=CN=C1 C40849 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.4 OC1=CC(F)=CN=C1 F40851 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.4 OC1=CC(O)=NC=C1 P61417 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.4 OC1=CC=CC(F)=C1 F69298 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.4 OC1=CC=CC(F)=N1 F40852 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.4 OC1=CC=CC(I)=C1 K42723 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.4 OC1=CC=NC(Cl)=N1 C24271 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.4 OC1=CN=CC(O)=C1 P28714 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.4 [Mg+]C1=CC=CC(Cl)=C1 C31751 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,0,0,1,0,0|2,1,0]=4 142 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,1,0,0|0,0,2]=3 149 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.7 O=C(O)C1=CNN=C1 P10474 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,1,0,0|1,0,1]=3 154 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,1,0,0|1,0,1]=3 156 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,1,0,0|1,0,1]=3 158 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,0,1,0,0|0,0,2]=3 168 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,0,0,1,0,0|1,0,2]=4 169 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,0,0,1,0,0|1,0,2]=4 170 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,1,0,0|1,0,1]=3 171 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,1,0,0|1,0,1]=3 172 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.7 OB(O)C1=CC=CO1 F3580 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,0|0,0,2]=3 176 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|0,0,2]=3 177 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 178 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,1]=4 180 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,0]=3 181 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.3 COC(=O)C=CCBr M37461 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.3 COC(=O)\C=C\CBr M41176 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,1,0,0,0,0|0,0,2]=4 188 B7R0.5 CCC=C(C)C(=O)O M39198 [1,1,0,0,0,0|0,0,1]=3 189 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,1,0,0,0,0|0,0,1]=3 191 B7R0.6 CC(=O)\C=C\N(C)C D68911 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.53 CC(C)=CC(=O)C=C(C)C D69148 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,2,0,0,0,0|1,0,1]=4 195 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.5 CCOC=CC(=O)OCC E43814 [0,2,0,0,0,0|1,0,1]=4 198 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,2,0,0,0,0|1,0,1]=4 199 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,1,0,0|1,1,0]=4 201 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,1,0,0|1,1,0]=4 202 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,1,0,0|1,1,0]=4 203 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.2 OC1=CC=C(Br)S1 B40069 [1,0,0,1,0,0|1,1,0]=4 206 B7R1.3 FC1=NC=CC=C1 F4862 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 IC1=CC=CC=C1 I38419 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.3 IC1=NC=CC=C1 K67594 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.3 NC1=NC=CC=C1 A23973 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 O=C1C=CC=NN1 P5932 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.3 O=C1C=CN=CN1 P0246 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 O=C1C=COC=C1 P40862 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.3 O=C1C=NC=CN1 H68630 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 O=C1N=CC=CN1 P67458 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 OC1=CC=NC=C1 H10331 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.3 OC1=NC=CC=C1 P61113 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.3 OC1=NC=NC=C1 P32223 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,1,0,0|0,1,1]=4 222 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,1,0,0|1,1,0]=4 223 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,2]=4 229 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,1,0,0|1,0,1]=4 240 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.4 CC1=CSC=C1Br B40866 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,1,0,1,0,0|0,0,2]=4 251 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.13 O=C(O)CN1C=CC=N1 P41032 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.34 CC1=CC(=O)NC(=O)N1 M60790 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.34 CC1=CC(=O)NC(O)=C1 H0016 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.34 CC1=CC(Br)=CC(Br)=C1 D39367 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.34 CC1=CC(Br)=CC(Br)=N1 D25404 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 B45157 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 B42535 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.34 CC1=CC(Br)=CC(F)=C1 B45167 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.34 CC1=CC(Br)=CC(F)=N1 B42552 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.34 CC1=CC(Br)=CC(N)=C1 B38464 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.34 CC1=CC(Br)=CC(N)=N1 B32094 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.34 CC1=CC(Br)=CC(O)=C1 B45949 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.34 CC1=CC(Br)=CC(O)=N1 B25850 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 D61038 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 D5517 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.34 CC1=CC(Cl)=CC(N)=C1 C46095 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.34 CC1=CC(Cl)=CC(N)=N1 A69246 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.34 CC1=CC(Cl)=CC(O)=C1 C45956 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.34 CC1=CC(F)=CC(F)=C1 D45189 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.34 CC1=CC(F)=CC(F)=N1 D36881 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.34 CC1=CC(F)=CC(N)=C1 F46114 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.34 CC1=CC(F)=CC(O)=C1 F45961 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C42583 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.34 CC1=CC(I)=CC(F)=N1 F39127 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.34 CC1=CC(N)=CC(Br)=N1 B9374 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.34 CC1=CC(N)=CC(Cl)=N1 C25407 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.34 CC1=CC(O)=CC(=O)N1 H43145 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.34 CC1=CC(O)=CC(N)=C1 A46373 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.34 CC1=CC(O)=CC(O)=C1 M46232 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.34 CC1=CC(O)=CC(O)=N1 M43137 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.34 CC1=CC(O)=CC(O)=N1 M43138 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.34 CC1=CC([Mg+])=CC(F)=C1 F31750 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.34 CC1=NC(O)=CC(O)=N1 D39176 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.34 NC1=CC(=O)NC(F)=C1 A16281 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.34 NC1=CC(Cl)=CC(O)=C1 A42899 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.34 NC1=CC(O)=CC(O)=C1 A43537 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.34 O=C1C=C(Cl)C=C(Cl)N1 D40674 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.34 OC1=CC(Br)=CC(Br)=C1 D42337 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.34 OC1=CC(Br)=CC(Cl)=C1 B42341 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.34 OC1=CC(Br)=CC(F)=C1 B38432 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 D67591 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.34 OC1=CC(Cl)=CC(F)=C1 C42356 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.34 OC1=CC(F)=CC(F)=C1 D42366 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.34 OC1=CC(I)=CC(Br)=C1 B42350 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.34 OC1=CC(O)=CC(Br)=C1 B42695 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.34 OC1=CC(O)=CC(F)=C1 F42704 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.41 CC1=C(C(=O)Cl)C=NO1 M2623 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,1,0,0|0,0,0]=2 320 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,1,0,0|0,0,0]=2 322 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,1,0,0|0,0,0]=2 326 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,1,0,0|0,0,0]=2 327 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,1,0,0|0,0,0]=2 330 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.41 CC1=C(C(=O)O)SN=N1 M40076 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.41 CC1=CNN=C1C(=O)O M41036 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,1,0,1,0,0|0,0,0]=2 334 B9R1.41 CC1=NNC=C1C(=O)O M9647 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.41 CC1=NOC=C1C(=O)O M21771 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,1,0,0|0,0,0]=2 337 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.41 CN1N=NC=C1C(=O)O M40142 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.41 NC(=O)C1=C(N)SC=C1 A41049 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.41 NC(=O)C1=CSC=C1Br B40842 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.41 NC1=CNN=C1C(=O)O A40139 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.41 O=C(O)C1=C(Br)C=NN1 B40030 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.41 O=C(O)C1=C(Br)OC=N1 B37246 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.41 O=C(O)C1=C(Br)SC=C1 B37969 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.41 O=C(O)C1=C(Br)SC=N1 B3211 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.41 O=C(O)C1=C(Cl)C=NN1 C38651 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.41 O=C(O)C1=C(Cl)C=NS1 C40015 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.41 O=C(O)C1=C(Cl)NN=C1 C40033 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.41 O=C(O)C1=C(Cl)SC=C1 C40686 [0,1,0,1,0,0|1,0,0]=3 356 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.41 O=C(O)C1=C(I)C=NN1 K40036 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.41 O=C(O)C1=CSC=C1Br B11526 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.41 O=C(O)C1=NNC=C1Br B3819 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.1 O=CC1=NNC(=O)C=C1 X3635 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.2 COC1=CN=CC(O)=C1 M43136 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.3 CC1=C(Br)C=CC=C1O B45947 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.3 CC1=C(Cl)C=CC=C1O C45954 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.3 CC1=C(F)C=CC=C1O F38593 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.3 CC1=C(O)C(Br)=NC=C1 B42881 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.3 CC1=C(O)C(Cl)=NC=C1 C26074 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.3 CC1=C(O)C=CC=C1N A46372 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.3 CC1=C(O)C=CC=C1O M68594 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.3 CC1=CC=CC(Br)=C1Cl B45161 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.3 CC1=CC=CC(Br)=C1F B45166 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.3 CC1=CC=CC(Br)=C1I B45172 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.3 CC1=CC=CC(Br)=C1N B9480 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.3 CC1=CC=CC(Br)=C1O B45946 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.3 CC1=CC=CC(C)=C1Br D49159 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.3 CC1=CC=CC(C)=C1Cl C68697 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.3 CC1=CC=CC(C)=C1F F49164 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.3 CC1=CC=CC(C)=C1I K49169 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.3 CC1=CC=CC(C)=C1[Mg+] D31737 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.3 CC1=CC=CC(Cl)=C1Br B45162 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.3 CC1=CC=CC(Cl)=C1I C45181 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.3 CC1=CC=CC(Cl)=C1N C46093 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.3 CC1=CC=CC(F)=C1Br B45169 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.3 CC1=CC=CC(F)=C1C F49163 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.3 CC1=CC=CC(F)=C1F D45187 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.3 CC1=CC=CC(F)=C1I F45190 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.3 CC1=CC=CC(F)=C1N F38493 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.3 CC1=CC=CC(I)=C1Br B45174 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.3 CC1=CC=CC(I)=C1C K49168 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.3 CC1=CC=CC(I)=C1Cl C45184 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.3 CC1=CC=CC(N)=C1Br B46073 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.3 CC1=CC=CC(N)=C1Cl C46091 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.3 CC1=CC=CC(N)=C1F A37863 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.3 CC1=CC=CC(N)=C1I K63048 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.3 CC1=CC=CC(N)=C1N M68904 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.3 CC1=CC=CC(O)=C1Br B45945 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.3 CC1=CC=CC(O)=C1F F45957 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.3 CC1=CC=CC(O)=C1N A46371 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.3 CC1=CC=CC(O)=C1O M68593 [0,1,0,1,0,0|0,0,1]=3 504 B9R1.3 CC1=CC=CC([Mg+])=C1C D31734 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.3 CC1=CC=NC(O)=C1Br B42883 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.3 CN1C(=O)C=CC=C1Br B42892 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.3 CN1C(=O)C=CC=C1Cl C42913 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.3 CN1C=CC=C(Br)C1=O B12857 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.3 CN1C=CC=C(N)C1=O A20230 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.3 NC1=C(Br)C=CC=C1O A32065 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.3 NC1=C(Cl)C=CC=C1O A42895 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.3 NC1=C(F)C=CC=C1O A42917 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.3 NC1=C(O)C=CC=C1O A38678 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.3 NC1=C(O)C=CC=C1O A43534 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.3 NC1=CC=CC(Br)=C1O A22810 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.3 NC1=CC=CC(Cl)=C1O A42896 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.3 NC1=CC=CC(F)=C1O F42923 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.3 NC1=CC=CC(N)=C1O D43538 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.3 NC1=CC=CC(O)=C1Br A15925 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.3 NC1=CC=CC(O)=C1F A32415 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.3 NC1=CC=CC(O)=C1N D43186 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.3 O=C1C(O)=CNC=C1F F29530 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.3 OC1=C(Br)C=CC=C1Br D68140 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.3 OC1=C(Br)C=CC=C1Cl B42339 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.3 OC1=C(Br)C=CC=C1F B36617 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.3 OC1=C(Cl)C=CC=C1F C68563 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.3 OC1=C(F)C=CC=C1F D68585 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.3 OC1=C(I)C=CC=C1Cl C42360 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.3 OC1=C(I)C=CC=C1F F42368 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.3 OC1=CC=CC(Br)=C1Cl B38460 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.3 OC1=CC=CC(Br)=C1F B42344 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.3 OC1=CC=CC(Br)=C1I B42349 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.3 OC1=CC=CC(Br)=C1O B38186 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.3 OC1=CC=CC(Cl)=C1Br B42338 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.3 OC1=CC=CC(Cl)=C1F C42354 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.3 OC1=CC=CC(Cl)=C1I C42361 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.3 OC1=CC=CC(F)=C1Br B38692 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.3 OC1=CC=CC(F)=C1Cl C11181 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.3 OC1=CC=CC(F)=C1O F42701 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.3 OC1=CC=CC(I)=C1Br B62730 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.3 OC1=CC=CC(I)=C1Cl C39072 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.3 OC1=CC=CC(O)=C1Cl C38394 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.3 OC1=CC=CC(O)=C1F F42703 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.5 NC1=CC=CC=CC1=O A62027 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.11 COC(=O)C1=CC=NN1 M12748 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|0,0,2]=4 550 B9R1.11 COC(=O)C1=CN=CN1 M14078 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.11 COC(=O)C1=CN=CN1 M41348 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.11 COC(=O)C1=CN=CO1 M40997 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.11 COC(=O)C1=CN=CS1 M2158 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.11 COC(=O)C1=CNC=C1 M37783 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.11 COC(=O)C1=CSC=C1 M12826 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.11 COC(=O)C1=CSC=N1 M2932 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.11 COC(=O)C1=NC=CN1 M11275 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.11 COC(=O)C1=NC=CS1 M40994 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,1,0,0|0,0,2]=4 561 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,1,0,1,0,0|1,1,0]=4 564 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.21 O=CC1=CC=C(C=O)S1 T42327 [0,1,0,1,0,0|1,1,0]=4 566 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.79 COC(=O)C=C1COC1 M5786 [0,1,0,1,0,0|1,0,1]=4 568 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,1,0,1,0,0|1,0,1]=4 573 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,1,0,1,0,0|1,0,1]=4 577 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,1,0,1,0,0|0,0,2]=4 578 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,1,0,1,0,0|1,0,1]=4 579 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,1,0,1,0,0|1,0,1]=4 580 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,1,0,1,0,0|0,0,2]=4 581 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,1,0,1,0,0|0,0,1]=3 582 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|0,0,2]=4 587 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|0,0,2]=4 588 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|0,0,2]=4 589 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,1,0,0|1,1,0]=4 592 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,1,0,0|1,0,0]=3 593 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.35 CC1=CC=C(B(O)O)O1 M4380 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.35 CC1=CC=C(B(O)O)S1 M4600 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,1,0,0|0,0,0]=2 604 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,1,0,0|0,0,0]=2 605 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,1,0,0|0,0,0]=2 606 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,1,0,1,0,0|1,0,0]=3 607 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.35 CC1=NC(C(N)=O)=CS1 M41050 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.35 CN1C=C(C(=O)O)C=N1 M7676 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.35 CN1C=CC(C(N)=O)=N1 M41144 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.35 NC1=CC(C(=O)O)=NN1 A13351 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.35 NC1=NC(C(=O)O)=CO1 A11266 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.35 NC1=NC(C(=O)O)=CS1 A2115 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.35 NC1=NC(C(=O)O)=CS1 A4882 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,1,0,1,0,0|0,0,2]=4 636 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,1,0,1,0,0|0,0,2]=4 637 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.35 O=C(O)C1=CC(Br)=NO1 I24762 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.35 O=C(O)C1=CC(O)=NO1 H37322 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,1,0,0|1,0,0]=3 645 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,1,0,1,0,0|1,0,0]=3 646 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.35 O=C(O)C1=COC(Br)=C1 B69658 [0,1,0,1,0,0|1,0,1]=4 654 B9R1.35 O=C(O)C1=COC(Br)=N1 B15227 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.35 O=C(O)C1=COC(Cl)=N1 C15228 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.35 O=C(O)C1=CSC(Br)=C1 B12752 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.35 O=C(O)C1=CSC(Br)=N1 B2124 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.35 O=C(O)C1=CSC(Cl)=C1 C7720 [0,1,0,1,0,0|1,0,1]=4 659 B9R1.35 O=C(O)C1=CSC(Cl)=N1 C2862 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.35 O=C(O)C1=CSC(F)=C1 F15451 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.35 O=C(O)C1=NNC(Br)=C1 B18673 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.35 O=C(O)C1=NNC(Cl)=C1 C26046 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.35 O=C(O)C1=NNC(O)=C1 H40078 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.69 CC1=C(Br)C=C(O)C=C1 B45948 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.69 CC1=C(Br)C=CC(Br)=C1 D39368 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 B9485 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.69 CC1=C(Br)C=CC(F)=C1 B45168 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.69 CC1=C(Br)C=CC(I)=C1 B45173 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.69 CC1=C(Br)C=CC(N)=C1 B61976 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.69 CC1=C(Br)C=CC(N)=C1 B67860 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.69 CC1=C(Br)C=CC(O)=C1 B39404 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.69 CC1=C(Br)C=NC(=O)N1 B40923 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.69 CC1=C(Br)C=NC(O)=C1 B21661 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.69 CC1=C(Cl)C=C(O)C=C1 C45955 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 B45163 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.69 CC1=C(Cl)C=CC(I)=C1 C45179 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.69 CC1=C(Cl)C=CC(N)=C1 C25031 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.69 CC1=C(Cl)C=CC([Mg+])=C1 C31776 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C42906 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.69 CC1=C(F)C=C(O)C=C1 F45960 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.69 CC1=C(F)C=CC(Cl)=C1 C45178 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.69 CC1=C(F)C=CC(F)=C1 D45185 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.69 CC1=C(F)C=CC(I)=C1 F39375 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.69 CC1=C(F)C=CC(N)=C1 F39413 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.69 CC1=C(F)C=CC(O)=C1 F45963 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.69 CC1=C(F)C=CC([Mg+])=C1 F31747 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.69 CC1=C(I)C=CC(=O)N1 K42938 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.69 CC1=C(I)C=CC(Br)=C1 B39374 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.69 CC1=C(I)C=CC(Cl)=C1 C45182 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.69 CC1=C(I)C=CC(F)=C1 F39376 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.69 CC1=C(I)C=CC(O)=C1 K45969 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.69 CC1=C(N)C=C(O)C=C1 A38014 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.69 CC1=C(N)C=CC(F)=C1 F68357 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.69 CC1=C(N)C=CC(I)=C1 K46119 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.69 CC1=C(N)C=CC(O)=C1 A39417 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.69 CC1=C(O)C=CC(Br)=C1 B45950 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.69 CC1=C(O)C=CC(F)=C1 F45962 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.69 CC1=C(O)C=CC(I)=C1 K45968 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.69 CC1=C(O)C=CC(N)=C1 A46374 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.69 CC1=C([Mg+])C=CC(Cl)=C1 C31775 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.69 CC1=C([Mg+])C=CC(F)=C1 F31746 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.69 CC1=CC(Br)=C(Br)C=C1 D45154 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 B45156 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.69 CC1=CC(Br)=C(I)C=C1 B45175 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 B67676 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.69 CC1=CC(Cl)=C(I)C=C1 C62467 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.69 CC1=CC(Cl)=C(N)C=C1 C69100 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.69 CC1=CC(F)=C(Br)C=C1 B39373 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.69 CC1=CC(F)=C(Cl)C=C1 C45177 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.69 CC1=CC(F)=C(F)C=C1 D45188 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.69 CC1=CC(F)=C(I)C=C1 F45193 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.69 CC1=CC(I)=C(Br)C=C1 B38445 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.69 CC1=CC(I)=C(F)C=C1 F45191 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.69 CC1=CC(I)=C(N)C=C1 K46116 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.69 CC1=CC(N)=C(Br)C=C1 B39410 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.69 CC1=CC(N)=C(Cl)C=C1 C46092 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.69 CC1=CC(N)=C(F)C=C1 A23738 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.69 CC1=CC(N)=C(I)C=C1 K46117 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.69 CC1=CC(N)=C(N)C=C1 D68596 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.69 CC1=CC(O)=CN=C1Br B42893 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.69 CC1=CC(O)=CN=C1Cl C15197 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.69 CC1=CC(O)=CN=C1F F62152 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.69 CC1=CN=C(N)C(=O)N1 A41143 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.69 CC1=NC(O)=C(Br)C=N1 B40917 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.69 CC1=NC(O)=C(F)C=N1 F40940 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.69 CC1=NC=C(Cl)C(=O)N1 C40935 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.69 NC1=C(Br)C=C(O)C=C1 A42879 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.69 NC1=C(Br)C=CC(O)=C1 A42877 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.69 NC1=C(Cl)C=C(O)C=C1 A42914 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.69 NC1=C(Cl)C=CC(O)=C1 A42898 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.69 NC1=C(F)C=C(O)C=C1 A42922 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.69 NC1=C(F)C=C(O)C=C1 A43526 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.69 NC1=C(F)C=CC(O)=C1 A42920 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.69 NC1=C(O)C=C(Br)C=C1 A36609 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.69 NC1=C(O)C=C(Cl)C=C1 A69179 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.69 NC1=C(O)C=C(F)C=C1 A42919 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.69 NC1=C(O)C=C(O)C=C1 A43536 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.69 NC1=C(O)C=CC(O)=C1 A36668 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.69 NC1=C(O)C=CC(O)=C1 A43535 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.69 NC1=CC(O)=C(Cl)C=C1 C42897 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.69 NC1=CC(O)=C(O)C=C1 A43430 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.69 NC1=CC=C(Br)NC1=O A40926 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.69 O=C1C=CC(Br)=C(F)N1 B62994 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.69 OC1=C(Br)C=CC(Br)=C1 D9405 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 B32295 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.69 OC1=C(Br)C=CC(F)=C1 B42343 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.69 OC1=C(Br)C=CC(I)=C1 B42348 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 B67837 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.69 OC1=C(Cl)C=CC(F)=C1 C42353 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.69 OC1=C(Cl)C=CC(I)=C1 C36714 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.69 OC1=C(F)C=CC(Br)=C1 B42347 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.69 OC1=C(F)C=CC(Cl)=C1 C42358 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.69 OC1=C(F)C=CC(F)=C1 D42364 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.69 OC1=C(F)C=CC(I)=C1 F36767 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.69 OC1=C(I)C=CC(Br)=C1 B28730 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.69 OC1=C(I)C=CC(Cl)=C1 C42363 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.69 OC1=C(O)C=C(Br)C=C1 B67979 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 B42340 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.69 OC1=CC(Br)=C(F)C=C1 B42345 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.69 OC1=CC(Br)=C(I)C=C1 B63427 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.69 OC1=CC(Cl)=C(Br)C=C1 B42342 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.69 OC1=CC(Cl)=C(F)C=C1 C42355 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.69 OC1=CC(Cl)=C(I)C=C1 C42362 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.69 OC1=CC(F)=C(Br)C=C1 B42346 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.69 OC1=CC(F)=C(Cl)C=C1 C37836 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.69 OC1=CC(F)=C(F)C=C1 D42365 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.69 OC1=CC(F)=C(I)C=C1 F42369 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.69 OC1=CC(O)=C(Br)C=C1 B42694 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.69 OC1=CC(O)=C(Cl)C=C1 C68880 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.69 OC1=CC(O)=C(F)C=C1 F42702 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.69 OC1=CC(O)=C(O)C=C1 B68356 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.69 OC1=CC=C(Cl)C(Cl)=N1 D40675 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.19 O=S(=O)(O)C1=CC=CS1 T40111 [0,1,0,1,0,0|2,0,0]=4