0 B6R0.1 C#C\C(C)=C/CO M43300 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C=C(OCC)[Zn]Cl E4486 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CC=CC(=O)CC H41457 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCOC(=O)C#N E15572 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)CN G69291 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCOC(=O)CO E37817 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCOC(=O)NN E39139 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCOC(=O)OC E40254 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCO\C(C)=N\O E68624 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 C=C(C)CON M40345 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|2,1,0]=4 18 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C\C(N)=C\C#N A60547 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 BrC\C=C\CBr D60806 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.2 NC\C=C/CCl C65470 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 NC\C=C/CN B69714 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 OC\C=C\CO B64254 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.3 C=CC(=O)NC M37664 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 CCC(=N)NO H39883 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.2 CC(C=O)=CN(C)C D41498 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.3 C=CC(=O)NCCN A41315 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|0,0,0]=1 39 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.5 CCOC(=O)C(N)=S E15645 [0,1,0,0,0,0|2,1,0]=4 45 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.7 CCOC(C)=NC#N E41191 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.1 COC1=NCCC1 M69559 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.1 O=CC1=CC=CN1 P64891 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.1 O=CC1=CC=CS1 T68614 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.1 O=CC1=CC=NO1 K40060 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,1,0,0|0,0,0]=1 57 B7R1.1 O=CC1=CN=CO1 X11928 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.1 O=CC1=CN=CS1 T2161 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.1 O=CC1=CNC=C1 P25022 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.1 O=CC1=CNN=C1 P0675 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 O=CC1=CNN=C1 P7759 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.1 O=CC1=COC=C1 F65465 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.1 O=CC1=CSC=C1 T12697 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.1 O=CC1=CSC=N1 T2159 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 O=CC1=NNC=C1 P23454 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 O=CC1=NOC=C1 I0114 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,1,0,0|0,0,2]=3 68 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,1,0,0|1,1,1]=4 69 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.2 CC1=CC=C(C)S1 D43320 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 CC1=CN(C)N=C1 D69464 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 CC1=CN(C)N=N1 D40221 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 CC1=CN=C(C)S1 D38993 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CC1=CNC(C)=N1 D41187 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CC1=CSC(C)=N1 D41174 [0,0,0,1,0,0|1,1,1]=4 76 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,1,0,0|1,1,1]=4 77 B7R1.2 CC1=NN(C)C=C1 D4115 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CN1C=C(Br)C=N1 B7572 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 CN1C=C(Cl)C=N1 C40119 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 CN1C=C(I)C=N1 I23483 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 CN1C=C(N)C=N1 A10471 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 CN1C=C(N)C=N1 M24961 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 CN1C=C(N)C=N1 M40360 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 CN1C=C(O)C=N1 M38839 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CN1C=C[N+](C)=C1 D23670 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 CC1=CN=CN=C1 M41018 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 CC1=CN=NC=C1 M3532 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.4 CC1=C(N)NN=C1 M13606 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.4 CC1=C(N)ON=C1 M40180 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.4 CC1=CNC=C1C D12050 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.4 CC1=CNN=C1Br B10968 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 CC1=CNN=C1C D22811 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 CC1=CNN=C1C D60965 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 CC1=CSC=C1Br B40866 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|1,1,1]=4 102 B7R1.4 CN1CCNC1=O M40241 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|0,0,2]=3 106 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.6 COC=C1COC1 M6231 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.25 CC1(C=O)COC1 M6233 [0,0,0,1,0,0|1,0,2]=4 113 B4R0.1 C=C(Br)CO B39863 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 C=C(I)CO I9998 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.2 CC(=O)C=C(C)N A41256 [1,1,0,0,0,0|0,0,1]=3 131 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.3 C=C(Br)C(=O)OC M40168 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.3 C=C(CBr)C(=O)O B40169 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.3 C=C(F)C(=O)OC M40171 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.3 CCC(=O)N(C)C D67412 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|0,0,1]=3 154 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|0,0,1]=3 158 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|0,0,1]=3 159 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|0,0,1]=3 163 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|0,0,2]=4 170 B6R0.6 C\C=C\C=C\CO H69109 [1,1,0,0,0,0|0,0,2]=4 171 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|0,0,2]=4 172 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|0,0,1]=3 178 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.13 COC(=O)C(C)(C)C=O M41471 [0,2,0,0,0,0|1,0,1]=4 190 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|0,0,1]=3 194 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,1]=4 196 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 197 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,1]=4 199 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 200 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,1]=3 202 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|0,0,2]=4 209 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,1,0,0|0,0,2]=4 212 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,1,0,1,0,0|1,1,0]=4 224 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,1,0,1,0,0|0,1,0]=3 230 B8R1.1 CCN1C=C(Br)C=N1 B9823 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.1 CCN1C=C(N)C=N1 A12746 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.1 CC[N+]1=CN(C)C=C1 E38121 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.1 CC[N+]1=CN(C)C=C1 E41405 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.1 CC[N+]1=CN(C)C=C1 E43585 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.1 CC[N+]1=CN(C)C=C1 E46615 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.1 CN1C=C(C=O)C=N1 M6127 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.1 CN1C=C(CBr)C=N1 B27149 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.1 CN1C=C(CN)C=N1 M16591 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.1 CN1C=C(CN)C=N1 M17032 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 CN1C=C(CN)C=N1 M9443 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.1 CN1C=C(CO)C=N1 M10343 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.1 CN1C=NC(C=O)=C1 M11287 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.1 CNC1=CN(C)N=C1 D41402 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,1,0,0|0,0,2]=4 248 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.18 CC1=CN(C)N=C1I K41134 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|0,0,0]=2 272 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|0,0,0]=2 273 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,1,0,0|0,0,2]=4 274 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,1,0,0|0,0,2]=4 275 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.5 CC1=CC=CNC1=O M68618 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.5 CC1=CC=NNC1=O M5790 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|0,0,2]=4 283 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|0,0,2]=4 284 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|0,0,1]=3 292 B8R1.50 CN1C(=O)CSC1=O M40160 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.50 CN1C(=O)CSC1=S M29859 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,0]=2 304 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.7 OB(O)C1=CCCC1 C41265 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|0,0,2]=4 317 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.11 CC1=C(CCl)NC=N1 C2452 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.11 CC1=CNN=C1CO M63844 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.11 CC1=CSC=C1C=O M29934 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.11 CC1=NNC=C1C=O M5838 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.11 CCC1=NC=CN1C E46632 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.11 CCN1C=CN=C1C E63017 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.11 CN1C=CC=C1C=O M17296 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.11 CN1N=CC=C1C=O M12515 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.11 CN1N=NC=C1C=O M40133 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.11 N#CC1=C(N)CCC1 A43185 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|0,0,2]=4