0 B4R0.1 C#CC(C)=O F52495 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)C 22832 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C#C[C@H](C)N P17981 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#C[C@H](C)O 55689 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#C[C@H](C)O F17654 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=C(C)C=O H10713 [0,0,0,0,0,0|0,0,2]=2 6 B4R0.1 C=C(C)CBr 29319 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 C=C(C)CN 29496 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.1 C=C(C)CO H10780 [0,0,0,0,0,0|0,0,4]=4 9 B4R0.1 C=CC(=O)[O-] D88317 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C=CC(=O)[O-] H10710 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C=C[C@H](C)O W13854 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 C=NN(C)C T72047 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 CC(=N)NO 74820 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CC(=O)CBr 76485 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 CC(=O)CN 24448 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CC(=O)NBr 70825 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CC(=O)NN AB6005 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(=O)NO 78370 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 CC(C)=CBr 29237 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 CC(C)=NO D70154 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 CC(C)CN D70621 [0,0,0,0,0,0|1,0,1]=2 22 B4R0.1 CC(C)NN 35766 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CC(C)NN C10400 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(C)NO 77595 [0,0,0,0,0,0|1,0,1]=2 25 B4R0.1 CC(C)ON 77602 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CC[C@H](C)O 70716 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 CC[C@H](C)O 70832 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CN(C)C=S 70822 [0,0,0,0,0,0|1,1,0]=2 29 B4R0.1 CN(C)N=O AT21751 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 CNC(C)C 39417 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CNN(C)C 66800 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 COC(Cl)Cl D87753 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.1 CSC(C)=O D82067 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 C[C@H](Br)C#N S12043 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 C[C@H](Cl)CO H11590 [0,0,0,0,0,0|1,0,2]=3 36 B4R0.1 C[C@H](Cl)CO O10168 [0,0,0,0,0,0|1,0,2]=3 37 B4R0.1 C[C@H](N)CN 35106 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 C[C@H](N)CN P20461 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 C[C@H](N)CO 28476 [0,0,0,0,0,0|1,0,2]=3 40 B4R0.1 C[C@H](N)CO 29970 [0,0,0,0,0,0|1,0,2]=3 41 B4R0.1 C[C@H](N)CO 29971 [0,0,0,0,0,0|1,0,2]=3 42 B4R0.1 C[C@H](O)CCl C10666 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 C[C@H](O)CCl D87799 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 C[C@H](O)CCl H11611 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 C[C@H](O)CN 86259 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 C[C@H](O)CN 86301 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 C[C@H](O)CN A10592 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.1 C[C@H](O)CO A11633 [0,0,0,0,0,0|1,0,2]=3 49 B4R0.1 C[C@H](O)CO A11634 [0,0,0,0,0,0|1,0,2]=3 50 B4R0.1 C[N+](C)=CCl D89427 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.1 C\C(N)=N\O 35620 [0,0,0,0,0,0|2,0,2]=4 52 B4R0.1 FC(F)CI 30620 [0,0,0,0,0,0|3,0,1]=4 53 B4R0.1 N#CC(Cl)Cl D90075 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.1 NCC(F)F O10557 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.1 O=CC(=O)O D70821 [0,0,0,0,0,0|2,0,1]=3 56 B4R0.1 O=CC(=O)O F14188 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.1 OCC(F)F FD2062 [0,0,0,0,0,0|2,0,2]=4 58 B3R0.1 Br\C=C/Br D89611 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 C#CCBr 28449 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 C#CCN 65315 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 C#CCN RB8001 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.1 C=CCC F17161 [1,0,0,0,0,0|1,0,0]=2 63 B3R0.1 C=CCI D78530 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.1 C=CC[Pd+] F10003 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.1 CCCN D74104 [1,0,0,0,0,0|1,0,1]=3 66 B3R0.1 CCCN D80322 [1,0,0,0,0,0|1,0,1]=3 67 B3R0.1 CCNC 28743 [1,0,0,0,0,0|2,0,0]=3 68 B3R0.1 CCNC D78313 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.1 CCNN D93746 [1,0,0,0,0,0|2,0,0]=3 70 B3R0.1 CCNO 77594 [1,0,0,0,0,0|1,0,1]=3 71 B3R0.1 CCON 35725 [1,0,0,0,0,0|2,0,0]=3 72 B3R0.1 CCSC D90442 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.1 CNNC F14608 [1,0,0,0,0,0|3,0,0]=4 74 B3R0.1 CNOC 60204 [1,0,0,0,0,0|3,0,0]=4 75 B3R0.1 COCBr D78328 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.1 CSCCl F20413 [1,0,0,0,0,0|2,0,1]=4 77 B3R0.1 C\C=N\O F13401 [1,0,0,0,0,0|1,0,2]=4 78 B3R0.1 ClCCBr D95298 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.1 Cl\C=C\Cl H11307 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.1 FCCI 29129 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.1 ICCI D70963 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.1 N#CCBr D88745 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 N#CCF P18220 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.1 N#CCI C10929 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 N#CCN 28451 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 NCCBr 12331 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.1 NCCCl D70641 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 NCCF 22877 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 NCCN T72638 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 NCCO F17546 [1,0,0,0,0,0|1,0,2]=4 91 B3R0.1 NCCO P20022 [1,0,0,0,0,0|1,0,2]=4 92 B3R0.1 NCCS D70222 [1,0,0,0,0,0|1,1,1]=4 93 B3R0.1 NCCS D88299 [1,0,0,0,0,0|1,1,1]=4 94 B3R0.1 NNC=O F11944 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 SCCS D78347 [1,0,0,0,0,0|1,1,1]=4 96 B3R0.2 C=C(C)Br 28419 [1,0,0,0,0,0|1,0,1]=3 97 B3R0.2 C=[N+](C)C D89898 [1,0,0,0,0,0|1,0,0]=2 98 B3R0.2 CB(O)O 26076 [1,0,0,0,0,0|2,0,1]=4 99 B3R0.2 CC(=O)O 29388 [1,0,0,0,0,0|1,0,1]=3 100 B3R0.2 CC(=O)O C90337 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.2 CC(=O)S D92569 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.2 CC(=O)[O-] 35848 [1,0,0,0,0,0|1,0,1]=3 103 B3R0.2 CC(=O)[O-] AC2542 [1,0,0,0,0,0|1,0,1]=3 104 B3R0.2 CC(=O)[O-] AC2625 [1,0,0,0,0,0|1,0,1]=3 105 B3R0.2 CC(=O)[O-] D70070 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.2 CC(=O)[O-] D74466 [1,0,0,0,0,0|1,0,1]=3 107 B3R0.2 CC(=O)[O-] D74596 [1,0,0,0,0,0|1,0,1]=3 108 B3R0.2 CC(=O)[O-] D77673 [1,0,0,0,0,0|1,0,1]=3 109 B3R0.2 CC(=O)[O-] D77909 [1,0,0,0,0,0|1,0,1]=3 110 B3R0.2 CC(=O)[O-] D78215 [1,0,0,0,0,0|1,0,1]=3 111 B3R0.2 CC(=O)[O-] D78216 [1,0,0,0,0,0|1,0,1]=3 112 B3R0.2 CC(=O)[O-] D81958 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.2 CC(=O)[O-] D84280 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.2 CC(=O)[O-] D88447 [1,0,0,0,0,0|1,0,1]=3 115 B3R0.2 CC(=O)[O-] D91230 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.2 CC(=O)[O-] D95368 [1,0,0,0,0,0|1,0,1]=3 117 B3R0.2 CC(=O)[O-] D95676 [1,0,0,0,0,0|1,0,1]=3 118 B3R0.2 CC(=O)[O-] D95836 [1,0,0,0,0,0|1,0,1]=3 119 B3R0.2 CC(=O)[O-] D95949 [1,0,0,0,0,0|1,0,1]=3 120 B3R0.2 CC(=O)[O-] D95967 [1,0,0,0,0,0|1,0,1]=3 121 B3R0.2 CC(=O)[O-] D95970 [1,0,0,0,0,0|1,0,1]=3 122 B3R0.2 CC(=O)[O-] D97851 [1,0,0,0,0,0|1,0,1]=3 123 B3R0.2 CC(=O)[O-] E70002 [1,0,0,0,0,0|1,0,1]=3 124 B3R0.2 CC(=O)[O-] H10718 [1,0,0,0,0,0|1,0,1]=3 125 B3R0.2 CC(C)Br D87619 [1,0,0,0,0,0|1,0,0]=2 126 B3R0.2 CC(C)N A10746 [1,0,0,0,0,0|1,0,0]=2 127 B3R0.2 CC(C)[O-] T72011 [1,0,0,0,0,0|0,0,1]=2 128 B3R0.2 CC(N)=S D70870 [1,0,0,0,0,0|1,1,1]=4 129 B3R0.2 CN(C)C F19571 [1,0,0,0,0,0|1,0,1]=3 130 B3R0.2 CN(C)N H10568 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.2 CP(C)C D81836 [1,0,0,0,0,0|1,0,1]=3 132 B3R0.2 CP(C)C F20488 [1,0,0,0,0,0|1,0,1]=3 133 B3R0.2 C[PH](C)=O 20677 [1,0,0,0,0,0|1,0,0]=2 134 B3R0.2 C[S+](C)Br D89000 [1,0,0,0,0,0|2,0,0]=3 135 B3R0.2 C[S+](C)C 11523 [1,0,0,0,0,0|1,0,1]=3 136 B3R0.2 C[S@](=O)[O-] 35930 [1,0,0,0,0,0|2,0,0]=3 137 B3R0.2 ClC(Br)Br D89312 [1,0,0,0,0,0|3,0,0]=4 138 B3R0.2 ClC(Cl)Br F17746 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.2 FC(Br)Br FD2037 [1,0,0,0,0,0|3,0,0]=4 140 B3R0.2 IC(I)I S12111 [1,0,0,0,0,0|3,0,0]=4 141 B3R0.2 NC(N)=O D70446 [1,0,0,0,0,0|2,0,1]=4 142 B3R0.2 O=C(O)O D78214 [1,0,0,0,0,0|2,0,1]=4 143 B3R0.2 O=C([O-])[O-] 29292 [1,0,0,0,0,0|2,0,1]=4 144 B3R0.2 O=C([O-])[O-] AC2635 [1,0,0,0,0,0|2,0,1]=4 145 B3R0.2 O=C([O-])[O-] D95733 [1,0,0,0,0,0|2,0,1]=4 146 B3R0.2 O=C([O-])[O-] H12045 [1,0,0,0,0,0|2,0,1]=4 147 B3R0.2 O=[N+]([O-])[O-] AC2340 [1,0,0,0,0,0|3,0,0]=4 148 B3R0.2 O=[N+]([O-])[O-] D78339 [1,0,0,0,0,0|3,0,0]=4 149 B3R0.2 O=[N+]([O-])[O-] D95172 [1,0,0,0,0,0|3,0,0]=4 150 B3R0.2 O=[N+]([O-])[O-] D95621 [1,0,0,0,0,0|3,0,0]=4 151 B3R0.2 O=[N+]([O-])[O-] D95671 [1,0,0,0,0,0|3,0,0]=4 152 B3R0.2 O=[N+]([O-])[O-] D95736 [1,0,0,0,0,0|3,0,0]=4 153 B3R0.2 O=[N+]([O-])[O-] D95950 [1,0,0,0,0,0|3,0,0]=4 154 B3R0.2 O=[N+]([O-])[O-] D95955 [1,0,0,0,0,0|3,0,0]=4 155 B3R0.2 O=[N+]([O-])[O-] D95968 [1,0,0,0,0,0|3,0,0]=4 156 B3R0.2 O=[N+]([O-])[O-] S10441 [1,0,0,0,0,0|3,0,0]=4 157 B3R0.2 O=[V](=O)[O-] D78051 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.1 C=CCN(C)C D89797 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 C=CC[C@H](C)O D92157 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.1 C=CNC(C)=O D92786 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.1 CC(=O)\C=N\O D72887 [0,1,0,0,0,0|1,0,2]=4 162 B5R0.1 CC(C)=CC=O 23180 [0,1,0,0,0,0|0,0,1]=2 163 B5R0.1 CC(C)=CCBr 75658 [0,1,0,0,0,0|1,0,1]=3 164 B5R0.1 CC(C)=CCO F20316 [0,1,0,0,0,0|0,0,2]=3 165 B5R0.1 CC(C)CC#N 30285 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.1 CC(C)CNN 86152 [0,1,0,0,0,0|1,0,1]=3 167 B5R0.1 CC(C)CON H10571 [0,1,0,0,0,0|0,0,2]=3 168 B5R0.1 CC(C)N=C=S 28415 [0,1,0,0,0,0|0,1,1]=3 169 B5R0.1 CC=C[C@H](C)O D84201 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.1 CCC[C@H](C)N 28967 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.1 CCC[C@H](C)O RB3003 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 CCC[C@H](C)O T72186 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.1 CCNC(C)C D77967 [0,1,0,0,0,0|1,0,1]=3 174 B5R0.1 CCO[SiH](C)C I11477 [0,1,0,0,0,0|1,1,1]=4 175 B5R0.1 CN(C)CC=O O10521 [0,1,0,0,0,0|1,0,0]=2 176 B5R0.1 CN(C)CCBr O10701 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 CN(C)CCCl D77997 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 CN(C)CCN S12293 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.1 CN(C)CCS 35911 [0,1,0,0,0,0|1,1,1]=4 180 B5R0.1 COC[C@H](C)O 35103 [0,1,0,0,0,0|1,0,2]=4 181 B5R0.1 COC[C@H](C)O O10158 [0,1,0,0,0,0|1,0,2]=4 182 B5R0.1 C[C@H](Br)CC#N D88813 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.1 C[C@H](Cl)CCCl D89632 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.1 C[C@H](N)CC#N N12426 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.1 C[C@H](N)CCO 36141 [0,1,0,0,0,0|1,0,2]=4 186 B5R0.1 C[C@H](N)CCO 36142 [0,1,0,0,0,0|1,0,2]=4 187 B5R0.1 C[C@H](N)CCO F11725 [0,1,0,0,0,0|1,0,2]=4 188 B5R0.1 C[C@H](O)CCO 55765 [0,1,0,0,0,0|1,0,2]=4 189 B5R0.1 C[C@H](O)CCO O10183 [0,1,0,0,0,0|1,0,2]=4 190 B5R0.1 C[C@H](O)CNN 71999 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.1 C[NH2+]CC(C)C D91375 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.1 C[Si](C)\C=C\Cl D89369 [0,1,0,0,0,0|1,1,0]=3 193 B5R0.1 C\C(N)=C/C#N F19804 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.1 C\C=C\C(C)=O F17125 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.3 C#C[C@@H](O)CC 75224 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.3 C=CC(=O)NC AB9590 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.3 C=CC(O)C=C A10932 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.3 C=C[C@@H](Cl)CCl D89774 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.3 C=C[C@@H](O)CC F15421 [0,1,0,0,0,0|2,0,0]=3 200 B5R0.3 C=C[C@@H](O)CO D79949 [0,1,0,0,0,0|2,0,0]=3 201 B5R0.3 CC(CBr)CBr 90917 [0,1,0,0,0,0|1,0,1]=3 202 B5R0.3 CC(CN)CN T72131 [0,1,0,0,0,0|1,0,1]=3 203 B5R0.3 CC(CO)CO D71170 [0,1,0,0,0,0|0,0,2]=3 204 B5R0.3 CCC(Br)CC H11324 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.3 CCC(N)CC S12161 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.3 CCN(C)CC D97580 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.3 CC[C@H](Br)CBr D89608 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.3 CC[C@H](C)CBr A10884 [0,1,0,0,0,0|1,0,1]=3 209 B5R0.3 CC[C@H](C)CCl D89411 [0,1,0,0,0,0|1,0,1]=3 210 B5R0.3 CC[C@H](C)CI D80608 [0,1,0,0,0,0|1,0,1]=3 211 B5R0.3 CC[C@H](C)CN F16114 [0,1,0,0,0,0|1,0,1]=3 212 B5R0.3 CC[C@H](C)CO 88664 [0,1,0,0,0,0|0,0,2]=3 213 B5R0.3 CC[C@H](C)CS D91431 [0,1,0,0,0,0|0,1,1]=3 214 B5R0.3 CC[C@H](C)NC D95752 [0,1,0,0,0,0|1,0,1]=3 215 B5R0.3 CC[C@H](C)NN 72197 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.3 CC[C@H](N)CO 23160 [0,1,0,0,0,0|1,0,2]=4 217 B5R0.3 CC[C@H](N)CO D87517 [0,1,0,0,0,0|1,0,2]=4 218 B5R0.3 CC[C@H](N)CO F14569 [0,1,0,0,0,0|1,0,2]=4 219 B5R0.3 CC[C@H](O)CN D97409 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.3 CC[C@H](O)CO C10640 [0,1,0,0,0,0|1,0,2]=4 221 B5R0.3 CC[C@H](O)CO O10222 [0,1,0,0,0,0|1,0,2]=4 222 B5R0.3 CN[C@@H](C)C#N 31879 [0,1,0,0,0,0|1,0,1]=3 223 B5R0.3 CON(C)C=O F11046 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.3 CO[C@@H](C)CN 91004 [0,1,0,0,0,0|1,0,1]=3 225 B5R0.3 CO[C@@H](C)CO 29137 [0,1,0,0,0,0|0,0,2]=3 226 B5R0.3 CO[C@@H](C)CO 35966 [0,1,0,0,0,0|0,0,2]=3 227 B5R0.3 CS\C(C)=N\O A11022 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.3 C[C@@H](CN)CO 78445 [0,1,0,0,0,0|0,0,2]=3 229 B5R0.3 C[C@@H](CN)CO AB10326 [0,1,0,0,0,0|0,0,2]=3 230 B5R0.3 ClCC(Cl)CCl D97722 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.3 NC(CO)CO F10927 [0,1,0,0,0,0|1,0,2]=4 232 B5R0.3 NCC(O)CN O10345 [0,1,0,0,0,0|2,0,1]=4 233 B5R0.3 NC[C@H](O)CCl 91258 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.3 NC[C@H](O)CCl F14970 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.3 NC[C@H](O)CO 52095 [0,1,0,0,0,0|1,0,2]=4 236 B5R0.3 NC[C@H](O)CO CL4509 [0,1,0,0,0,0|1,0,2]=4 237 B5R0.3 NC[C@H](O)CO H10491 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.3 O=CC(Br)C=O 23170 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.3 O=CC(Cl)C=O A11058 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.3 OC(CBr)CBr 90914 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.3 OCC(O)CO C13300 [0,1,0,0,0,0|1,0,2]=4 242 B5R0.3 OCC(O)CO D92249 [0,1,0,0,0,0|1,0,2]=4 243 B5R0.3 OC[C@H](Cl)CCl D89647 [0,1,0,0,0,0|1,0,2]=4 244 B5R0.3 OC[C@H](O)CBr D84178 [0,1,0,0,0,0|1,0,2]=4 245 B5R0.3 OC[C@H](O)CCl 28070 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.3 OC[C@H](O)CCl 28077 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.3 OC[C@H](O)CS D92320 [0,1,0,0,0,0|1,0,2]=4 248 B5R0.3 OC[C@H](S)CS D89691 [0,1,0,0,0,0|1,0,2]=4 249 B5R0.3 O[C@@H](CCl)CI D79037 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.3 O[C@@H](CCl)CI D79038 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.4 C#CC(C)(C)C F15435 [0,1,0,0,0,0|1,0,1]=3 252 B5R0.4 C#CC(C)(C)Cl 28822 [0,1,0,0,0,0|1,0,1]=3 253 B5R0.4 C#C[Si](C)(C)C 76805 [0,1,0,0,0,0|1,1,1]=4 254 B5R0.4 C=CC(C)(C)C D89799 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.4 C=CS(C)(=O)=O D95725 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.4 C=C[Si](C)(C)C 76807 [0,1,0,0,0,0|1,1,0]=3 257 B5R0.4 CC(C)(Br)C=O A12011 [0,1,0,0,0,0|0,0,0]=1 258 B5R0.4 CC(C)(C)C#N 75299 [0,1,0,0,0,0|1,0,1]=3 259 B5R0.4 CC(C)(C)CBr D78161 [0,1,0,0,0,0|1,0,1]=3 260 B5R0.4 CC(C)(C)CCl D89303 [0,1,0,0,0,0|1,0,1]=3 261 B5R0.4 CC(C)(C)CI AT22032 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.4 CC(C)(C)CN C10662 [0,1,0,0,0,0|1,0,1]=3 263 B5R0.4 CC(C)(C)CN H10567 [0,1,0,0,0,0|1,0,1]=3 264 B5R0.4 CC(C)(C)CO D78368 [0,1,0,0,0,0|0,0,2]=3 265 B5R0.4 CC(C)(C)N=O D95969 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.4 CC(C)(C)NN D70845 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.4 CC(C)(C)NO 77596 [0,1,0,0,0,0|1,0,1]=3 268 B5R0.4 CC(C)(C)NO 77597 [0,1,0,0,0,0|1,0,1]=3 269 B5R0.4 CC(C)(C)ON 29937 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.4 CC(C)(I)C#N T72013 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.4 CC(C)(N)C#N 25525 [0,1,0,0,0,0|1,0,1]=3 272 B5R0.4 CC(C)(N)C#N 28961 [0,1,0,0,0,0|1,0,1]=3 273 B5R0.4 CC(C)(N)CN 22841 [0,1,0,0,0,0|1,0,1]=3 274 B5R0.4 CC(C)(N)CO P20005 [0,1,0,0,0,0|0,0,2]=3 275 B5R0.4 CC(C)(O)CCl 28897 [0,1,0,0,0,0|1,0,1]=3 276 B5R0.4 CC(C)(O)CN 24534 [0,1,0,0,0,0|1,0,1]=3 277 B5R0.4 CC(C)(O)CN 62304 [0,1,0,0,0,0|1,0,1]=3 278 B5R0.4 CC(C)(O)CO 31979 [0,1,0,0,0,0|0,0,2]=3 279 B5R0.4 CC(C)(S)CN 39451 [0,1,0,0,0,0|1,0,1]=3 280 B5R0.4 CC(F)(F)CN 86673 [0,1,0,0,0,0|2,0,1]=4 281 B5R0.4 CC(F)(F)CO 60421 [0,1,0,0,0,0|1,0,2]=4 282 B5R0.4 CCC(C)(C)Br D88670 [0,1,0,0,0,0|1,0,1]=3 283 B5R0.4 CCC(C)(C)[O-] D94775 [0,1,0,0,0,0|1,0,1]=3 284 B5R0.4 CC[N+](C)(C)C D90453 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.4 CNC(C)(C)C D94509 [0,1,0,0,0,0|2,0,0]=3 286 B5R0.4 CO[Si](C)(C)C D94568 [0,1,0,0,0,0|2,1,0]=4 287 B5R0.4 CSC(C)(C)C D88816 [0,1,0,0,0,0|2,0,0]=3 288 B5R0.4 C[Si](C)(C)CBr D88871 [0,1,0,0,0,0|1,1,1]=4 289 B5R0.4 C[Si](C)(C)CI D73359 [0,1,0,0,0,0|1,1,1]=4 290 B5R0.4 C[Si](C)(C)CO S12036 [0,1,0,0,0,0|0,1,2]=4 291 B5R0.4 C[Si](C)(Cl)CBr D88701 [0,1,0,0,0,0|1,1,1]=4 292 B5R0.4 C[Si](C)(Cl)CCl I11126 [0,1,0,0,0,0|1,1,1]=4 293 B5R0.4 O=CC(Br)(Br)Br D92328 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.4 O=CC(F)(F)F F14926 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.4 [C-]#[N+]C(C)(C)C I11390 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.5 C=C(Br)C(=O)O AB10359 [0,1,0,0,0,0|1,0,2]=4 297 B5R0.5 C=C(C)C(=C)C F14891 [0,1,0,0,0,0|1,0,2]=4 298 B5R0.5 C=C(C)C(=O)[O-] F16474 [0,1,0,0,0,0|0,0,2]=3 299 B5R0.5 C=C(Cl)C(=O)O D93171 [0,1,0,0,0,0|1,0,2]=4 300 B5R0.5 C=C(F)C(=O)O 29128 [0,1,0,0,0,0|1,0,2]=4 301 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,1,0,0,0,0|1,0,1]=3 302 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,1,0,0,0,0|1,0,1]=3 303 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,1,0,0,0,0|1,0,1]=3 304 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.5 CC(=O)C(C)=O W18292 [0,1,0,0,0,0|1,0,1]=3 306 B5R0.5 CC(=O)C(F)F AC1257 [0,1,0,0,0,0|2,0,0]=3 307 B5R0.5 CC(=O)N(C)C D88939 [0,1,0,0,0,0|1,0,0]=2 308 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,1,0,0,0,0|1,0,0]=2 309 B5R0.5 CC(=O)[C@H](C)S D91540 [0,1,0,0,0,0|1,0,0]=2 310 B5R0.5 CC(Br)C(C)Br D89609 [0,1,0,0,0,0|2,0,1]=4 311 B5R0.5 CC(C)=C(C)Br F16090 [0,1,0,0,0,0|1,0,1]=3 312 B5R0.5 CC(C)B(O)O 33150 [0,1,0,0,0,0|1,0,1]=3 313 B5R0.5 CC(C)C(=N)N 73979 [0,1,0,0,0,0|1,0,0]=2 314 B5R0.5 CC(C)C(=O)[O-] D91080 [0,1,0,0,0,0|0,0,0]=1 315 B5R0.5 CC(C)C(N)=O 28439 [0,1,0,0,0,0|0,0,0]=1 316 B5R0.5 CC(C)C(N)=S 80829 [0,1,0,0,0,0|0,1,0]=2 317 B5R0.5 CC(C)N(C)C D95726 [0,1,0,0,0,0|2,0,0]=3 318 B5R0.5 CC(C)[C@H](C)S D91580 [0,1,0,0,0,0|0,1,1]=3 319 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,1,0,0,0,0|1,0,0]=2 320 B5R0.5 CC(O)C(=O)[O-] F16480 [0,1,0,0,0,0|1,0,0]=2 321 B5R0.5 CC(O)C(C)O F14836 [0,1,0,0,0,0|1,0,2]=4 322 B5R0.5 CC(O)C(C)S D91539 [0,1,0,0,0,0|1,0,2]=4 323 B5R0.5 CC(S)C(C)S D88972 [0,1,0,0,0,0|1,1,1]=4 324 B5R0.5 CN(C)C(=N)N 71016 [0,1,0,0,0,0|2,0,0]=3 325 B5R0.5 CN(C)C(=S)Cl AT19615 [0,1,0,0,0,0|1,1,0]=3 326 B5R0.5 CN(C)C(=S)[S-] D89765 [0,1,0,0,0,0|1,1,0]=3 327 B5R0.5 CN(C)C(N)=O D89723 [0,1,0,0,0,0|1,0,0]=2 328 B5R0.5 CN(C)C(N)=S F19159 [0,1,0,0,0,0|1,1,0]=3 329 B5R0.5 CN(N)C(N)=S H11592 [0,1,0,0,0,0|2,1,0]=4 330 B5R0.5 C[C@H](Br)C(=O)Br 13146 [0,1,0,0,0,0|1,0,0]=2 331 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [0,1,0,0,0,0|1,0,0]=2 332 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,1,0,0,0,0|1,0,0]=2 333 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,1,0,0,0,0|1,0,0]=2 334 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,1,0,0,0,0|1,0,0]=2 335 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [0,1,0,0,0,0|1,0,0]=2 336 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,1,0,0,0,0|1,0,0]=2 337 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,1,0,0,0,0|1,0,0]=2 338 B5R0.5 C[C@H](F)C(=O)O N12158 [0,1,0,0,0,0|1,0,0]=2 339 B5R0.5 C[C@H](N)C(=O)O 30773 [0,1,0,0,0,0|1,0,0]=2 340 B5R0.5 C[C@H](N)C(=O)O C75806 [0,1,0,0,0,0|1,0,0]=2 341 B5R0.5 C[C@H](N)C(=O)O D72543 [0,1,0,0,0,0|1,0,0]=2 342 B5R0.5 C[C@H](N)C(=O)O D84362 [0,1,0,0,0,0|1,0,0]=2 343 B5R0.5 C[C@H](N)C(N)=O 23091 [0,1,0,0,0,0|1,0,0]=2 344 B5R0.5 C[C@H](N)C(N)=O 30751 [0,1,0,0,0,0|1,0,0]=2 345 B5R0.5 C[C@H](N)C(N)=O 30913 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.5 C[C@H](N)C(N)=O 34538 [0,1,0,0,0,0|1,0,0]=2 347 B5R0.5 C[C@H](O)C(=O)O D71144 [0,1,0,0,0,0|1,0,0]=2 348 B5R0.5 C[C@H](O)C(=O)O F14892 [0,1,0,0,0,0|1,0,0]=2 349 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,1,0,0,0,0|1,0,0]=2 350 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,1,0,0,0,0|1,0,0]=2 351 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,1,0,0,0,0|1,0,0]=2 352 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,1,0,0,0,0|1,0,0]=2 353 B5R0.5 C[C@H](O)[C@H](C)O C73651 [0,1,0,0,0,0|1,0,2]=4 354 B5R0.5 C[N+](C)=C(Cl)Cl D89890 [0,1,0,0,0,0|2,0,0]=3 355 B5R0.5 NC(=O)C(=O)O A10798 [0,1,0,0,0,0|2,0,1]=4 356 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,1,0,0,0,0|2,0,1]=4 357 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,1,0,0,0,0|2,0,1]=4 358 B5R0.5 NC(=O)C(Cl)Cl D89626 [0,1,0,0,0,0|2,0,0]=3 359 B5R0.5 NC(=O)C(F)F D76959 [0,1,0,0,0,0|2,0,0]=3 360 B5R0.5 NC(=O)C(N)=O D70377 [0,1,0,0,0,0|2,0,1]=4 361 B5R0.5 O=C(O)C(=O)O 35743 [0,1,0,0,0,0|2,0,1]=4 362 B5R0.5 O=C(O)C(=O)O C11246 [0,1,0,0,0,0|2,0,1]=4 363 B5R0.5 O=C(O)C(F)F FD2068 [0,1,0,0,0,0|2,0,0]=3 364 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,1,0,0,0,0|2,0,0]=3 365 B5R0.5 O=C([O-])C(=O)[O-] 11920 [0,1,0,0,0,0|2,0,1]=4 366 B5R0.5 O=C([O-])C(=O)[O-] C13296 [0,1,0,0,0,0|2,0,1]=4 367 B5R0.5 O=C([O-])C(Cl)Cl F12025 [0,1,0,0,0,0|2,0,0]=3 368 B5R1.2 BrC1CCC1 23146 [0,0,0,1,0,0|2,0,1]=4 369 B5R1.2 BrC1CNC1 70950 [0,0,0,1,0,0|2,0,1]=4 370 B5R1.2 BrC1COC1 CS1302 [0,0,0,1,0,0|1,0,2]=4 371 B5R1.2 CC1CNC1 80306 [0,0,0,1,0,0|1,0,1]=3 372 B5R1.2 C[C@H]1CCN1 86769 [0,0,0,1,0,0|2,0,0]=3 373 B5R1.2 IC1COC1 66502 [0,0,0,1,0,0|1,0,2]=4 374 B5R1.2 NC1CCC1 51600 [0,0,0,1,0,0|2,0,1]=4 375 B5R1.2 NC1CCC1 F10463 [0,0,0,1,0,0|2,0,1]=4 376 B5R1.2 NC1CNC1 SC3251 [0,0,0,1,0,0|2,0,1]=4 377 B5R1.2 NC1COC1 66129 [0,0,0,1,0,0|1,0,2]=4 378 B5R1.2 NC1COC1 CS1335 [0,0,0,1,0,0|1,0,2]=4 379 B5R1.2 OC1CCC1 59166 [0,0,0,1,0,0|2,0,1]=4 380 B5R1.2 OC1CNC1 52824 [0,0,0,1,0,0|2,0,1]=4 381 B5R1.2 OC1COC1 66387 [0,0,0,1,0,0|1,0,2]=4 382 B5R1.2 OC1CSC1 P17229 [0,0,0,1,0,0|1,1,1]=4 383 B5R1.3 BrCC1CC1 23011 [0,0,0,1,0,0|1,0,1]=3 384 B5R1.3 BrC[C@H]1CO1 D87836 [0,0,0,1,0,0|2,0,1]=4 385 B5R1.3 C#CC1CC1 F15427 [0,0,0,1,0,0|1,0,1]=3 386 B5R1.3 C=C[C@@H]1CO1 D90487 [0,0,0,1,0,0|2,0,0]=3 387 B5R1.3 CC[C@H]1CO1 A11382 [0,0,0,1,0,0|2,0,1]=4 388 B5R1.3 CNC1CC1 83251 [0,0,0,1,0,0|2,0,0]=3 389 B5R1.3 CNC1CC1 BL006056 [0,0,0,1,0,0|2,0,0]=3 390 B5R1.3 ClCC1CC1 58186 [0,0,0,1,0,0|1,0,1]=3 391 B5R1.3 ClC[C@H]1CO1 37930 [0,0,0,1,0,0|2,0,1]=4 392 B5R1.3 NCC1CC1 F11902 [0,0,0,1,0,0|1,0,1]=3 393 B5R1.3 O=CC1CC1 82833 [0,0,0,1,0,0|0,0,0]=1 394 B5R1.3 OC[C@H]1CO1 23077 [0,0,0,1,0,0|1,0,2]=4 395 B5R1.3 OC[C@H]1CO1 A10767 [0,0,0,1,0,0|1,0,2]=4 396 B5R1.3 OC[C@H]1CO1 H11320 [0,0,0,1,0,0|1,0,2]=4 397 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,0,0,1,0,0|2,0,1]=4 398 B5R1.5 CC1(C)CO1 75298 [0,0,0,1,0,0|0,0,2]=3 399 B5R1.5 CC1(N)CC1 26732 [0,0,0,1,0,0|2,0,1]=4 400 B2R0.1 BrCI S11031 [2,0,0,0,0,0|2,0,0]=4 401 B2R0.1 C=NO 28803 [2,0,0,0,0,0|2,0,0]=4 402 B2R0.1 CC#N 34239 [2,0,0,0,0,0|1,0,1]=4 403 B2R0.1 CC=O D78540 [2,0,0,0,0,0|0,0,0]=2 404 B2R0.1 CC[O-] D78336 [2,0,0,0,0,0|0,0,1]=3 405 B2R0.1 CC[S-] H10136 [2,0,0,0,0,0|0,1,0]=3 406 B2R0.1 CNO 77593 [2,0,0,0,0,0|1,0,1]=4 407 B2R0.1 CON C93493 [2,0,0,0,0,0|2,0,0]=4 408 B2R0.1 C[SnH4+2]C D90313 [2,0,0,0,0,0|1,0,0]=3 409 B2R0.1 C[SnH4+2]C H11302 [2,0,0,0,0,0|1,0,0]=3 410 B2R0.1 ClCI D78022 [2,0,0,0,0,0|2,0,0]=4 411 B2R0.1 N=CN 78939 [2,0,0,0,0,0|2,0,0]=4 412 B2R0.1 O=CO 43929 [2,0,0,0,0,0|1,0,0]=3 413 B2R0.1 O=CO D78097 [2,0,0,0,0,0|1,0,0]=3 414 B2R0.1 O=C[O-] D95946 [2,0,0,0,0,0|1,0,0]=3 415 B2R0.1 O=N[O-] D95565 [2,0,0,0,0,0|2,0,0]=4 416 B2R0.1 O=[13CH][O-] 41420 [2,0,0,0,0,0|1,0,0]=3 417 B2R0.1 O=[Ge]=O F20443 [2,0,0,0,0,0|1,1,0]=4 418 B2R0.1 O=[Si]=O C13405 [2,0,0,0,0,0|1,1,0]=4 419 B2R0.1 O=[Si]=O D78143 [2,0,0,0,0,0|1,1,0]=4 420 B2R0.1 O=[Te]=O D92683 [2,0,0,0,0,0|2,0,0]=4 421 B2R0.1 [2H]OC D95537 [2,0,0,0,0,0|2,0,0]=4 422 B4R0.2 C#CCCBr F11435 [1,1,0,0,0,0|1,0,1]=4 423 B4R0.2 C#CCCO 24606 [1,1,0,0,0,0|1,0,1]=4 424 B4R0.2 C#CCNC 76738 [1,1,0,0,0,0|1,0,1]=4 425 B4R0.2 C#CCOC AT19953 [1,1,0,0,0,0|1,0,1]=4 426 B4R0.2 C=CCCBr D78125 [1,1,0,0,0,0|1,0,0]=3 427 B4R0.2 C=CCCC FD10489 [1,1,0,0,0,0|1,0,0]=3 428 B4R0.2 C=CCCCl 43989 [1,1,0,0,0,0|1,0,0]=3 429 B4R0.2 C=CCCN 68196 [1,1,0,0,0,0|1,0,0]=3 430 B4R0.2 C=CCCO P16638 [1,1,0,0,0,0|1,0,0]=3 431 B4R0.2 C=CCNC F21270 [1,1,0,0,0,0|1,0,0]=3 432 B4R0.2 C=CCNN 72911 [1,1,0,0,0,0|2,0,0]=4 433 B4R0.2 C=CCOC D88491 [1,1,0,0,0,0|1,0,0]=3 434 B4R0.2 C=CCON 77603 [1,1,0,0,0,0|2,0,0]=4 435 B4R0.2 C=CCSC D88380 [1,1,0,0,0,0|1,0,0]=3 436 B4R0.2 C=COCC P19610 [1,1,0,0,0,0|1,0,0]=3 437 B4R0.2 CCCNC A10770 [1,1,0,0,0,0|1,0,1]=4 438 B4R0.2 CCCNN C10870 [1,1,0,0,0,0|1,0,1]=4 439 B4R0.2 CCN=C=S D94745 [1,1,0,0,0,0|0,1,1]=4 440 B4R0.2 CCNC=O F19558 [1,1,0,0,0,0|0,0,0]=2 441 B4R0.2 CCNCC D78025 [1,1,0,0,0,0|1,0,1]=4 442 B4R0.2 CCNCC D89842 [1,1,0,0,0,0|1,0,1]=4 443 B4R0.2 CCNCC D90318 [1,1,0,0,0,0|1,0,1]=4 444 B4R0.2 CCNOC D80678 [1,1,0,0,0,0|1,0,1]=4 445 B4R0.2 CCOCCl D89215 [1,1,0,0,0,0|1,0,1]=4 446 B4R0.2 CNCC#N 36732 [1,1,0,0,0,0|1,0,1]=4 447 B4R0.2 CNCCBr F13405 [1,1,0,0,0,0|1,0,1]=4 448 B4R0.2 CNCCCl 71064 [1,1,0,0,0,0|1,0,1]=4 449 B4R0.2 CNCCN D76853 [1,1,0,0,0,0|1,0,1]=4 450 B4R0.2 CNCCN SC1801 [1,1,0,0,0,0|1,0,1]=4 451 B4R0.2 COCC#N 35354 [1,1,0,0,0,0|1,0,1]=4 452 B4R0.2 COCCBr P19803 [1,1,0,0,0,0|1,0,1]=4 453 B4R0.2 COCCN F14847 [1,1,0,0,0,0|1,0,1]=4 454 B4R0.2 CSCC#N D91408 [1,1,0,0,0,0|1,0,1]=4 455 B4R0.2 CSCCBr 79497 [1,1,0,0,0,0|1,0,1]=4 456 B4R0.2 CSCCO 28828 [1,1,0,0,0,0|0,0,2]=4 457 B4R0.2 CSCSC D88765 [1,1,0,0,0,0|2,0,0]=4 458 B4R0.2 C\C=C/CC D91891 [1,1,0,0,0,0|1,0,0]=3 459 B4R0.2 C\C=C\OC 28751 [1,1,0,0,0,0|0,0,2]=4 460 B4R0.2 ClCCCI AC1314 [1,1,0,0,0,0|1,0,1]=4 461 B4R0.2 Cl\C=C\CCl A11332 [1,1,0,0,0,0|1,0,1]=4 462 B4R0.2 FCCCI S11237 [1,1,0,0,0,0|1,0,1]=4 463 B4R0.2 ICCCI A10836 [1,1,0,0,0,0|1,0,1]=4 464 B4R0.2 N#CCCBr 13138 [1,1,0,0,0,0|1,0,1]=4 465 B4R0.2 N#CCCN D77355 [1,1,0,0,0,0|1,0,1]=4 466 B4R0.2 N#CCCO D77638 [1,1,0,0,0,0|1,0,1]=4 467 B4R0.2 N#CCCS A10937 [1,1,0,0,0,0|1,0,1]=4 468 B4R0.2 NCCCBr AC7868 [1,1,0,0,0,0|1,0,1]=4 469 B4R0.2 NCCCCl D70608 [1,1,0,0,0,0|1,0,1]=4 470 B4R0.2 NCCCO D77871 [1,1,0,0,0,0|0,0,2]=4 471 B4R0.2 NCCON SC1781 [1,1,0,0,0,0|2,0,0]=4 472 B4R0.2 NNCCO D77684 [1,1,0,0,0,0|2,0,0]=4 473 B4R0.2 NOCCO 32348 [1,1,0,0,0,0|2,0,0]=4 474 B4R0.2 O=C[N-]C=O 78203 [1,1,0,0,0,0|1,0,1]=4 475 B4R0.2 OCCCBr 36754 [1,1,0,0,0,0|0,0,2]=4 476 B4R0.2 OCCCF 61100 [1,1,0,0,0,0|0,0,2]=4 477 B4R0.2 OCCCI 75858 [1,1,0,0,0,0|0,0,2]=4 478 B4R0.2 SCCCS F20376 [1,1,0,0,0,0|0,1,1]=4 479 B4R0.3 CC(C)(C)I D88747 [1,1,0,0,0,0|0,0,1]=3 480 B4R0.3 CC(C)(C)N D83855 [1,1,0,0,0,0|0,0,1]=3 481 B4R0.3 CC(C)(C)N D89117 [1,1,0,0,0,0|0,0,1]=3 482 B4R0.3 CC(C)(C)N F14004 [1,1,0,0,0,0|0,0,1]=3 483 B4R0.3 CC(C)(C)[O-] D78008 [1,1,0,0,0,0|0,0,1]=3 484 B4R0.3 CC(C)(C)[O-] D78330 [1,1,0,0,0,0|0,0,1]=3 485 B4R0.3 CC(C)(C)[O-] D88327 [1,1,0,0,0,0|0,0,1]=3 486 B4R0.3 CP(=O)(O)O D95909 [1,1,0,0,0,0|2,0,0]=4 487 B4R0.3 CS(=O)(=O)O AT25153 [1,1,0,0,0,0|2,0,0]=4 488 B4R0.3 CS(=O)(=O)[O-] A11504 [1,1,0,0,0,0|2,0,0]=4 489 B4R0.3 CS(=O)(=O)[O-] D82065 [1,1,0,0,0,0|2,0,0]=4 490 B4R0.3 CS(=O)(=O)[O-] E70319 [1,1,0,0,0,0|2,0,0]=4 491 B4R0.3 CS(=O)(=O)[S-] W18874 [1,1,0,0,0,0|2,0,0]=4 492 B4R0.3 CS(C)(=N)=O F31251 [1,1,0,0,0,0|1,0,0]=3 493 B4R0.3 CS(C)(=O)=O D70240 [1,1,0,0,0,0|1,0,0]=3 494 B4R0.3 CS(N)(=O)=O AC7862 [1,1,0,0,0,0|2,0,0]=4 495 B4R0.3 C[N+](C)(C)C A10946 [1,1,0,0,0,0|1,0,1]=4 496 B4R0.3 C[N+](C)(C)C AC7796 [1,1,0,0,0,0|1,0,1]=4 497 B4R0.3 C[N+](C)(C)C AT22119 [1,1,0,0,0,0|1,0,1]=4 498 B4R0.3 C[N+](C)(C)C D77756 [1,1,0,0,0,0|1,0,1]=4 499 B4R0.3 C[N+](C)(C)C D78250 [1,1,0,0,0,0|1,0,1]=4 500 B4R0.3 C[N+](C)(C)C D95388 [1,1,0,0,0,0|1,0,1]=4 501 B4R0.3 C[N+](C)(C)C D95778 [1,1,0,0,0,0|1,0,1]=4 502 B4R0.3 C[N+](C)(C)C FD10633 [1,1,0,0,0,0|1,0,1]=4 503 B4R0.3 C[N+](C)(C)C H10703 [1,1,0,0,0,0|1,0,1]=4 504 B4R0.3 C[N+](C)(C)C H10935 [1,1,0,0,0,0|1,0,1]=4 505 B4R0.3 C[N+](C)(C)C O12146 [1,1,0,0,0,0|1,0,1]=4 506 B4R0.3 C[N+](C)(C)[O-] D70574 [1,1,0,0,0,0|1,0,1]=4 507 B4R0.3 C[S+](C)(C)=O A11312 [1,1,0,0,0,0|1,0,0]=3 508 B4R0.3 C[S+](C)(C)=O AC7850 [1,1,0,0,0,0|1,0,0]=3 509 B4R0.3 C[S+](C)(C)=O AC8170 [1,1,0,0,0,0|1,0,0]=3 510 B4R0.3 C[Si](C)(C)Br D88750 [1,1,0,0,0,0|0,1,1]=4 511 B4R0.3 C[Si](C)(C)I F15417 [1,1,0,0,0,0|0,1,1]=4 512 B4R0.3 C[Si](C)(C)[O-] 76749 [1,1,0,0,0,0|0,1,1]=4 513 B4R0.3 C[Si](C)(C)[O-] D86377 [1,1,0,0,0,0|0,1,1]=4 514 B4R0.3 C[Sn](C)(C)C D95827 [1,1,0,0,0,0|1,0,1]=4 515 B6R0.1 C=C[C@@H](O)CCC D90922 [0,2,0,0,0,0|2,0,0]=4 516 B6R0.1 CCC[C@H](C)CCl D89415 [0,2,0,0,0,0|1,0,1]=4 517 B6R0.1 CCO[C@@H](C)CC D88933 [0,2,0,0,0,0|1,0,1]=4 518 B6R0.1 CN(C=O)CCO AC2477 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.1 CO[C@@H](C)CCO D77758 [0,2,0,0,0,0|0,0,2]=4 520 B6R0.1 CS[C@@H](C)CC=O D91557 [0,2,0,0,0,0|0,0,0]=2 521 B6R0.1 C[C@H](CO)CCN 78036 [0,2,0,0,0,0|0,0,2]=4 522 B6R0.1 C[C@H](CO)CCO 63982 [0,2,0,0,0,0|0,0,2]=4 523 B6R0.1 C[C@H](CO)CCO 70021 [0,2,0,0,0,0|0,0,2]=4 524 B6R0.1 C\C(=C/N=O)NO 74110 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.2 CC(=O)NC(C)=O D97387 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.2 CC(=O)NC(C)C N12028 [0,2,0,0,0,0|0,0,0]=2 527 B6R0.2 CC(=O)NC(N)=O D88216 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.2 CC(=O)O[C@H](C)Br 39292 [0,2,0,0,0,0|1,0,0]=3 529 B6R0.2 CC(=O)SC(C)=O T70772 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [0,2,0,0,0,0|1,0,1]=4 531 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.2 CC(=O)\C=C(/C)[O-] E70001 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.2 CC(=O)\C=C(\C)N A11050 [0,2,0,0,0,0|1,0,1]=4 537 B6R0.2 CC(=O)\C=C(\C)[O-] AC1284 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.2 CC(=O)\C=C(\C)[O-] D70887 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.2 CC(=O)\C=C(\C)[O-] D80380 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.2 CC(=O)\C=C(\C)[O-] D91066 [0,2,0,0,0,0|1,0,1]=4 541 B6R0.2 CC(=O)\C=C(\C)[O-] D92375 [0,2,0,0,0,0|1,0,1]=4 542 B6R0.2 CC(=O)\C=C(\C)[O-] H10683 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.2 CC(=O)\C=C(\C)[O-] H10696 [0,2,0,0,0,0|1,0,1]=4 544 B6R0.2 CC(=O)\C=C(\C)[O-] H11255 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.2 CC(=O)\C=C(\C)[O-] H11309 [0,2,0,0,0,0|1,0,1]=4 546 B6R0.2 CC(=O)\C=C(\C)[O-] T70257 [0,2,0,0,0,0|1,0,1]=4 547 B6R0.2 CC(C)=CB(O)O F16057 [0,2,0,0,0,0|0,0,2]=4 548 B6R0.2 CC(C)=CC(=O)O D78089 [0,2,0,0,0,0|0,0,1]=3 549 B6R0.2 CC(C)=NN(C)C D88379 [0,2,0,0,0,0|2,0,0]=4 550 B6R0.2 CC(C)CB(O)O 33194 [0,2,0,0,0,0|0,0,2]=4 551 B6R0.2 CC(C)CC(=O)O D78213 [0,2,0,0,0,0|0,0,0]=2 552 B6R0.2 CC(C)C[C@H](C)N 40017 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.2 CC(C)NC(C)C 41183 [0,2,0,0,0,0|1,0,1]=4 554 B6R0.2 CC(C)NC(C)C D89143 [0,2,0,0,0,0|1,0,1]=4 555 B6R0.2 CC(C)NC(C)C D94741 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.2 CC(C)NC(C)C D95064 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.2 CC(C)NC(N)=S D86344 [0,2,0,0,0,0|0,1,0]=3 558 B6R0.2 CC(C)OC(=S)[S-] D91095 [0,2,0,0,0,0|0,1,0]=3 559 B6R0.2 CC(C)OC(N)=O D81825 [0,2,0,0,0,0|0,0,0]=2 560 B6R0.2 CN(C)CC(=O)Cl A50815 [0,2,0,0,0,0|1,0,0]=3 561 B6R0.2 CN(C)CC(=O)O 28781 [0,2,0,0,0,0|1,0,0]=3 562 B6R0.2 CN(C)CC(=O)O 73674 [0,2,0,0,0,0|1,0,0]=3 563 B6R0.2 CN(C)CC(N)=S F15120 [0,2,0,0,0,0|1,1,0]=4 564 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [0,2,0,0,0,0|1,0,0]=3 565 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.2 C[C@H](Cl)OC(=O)Cl D78332 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.2 C[C@H](N)CC(=O)O 62356 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.2 C[C@H](N)CC(=O)O 62357 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.2 C[C@H](N)CC(=O)O 62358 [0,2,0,0,0,0|1,0,0]=3 570 B6R0.2 C[C@H](N)CC(=O)O 62359 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.2 C[C@H](N)CC(=O)O 62363 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.2 C[C@H](O)CC(=O)O D84191 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.2 C[C@H](O)CC(=O)O O10175 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [0,2,0,0,0,0|1,0,0]=3 575 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.3 C#CC(=O)N(C)C D93417 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.3 C=CC(=O)N(C)C D70136 [0,2,0,0,0,0|1,0,0]=3 578 B6R0.3 C=CC(=O)N(C)C D78231 [0,2,0,0,0,0|1,0,0]=3 579 B6R0.3 C=CN(C)C(C)=O D78236 [0,2,0,0,0,0|1,0,1]=4 580 B6R0.3 CC(=O)C(=O)CBr 23277 [0,2,0,0,0,0|1,0,1]=4 581 B6R0.3 CC(=O)[C@H](C)C#N 50820 [0,2,0,0,0,0|0,0,1]=3 582 B6R0.3 CC(=O)\C(C)=N\O F21281 [0,2,0,0,0,0|1,0,1]=4 583 B6R0.3 CC(C)C(=N)NO 71448 [0,2,0,0,0,0|0,0,1]=3 584 B6R0.3 CC(C)C(=N)NO AC7221 [0,2,0,0,0,0|0,0,1]=3 585 B6R0.3 CC(C)C(=O)CBr 24581 [0,2,0,0,0,0|0,0,0]=2 586 B6R0.3 CC(C)C(=O)NN 71035 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.3 CC(C)[C@@H](N)CO 23132 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.3 CC(C)[C@@H](N)CO 39407 [0,2,0,0,0,0|0,0,2]=4 589 B6R0.3 CC(C)[C@@H](N)CO A10466 [0,2,0,0,0,0|0,0,2]=4 590 B6R0.3 CC(C)\C(N)=N\O 71215 [0,2,0,0,0,0|0,0,1]=3 591 B6R0.3 CCC(=O)C(=O)O O10846 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [0,2,0,0,0,0|1,0,1]=4 593 B6R0.3 CCC(=O)N(C)C A10841 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.3 CCC(=S)N(C)C D81484 [0,2,0,0,0,0|1,1,0]=4 596 B6R0.3 CCN(C)C(=O)Cl F20387 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [0,2,0,0,0,0|1,0,0]=3 599 B6R0.3 CC[C@H](Br)C(=O)O P18633 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.3 CC[C@H](Br)C(=O)O P18634 [0,2,0,0,0,0|1,0,0]=3 601 B6R0.3 CC[C@H](Br)C(N)=O F30757 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.3 CC[C@H](C)B(O)O 33152 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.3 CC[C@H](C)C(=O)O 88657 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.3 CC[C@H](C)C(=O)O 88663 [0,2,0,0,0,0|0,0,0]=2 605 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.3 CC[C@H](N)C(=O)O 11781 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.3 CC[C@H](N)C(=O)O 23105 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.3 CC[C@H](N)C(=O)O 25309 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.3 CC[C@H](N)C(=O)O 80046 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.3 CC[C@H](N)C(N)=O F11533 [0,2,0,0,0,0|1,0,0]=3 611 B6R0.3 CC[C@H](O)C(=O)O 24676 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.3 CC[C@H](O)C(=O)O A11368 [0,2,0,0,0,0|1,0,0]=3 613 B6R0.3 CC[C@H](O)C(=O)O D90822 [0,2,0,0,0,0|1,0,0]=3 614 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.3 CN(C)C(=O)CBr 36126 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.3 CN(C)C(=O)CCl 28569 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.3 CN(C)C(=O)CN 24099 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.3 CN(C)C(=O)CN S10593 [0,2,0,0,0,0|1,0,0]=3 620 B6R0.3 CN(C)C(=O)CO C77616 [0,2,0,0,0,0|1,0,0]=3 621 B6R0.3 CN(C)C(=S)NN A12761 [0,2,0,0,0,0|1,1,0]=4 622 B6R0.3 CN(N=O)C(N)=O 29290 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.3 CNC(=O)C(=O)O W11373 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.3 CN[C@@H](C)C(=O)O 28475 [0,2,0,0,0,0|0,0,0]=2 625 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [0,2,0,0,0,0|0,0,0]=2 626 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [0,2,0,0,0,0|0,0,0]=2 627 B6R0.3 COC(=O)C(=O)Cl 28805 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.3 COC(=O)C(=O)[O-] S12240 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.3 COC(=O)C(F)F D91567 [0,2,0,0,0,0|2,0,0]=4 630 B6R0.3 COC(=O)[C@H](C)Cl 63239 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.3 COC(=O)[C@H](C)Cl O10227 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.3 COC(=O)[C@H](C)N AB10084 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.3 COC(=O)[C@H](C)N AC7812 [0,2,0,0,0,0|1,0,0]=3 634 B6R0.3 COC(=O)[C@H](C)N FD21010 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.3 COC(=O)[C@H](C)O C10549 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.3 COC(=O)[C@H](C)O F11215 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.3 COC(C)C(C)O 78000 [0,2,0,0,0,0|0,0,2]=4 638 B6R0.3 CON(C)C(=O)Cl D91579 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.3 CON(C)C(C)=O O12025 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.3 CO[C@@H](C)C(=O)O 25435 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.3 CO[C@@H](C)C(=O)O 77786 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [0,2,0,0,0,0|0,0,0]=2 643 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [0,2,0,0,0,0|0,0,0]=2 644 B6R0.3 C[C@@H](CN)C(=O)O 22851 [0,2,0,0,0,0|0,0,0]=2 645 B6R0.3 C[C@@H](CN)C(=O)O 52204 [0,2,0,0,0,0|0,0,0]=2 646 B6R0.3 C[C@@H](CS)C(=O)O D91461 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.3 C\C=C(/C)C(=O)Cl F11166 [0,2,0,0,0,0|0,0,1]=3 648 B6R0.3 C\C=C(/C)C(=O)O D78012 [0,2,0,0,0,0|0,0,1]=3 649 B6R0.3 C\C=C(\C)C(=O)O 11732 [0,2,0,0,0,0|0,0,1]=3 650 B6R0.3 N#C[C@@H](N)C(N)=O 51081 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.3 NC(=O)[C@@H](Br)CBr D95258 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.3 NC(=O)[C@@H](Cl)CCl D89971 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.3 NC(=O)[C@@H](N)CO 71065 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [0,2,0,0,0,0|1,0,0]=3 655 B6R0.3 NC[C@H](N)C(=O)O 22838 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.3 NC[C@H](N)C(=O)O 51944 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.3 NC[C@H](N)C(=O)O 51945 [0,2,0,0,0,0|1,0,0]=3 658 B6R0.3 NC[C@H](N)C(=O)O FD1046 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.3 NC[C@H](O)C(=O)O 50049 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.3 NC[C@H](O)C(=O)O C10711 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,2,0,0,0,0|1,0,0]=3 666 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.3 N[C@@H](CS)C(=O)O 22868 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.3 N[C@@H](CS)C(=O)O 24506 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.3 N[C@@H](CS)C(=O)O 37900 [0,2,0,0,0,0|1,0,0]=3 670 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.3 N[C@@H](CS)C(=O)O E72644 [0,2,0,0,0,0|1,0,0]=3 672 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [0,2,0,0,0,0|1,0,0]=3 673 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [0,2,0,0,0,0|1,0,0]=3 674 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [0,2,0,0,0,0|1,0,0]=3 676 B6R0.3 O=C(Cl)[C@@H](Br)CBr D78346 [0,2,0,0,0,0|1,0,0]=3 677 B6R0.3 O=C(O)C(=O)CBr 21724 [0,2,0,0,0,0|1,0,1]=4 678 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,2,0,0,0,0|1,0,0]=3 682 B6R0.4 CC(C)=CCCBr F19983 [0,2,0,0,0,0|1,0,1]=4 683 B6R0.4 CC(C)CCCBr O10389 [0,2,0,0,0,0|1,0,1]=4 684 B6R0.4 CC(C)CCCO F20439 [0,2,0,0,0,0|0,0,2]=4 685 B6R0.4 CC(C)NCCCl 20398 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.4 CC(C)NCCO D78491 [0,2,0,0,0,0|0,0,2]=4 687 B6R0.4 CCOCC(C)C D93520 [0,2,0,0,0,0|0,0,2]=4 688 B6R0.4 CN(C)\C=C\C#N 60560 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.4 CN(C)\C=C\C=O F17473 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.5 C=CC[Si](C)(C)C 76453 [0,2,0,0,0,0|1,1,0]=4 691 B6R0.5 C=CC[Si](C)(C)Cl D88404 [0,2,0,0,0,0|1,1,0]=4 692 B6R0.5 C=COC(C)(C)C 28752 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.5 C=CO[Si](C)(C)C H11371 [0,2,0,0,0,0|1,1,0]=4 694 B6R0.5 CC(C)(C)CC=O 60546 [0,2,0,0,0,0|0,0,0]=2 695 B6R0.5 CC(C)(C)CCBr 29514 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.5 CC(C)(C)CCCl D95900 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.5 CC(C)(C)CCO 61808 [0,2,0,0,0,0|0,0,2]=4 698 B6R0.5 CC(C)(C)N=C=S D95911 [0,2,0,0,0,0|0,1,1]=4 699 B6R0.5 CC(C)(C)NC=O D88776 [0,2,0,0,0,0|0,0,0]=2 700 B6R0.5 CC(C)(N)CCO F13529 [0,2,0,0,0,0|0,0,2]=4 701 B6R0.5 CC(C)(O)CC#N D88032 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.5 CC(C)(O)CCBr RB3141 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.5 CC(C)(S)CCO D91597 [0,2,0,0,0,0|0,0,2]=4 704 B6R0.5 CCCC(C)(C)Cl H10235 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.5 CNCC(C)(C)C D94980 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.5 CNCC(C)(C)C F20240 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.5 CNCC(C)(C)O W12311 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.5 COCC(C)(C)N 28354 [0,2,0,0,0,0|0,0,2]=4 709 B6R0.5 COCC(C)(C)N 32588 [0,2,0,0,0,0|0,0,2]=4 710 B6R0.5 COCC(C)(C)O 67570 [0,2,0,0,0,0|0,0,2]=4 711 B6R0.5 C[Si](C)(C)N=C=O D92451 [0,2,0,0,0,0|0,1,1]=4 712 B6R0.8 C#C[C@@](C)(N)CC 52216 [0,2,0,0,0,0|1,0,1]=4 713 B6R0.8 C=C[Si](C)(C)C=C D90343 [0,2,0,0,0,0|1,1,0]=4 714 B6R0.8 CC(C)(C#N)C#N F16284 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.8 CC(C)(C#N)CO O11012 [0,2,0,0,0,0|0,0,2]=4 716 B6R0.8 CC(C)(C=O)CO 39324 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.8 CC(C)(CBr)CBr S10693 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.8 CC(C)(CN)CN D89885 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.8 CC(C)(CN)CO 35391 [0,2,0,0,0,0|0,0,2]=4 720 B6R0.8 CC(C)(CO)CBr D97756 [0,2,0,0,0,0|0,0,2]=4 721 B6R0.8 CC(C)(CO)CCl D84357 [0,2,0,0,0,0|0,0,2]=4 722 B6R0.8 CC(C)(CO)CO D71071 [0,2,0,0,0,0|0,0,2]=4 723 B6R0.8 CC[C@](C)(O)C#N 22165 [0,2,0,0,0,0|1,0,1]=4 724 B6R0.8 CNC(C)(C)CO F19204 [0,2,0,0,0,0|0,0,2]=4 725 B6R0.8 COC(C)(C)CO I10175 [0,2,0,0,0,0|0,0,2]=4 726 B6R0.8 O=CC(Br)(Br)CBr D78270 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.9 C=CC(OC)OC A10988 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.9 CCC(CC)CBr D88873 [0,2,0,0,0,0|1,0,1]=4 729 B6R0.9 CCC(CC)CO D78539 [0,2,0,0,0,0|0,0,2]=4 730 B6R0.9 CCC(CC)NC 30677 [0,2,0,0,0,0|1,0,1]=4 731 B6R0.9 CCC(CC)NN AB9880 [0,2,0,0,0,0|2,0,0]=4 732 B6R0.9 CCC(CO)CO AB3752 [0,2,0,0,0,0|0,0,2]=4 733 B6R0.9 CCN(C=O)CC A10832 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.9 CCN(CC)N=O F14922 [0,2,0,0,0,0|2,0,0]=4 735 B6R0.9 COC(C=O)OC D70286 [0,2,0,0,0,0|0,0,0]=2 736 B6R0.9 COC(CBr)OC P16529 [0,2,0,0,0,0|1,0,1]=4 737 B6R0.9 COC(CN)OC D72504 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.9 COC(CO)OC 36713 [0,2,0,0,0,0|0,0,2]=4 739 B6R0.9 OCC(CO)CO 59936 [0,2,0,0,0,0|0,0,2]=4 740 B6R0.7 CC(=O)C(C)(C)Br F20882 [0,2,0,0,0,0|0,0,0]=2 741 B6R0.7 CC(=O)C(C)(C)O D88126 [0,2,0,0,0,0|0,0,0]=2 742 B6R0.7 CC(=O)C(Cl)(Cl)Cl D92479 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.7 CC(=O)C(F)(F)F F10887 [0,2,0,0,0,0|2,0,0]=4 744 B6R0.7 CC(C)(Br)C(=O)Br H11248 [0,2,0,0,0,0|0,0,0]=2 745 B6R0.7 CC(C)(Br)C(N)=O 29749 [0,2,0,0,0,0|0,0,0]=2 746 B6R0.7 CC(C)(C)C(=N)N 87492 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.7 CC(C)(C)C(=O)O D78007 [0,2,0,0,0,0|0,0,0]=2 748 B6R0.7 CC(C)(C)C(=O)[O-] D70697 [0,2,0,0,0,0|0,0,0]=2 749 B6R0.7 CC(C)(C)C(=O)[O-] D97172 [0,2,0,0,0,0|0,0,0]=2 750 B6R0.7 CC(C)(C)C(=O)[O-] F16483 [0,2,0,0,0,0|0,0,0]=2 751 B6R0.7 CC(C)(C)C(=O)[O-] H10729 [0,2,0,0,0,0|0,0,0]=2 752 B6R0.7 CC(C)(C)C(=O)[O-] T70538 [0,2,0,0,0,0|0,0,0]=2 753 B6R0.7 CC(C)(C)C(N)=O AC2528 [0,2,0,0,0,0|0,0,0]=2 754 B6R0.7 CC(C)(C)C(N)=S 28048 [0,2,0,0,0,0|0,1,0]=3 755 B6R0.7 CC(C)(C)P(Cl)Cl D94628 [0,2,0,0,0,0|2,0,0]=4 756 B6R0.7 CC(C)(C)[N+](=O)[O-] D91469 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.7 CC(C)(C)[S@@](N)=O 97428 [0,2,0,0,0,0|1,0,0]=3 758 B6R0.7 CC(C)(C)[S@@](N)=O 97525 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.7 CC(C)(C)[S@@](N)=O 97529 [0,2,0,0,0,0|1,0,0]=3 760 B6R0.7 CC(C)(F)C(=O)O 83418 [0,2,0,0,0,0|0,0,0]=2 761 B6R0.7 CC(C)(N)C(=O)O AC8052 [0,2,0,0,0,0|0,0,0]=2 762 B6R0.7 CC(C)(N)C(N)=O 32273 [0,2,0,0,0,0|0,0,0]=2 763 B6R0.7 CC(C)(O)C(=N)N W10936 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.7 CC(C)(O)C(=O)O S12287 [0,2,0,0,0,0|0,0,0]=2 765 B6R0.7 CC(C)(O)C(N)=O AC8009 [0,2,0,0,0,0|0,0,0]=2 766 B6R0.7 CC(C)C(C)(C)N 78493 [0,2,0,0,0,0|1,0,1]=4 767 B6R0.7 CC(C)S(=O)(=O)Cl CK2509 [0,2,0,0,0,0|1,0,0]=3 768 B6R0.7 CC(C)S(C)(=O)=O D91166 [0,2,0,0,0,0|1,0,0]=3 769 B6R0.7 CC(C)S(N)(=O)=O 36373 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.7 CC(C)[B-](F)(F)F W16913 [0,2,0,0,0,0|2,0,0]=4 771 B6R0.7 CC(C)[Si](C)(C)Cl I11233 [0,2,0,0,0,0|1,1,0]=4 772 B6R0.7 CC(Cl)(Cl)C(=O)Cl D80928 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.7 CC(F)(F)C(=O)O FD2064 [0,2,0,0,0,0|1,0,0]=3 774 B6R0.7 CN(C)C(C)(C)Cl E72646 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.7 CN(C)P(=O)(Cl)Cl D92046 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.7 CN(C)S(N)(=O)=O 35827 [0,2,0,0,0,0|2,0,0]=4 777 B6R0.7 C[SiH](C)C(C)(C)C I11423 [0,2,0,0,0,0|1,1,0]=4 778 B6R0.7 NC(=O)C(Cl)(Cl)Cl 74228 [0,2,0,0,0,0|2,0,0]=4 779 B6R0.7 NC(=O)C(F)(F)F D71062 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.7 O=C(O)C(F)(F)Br AT18902 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.7 O=C(O)C(F)(F)Cl S12286 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.7 O=C(O)C(F)(F)F D94728 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.7 O=C(O)C(F)(F)F D95202 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.7 O=C(O)C(F)(F)F F19827 [0,2,0,0,0,0|2,0,0]=4 785 B6R0.7 O=C([O-])C(F)(F)Br AC8708 [0,2,0,0,0,0|2,0,0]=4 786 B6R0.7 O=C([O-])C(F)(F)Br F17436 [0,2,0,0,0,0|2,0,0]=4 787 B6R0.7 O=C([O-])C(F)(F)Cl AC7827 [0,2,0,0,0,0|2,0,0]=4 788 B6R0.7 O=C([O-])C(F)(F)F C15784 [0,2,0,0,0,0|2,0,0]=4 789 B6R0.7 O=C([O-])C(F)(F)F D76993 [0,2,0,0,0,0|2,0,0]=4 790 B6R0.7 O=C([O-])C(F)(F)F D77994 [0,2,0,0,0,0|2,0,0]=4 791 B6R0.7 O=C([O-])C(F)(F)F D92188 [0,2,0,0,0,0|2,0,0]=4 792 B6R0.7 O=C([O-])C(F)(F)F D92842 [0,2,0,0,0,0|2,0,0]=4 793 B6R0.7 O=C([O-])C(F)(F)F D95893 [0,2,0,0,0,0|2,0,0]=4 794 B4R1.1 C1CNC1 29084 [1,0,0,1,0,0|1,0,1]=4 795 B4R1.2 BrC1CC1 55622 [1,0,0,1,0,0|1,0,1]=4 796 B4R1.2 C[C@H]1CS1 D91944 [1,0,0,1,0,0|0,1,1]=4 797 B4R1.2 NC1CC1 P19977 [1,0,0,1,0,0|1,0,1]=4 798 B4R1.2 OC1CC1 87295 [1,0,0,1,0,0|0,0,2]=4 799 B6R1.2 CC1=CCC=C1 F13190 [0,1,0,1,0,0|1,0,1]=4 800 B6R1.2 C[C@H]1CCCN1 11755 [0,1,0,1,0,0|1,0,1]=4 801 B6R1.2 C[C@H]1CCCN1 23331 [0,1,0,1,0,0|1,0,1]=4 802 B6R1.2 C[C@H]1CCCN1 64834 [0,1,0,1,0,0|1,0,1]=4 803 B6R1.2 C[C@H]1CCCN1 64835 [0,1,0,1,0,0|1,0,1]=4 804 B6R1.2 C[C@H]1CCCN1 64836 [0,1,0,1,0,0|1,0,1]=4 805 B6R1.2 C[C@H]1CCCS1 TD8134 [0,1,0,1,0,0|1,0,1]=4 806 B6R1.2 C[C@H]1CCNC1 69325 [0,1,0,1,0,0|1,0,1]=4 807 B6R1.2 C[C@H]1CCNC1 69329 [0,1,0,1,0,0|1,0,1]=4 808 B6R1.2 C[C@H]1CCOC1 F16704 [0,1,0,1,0,0|0,0,2]=4 809 B6R1.2 NC1CC=CC1 66023 [0,1,0,1,0,0|2,0,0]=4 810 B6R1.2 OC1CC=CC1 68362 [0,1,0,1,0,0|2,0,0]=4 811 B6R1.3 CCNC1CC1 AC2514 [0,1,0,1,0,0|1,0,1]=4 812 B6R1.3 CCNC1CC1 F20037 [0,1,0,1,0,0|1,0,1]=4 813 B6R1.3 CNCC1CC1 71893 [0,1,0,1,0,0|1,0,1]=4 814 B6R1.3 N#CCC1CC1 35740 [0,1,0,1,0,0|1,0,1]=4 815 B6R1.3 NCCC1CC1 38310 [0,1,0,1,0,0|1,0,1]=4 816 B6R1.3 NCCC1CC1 AB6939 [0,1,0,1,0,0|1,0,1]=4 817 B6R1.3 NNCC1CC1 BL010401 [0,1,0,1,0,0|1,0,1]=4 818 B6R1.3 O=CNC1CC1 W10329 [0,1,0,1,0,0|0,0,0]=2 819 B6R1.3 OCCC1CC1 35626 [0,1,0,1,0,0|0,0,2]=4 820 B6R1.5 NC1CC(=O)C1 33403 [0,1,0,1,0,0|1,0,0]=3 821 B6R1.5 O=C1CC(Br)C1 38627 [0,1,0,1,0,0|1,0,0]=3 822 B6R1.10 CC1(C)CNC1 61820 [0,1,0,1,0,0|1,0,1]=4 823 B6R1.10 CC1(N)CNC1 37384 [0,1,0,1,0,0|1,0,1]=4 824 B6R1.10 CC1(N)COC1 36209 [0,1,0,1,0,0|0,0,2]=4 825 B6R1.10 CC1(O)CNC1 54090 [0,1,0,1,0,0|1,0,1]=4 826 B6R1.10 CC1(O)COC1 69106 [0,1,0,1,0,0|0,0,2]=4 827 B6R1.11 CC(=O)C1CC1 79965 [0,1,0,1,0,0|0,0,0]=2 828 B6R1.11 C[C@H](N)C1CC1 30876 [0,1,0,1,0,0|1,0,1]=4 829 B6R1.11 C[C@H](N)C1CC1 71703 [0,1,0,1,0,0|1,0,1]=4 830 B6R1.11 C[C@H](N)C1CC1 72740 [0,1,0,1,0,0|1,0,1]=4 831 B6R1.11 C[C@H](N)C1CC1 F11381 [0,1,0,1,0,0|1,0,1]=4 832 B6R1.11 C[C@H](O)C1CC1 W10546 [0,1,0,1,0,0|0,0,2]=4 833 B6R1.11 N=C(N)C1CC1 59460 [0,1,0,1,0,0|1,0,0]=3 834 B6R1.11 N=C(N)C1CC1 W10323 [0,1,0,1,0,0|1,0,0]=3 835 B6R1.11 NC(=O)C1CC1 R10019 [0,1,0,1,0,0|0,0,0]=2 836 B6R1.11 NC(=S)C1CC1 82485 [0,1,0,1,0,0|0,1,0]=3 837 B6R1.11 O=C(Cl)C1CC1 D78023 [0,1,0,1,0,0|0,0,0]=2 838 B6R1.11 O=C(O)C1CC1 44496 [0,1,0,1,0,0|0,0,0]=2 839 B6R1.11 O=C([O-])[C@@H]1CO1 RB3380 [0,1,0,1,0,0|1,0,0]=3 840 B6R1.11 OB(O)C1CC1 68356 [0,1,0,1,0,0|1,0,1]=4 841 B6R1.6 BrCC1CCC1 55311 [0,1,0,1,0,0|1,0,1]=4 842 B6R1.6 BrCC1COC1 P12750 [0,1,0,1,0,0|0,0,2]=4 843 B6R1.6 CNC1CNC1 37853 [0,1,0,1,0,0|1,0,1]=4 844 B6R1.6 CNC1COC1 32882 [0,1,0,1,0,0|0,0,2]=4 845 B6R1.6 COC1CNC1 34638 [0,1,0,1,0,0|1,0,1]=4 846 B6R1.6 COC1CNC1 63504 [0,1,0,1,0,0|1,0,1]=4 847 B6R1.6 ClCC1COC1 29833 [0,1,0,1,0,0|0,0,2]=4 848 B6R1.6 ICC1CCC1 P15852 [0,1,0,1,0,0|1,0,1]=4 849 B6R1.6 ICC1COC1 80847 [0,1,0,1,0,0|0,0,2]=4 850 B6R1.6 IC[C@H]1CCO1 30641 [0,1,0,1,0,0|1,0,1]=4 851 B6R1.6 N#CC1CCC1 82484 [0,1,0,1,0,0|1,0,1]=4 852 B6R1.6 N#CC1CNC1 52028 [0,1,0,1,0,0|1,0,1]=4 853 B6R1.6 NCC1CCC1 33345 [0,1,0,1,0,0|1,0,1]=4 854 B6R1.6 NCC1CCC1 35685 [0,1,0,1,0,0|1,0,1]=4 855 B6R1.6 NCC1COC1 66389 [0,1,0,1,0,0|0,0,2]=4 856 B6R1.6 NCC1COC1 F14274 [0,1,0,1,0,0|0,0,2]=4 857 B6R1.6 NC[C@H]1CCO1 32892 [0,1,0,1,0,0|1,0,1]=4 858 B6R1.6 O=CC1CCC1 83143 [0,1,0,1,0,0|0,0,0]=2 859 B6R1.6 OCC1CCC1 24520 [0,1,0,1,0,0|0,0,2]=4 860 B6R1.6 OCC1CNC1 SC3671 [0,1,0,1,0,0|0,0,2]=4 861 B6R1.6 OCC1COC1 81312 [0,1,0,1,0,0|0,0,2]=4 862 B6R1.7 C=C[C@]1(C)CO1 11393 [0,1,0,1,0,0|1,0,0]=3 863 B6R1.7 CC1(CO)CC1 71010 [0,1,0,1,0,0|0,0,2]=4 864 B6R1.7 CCC1(N)CC1 P15302 [0,1,0,1,0,0|1,0,1]=4 865 B6R1.7 CCC1(O)CC1 P20221 [0,1,0,1,0,0|1,0,1]=4 866 B6R1.7 C[C@]1(CCl)CO1 29677 [0,1,0,1,0,0|0,0,2]=4 867 B6R1.7 N#CC1(N)CC1 51141 [0,1,0,1,0,0|1,0,1]=4 868 B6R1.7 NC1(CO)CC1 80110 [0,1,0,1,0,0|0,0,2]=4 869 B6R1.7 NCC1(O)CC1 27319 [0,1,0,1,0,0|1,0,1]=4