0 B4R0.1 C#CC(=O)O F10329 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(C)=O F52495 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C#CC(C)C 22832 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#CC(N)=O BL007595 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#C[C@H](C)N P17981 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C#C[C@H](C)O 55689 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C#C[C@H](C)O F17654 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 C=C(Br)CBr F15445 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 C=C(Br)CO D84296 [0,0,0,0,0,0|1,0,3]=4 9 B4R0.1 C=C(C)C=O H10713 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 C=C(C)CBr 29319 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=C(C)CN 29496 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C=C(C)CO H10780 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C=C(Cl)CCl D97733 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 C=CC(=O)[O-] D88317 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 C=CC(=O)[O-] H10710 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C=C[C@H](C)O W13854 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C=NN(C)C T72047 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 CC(=N)NO 74820 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 CC(=O)CBr 76485 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 CC(=O)CN 24448 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 CC(=O)NBr 70825 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC(=O)NN AB6005 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CC(=O)NO 78370 [0,0,0,0,0,0|1,0,1]=2 24 B4R0.1 CC(C)=CBr 29237 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(C)=NO D70154 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CC(C)CN D70621 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 CC(C)NN 35766 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CC(C)NN C10400 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CC(C)NO 77595 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 CC(C)ON 77602 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CCC(=N)N 65202 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CCC(N)=O O12053 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.1 CCC(N)=S AT14776 [0,0,0,0,0,0|2,1,1]=4 34 B4R0.1 CC[C@H](C)O 70716 [0,0,0,0,0,0|1,0,3]=4 35 B4R0.1 CC[C@H](C)O 70832 [0,0,0,0,0,0|1,0,3]=4 36 B4R0.1 CC[S@](=O)[O-] F16489 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 CN(C)C=S 70822 [0,0,0,0,0,0|2,1,0]=3 38 B4R0.1 CN(C)N=O AT21751 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.1 CN=C(N)N D91522 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 CNC(=N)N P16886 [0,0,0,0,0,0|4,0,0]=4 41 B4R0.1 CNC(=O)Cl D81983 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 CNC(C)C 39417 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 CNC(N)=O AC8061 [0,0,0,0,0,0|3,0,0]=3 44 B4R0.1 CNN(C)C 66800 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.1 COC(=N)N F11253 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 COC(=N)N F14927 [0,0,0,0,0,0|4,0,0]=4 47 B4R0.1 COC(=N)N I11503 [0,0,0,0,0,0|4,0,0]=4 48 B4R0.1 COC(N)=O D86342 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 CSC(=N)N 20543 [0,0,0,0,0,0|4,0,0]=4 50 B4R0.1 CSC(=N)N E70432 [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 CSC(C)=O D82067 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 C[C@H](Br)C#N S12043 [0,0,0,0,0,0|2,0,2]=4 53 B4R0.1 C[C@H](Cl)CO H11590 [0,0,0,0,0,0|1,0,3]=4 54 B4R0.1 C[C@H](Cl)CO O10168 [0,0,0,0,0,0|1,0,3]=4 55 B4R0.1 C[C@H](N)CN 35106 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 C[C@H](N)CN P20461 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.1 C[C@H](N)CO 28476 [0,0,0,0,0,0|1,0,3]=4 58 B4R0.1 C[C@H](N)CO 29970 [0,0,0,0,0,0|1,0,3]=4 59 B4R0.1 C[C@H](N)CO 29971 [0,0,0,0,0,0|1,0,3]=4 60 B4R0.1 C[C@H](O)CCl C10666 [0,0,0,0,0,0|1,0,3]=4 61 B4R0.1 C[C@H](O)CCl D87799 [0,0,0,0,0,0|1,0,3]=4 62 B4R0.1 C[C@H](O)CCl H11611 [0,0,0,0,0,0|1,0,3]=4 63 B4R0.1 C[C@H](O)CN 86259 [0,0,0,0,0,0|1,0,3]=4 64 B4R0.1 C[C@H](O)CN 86301 [0,0,0,0,0,0|1,0,3]=4 65 B4R0.1 C[C@H](O)CN A10592 [0,0,0,0,0,0|1,0,3]=4 66 B4R0.1 C[C@H](O)CO A11633 [0,0,0,0,0,0|0,0,4]=4 67 B4R0.1 C[C@H](O)CO A11634 [0,0,0,0,0,0|0,0,4]=4 68 B4R0.1 C[N+](C)=CCl D89427 [0,0,0,0,0,0|3,0,0]=3 69 B4R0.1 C\C(N)=N\O 35620 [0,0,0,0,0,0|2,0,1]=3 70 B4R0.1 N=C(N)CCl F11896 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 N=C(N)CN 20106 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 N=C(N)CO C10100 [0,0,0,0,0,0|2,0,2]=4 73 B4R0.1 N=C(N)NN A11354 [0,0,0,0,0,0|4,0,0]=4 74 B4R0.1 N=C(N)NN AC8587 [0,0,0,0,0,0|4,0,0]=4 75 B4R0.1 NC(=O)CBr 35276 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 NC(=O)CI 25452 [0,0,0,0,0,0|2,0,1]=3 77 B4R0.1 NC(=O)CO D77798 [0,0,0,0,0,0|1,0,2]=3 78 B4R0.1 NC(=O)NO A10546 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.1 NCC(=O)O D70890 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 NCC(=O)O F21278 [0,0,0,0,0,0|2,0,1]=3 81 B4R0.1 NCC(=O)[O-] D70403 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.1 NCC(=O)[O-] D77927 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 NCC(=O)[O-] D84274 [0,0,0,0,0,0|2,0,1]=3 84 B4R0.1 NCC(=O)[O-] D95398 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 NCC(N)=O 20652 [0,0,0,0,0,0|2,0,1]=3 86 B4R0.1 NCC(N)=O 58529 [0,0,0,0,0,0|2,0,1]=3 87 B4R0.1 NNC(N)=O D95915 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.1 NNC(N)=S A10741 [0,0,0,0,0,0|3,1,0]=4 89 B4R0.1 O=C(Cl)CBr D87897 [0,0,0,0,0,0|2,0,1]=3 90 B4R0.1 O=C(Cl)SCl D89346 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 O=C(O)CO D78078 [0,0,0,0,0,0|1,0,2]=3 92 B4R0.1 O=CC(=O)O D70821 [0,0,0,0,0,0|1,0,0]=1 93 B4R0.1 O=CC(=O)O F14188 [0,0,0,0,0,0|1,0,0]=1 94 B4R0.1 O=[N+]([O-])CBr 76484 [0,0,0,0,0,0|3,0,1]=4 95 B4R0.1 ON=C(Br)Br 80656 [0,0,0,0,0,0|3,0,1]=4 96 B3R0.1 Br\C=C/Br D89611 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.1 C=CCC F17161 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.1 C=CCI D78530 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.1 C=CC[Pd+] F10003 [1,0,0,0,0,0|1,0,2]=4 100 B3R0.1 CCCN D74104 [1,0,0,0,0,0|1,0,2]=4 101 B3R0.1 CCCN D80322 [1,0,0,0,0,0|1,0,2]=4 102 B3R0.1 CCNC 28743 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.1 CCNC D78313 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.1 CCNN D93746 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.1 CCNO 77594 [1,0,0,0,0,0|1,0,2]=4 106 B3R0.1 CCON 35725 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.1 CCSC D90442 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.1 CNNC F14608 [1,0,0,0,0,0|3,0,0]=4 109 B3R0.1 CNOC 60204 [1,0,0,0,0,0|3,0,0]=4 110 B3R0.1 COCBr D78328 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.1 CSCCl F20413 [1,0,0,0,0,0|2,0,1]=4 112 B3R0.1 C\C=N\O F13401 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.1 Cl\C=C\Cl H11307 [1,0,0,0,0,0|2,0,0]=3 114 B3R0.1 NNC=O F11944 [1,0,0,0,0,0|2,0,0]=3 115 B3R0.2 C=C(C)Br 28419 [1,0,0,0,0,0|1,0,0]=2 116 B3R0.2 C=[N+](C)C D89898 [1,0,0,0,0,0|2,0,0]=3 117 B3R0.2 CB(O)O 26076 [1,0,0,0,0,0|1,0,2]=4 118 B3R0.2 CC(=O)O 29388 [1,0,0,0,0,0|0,0,1]=2 119 B3R0.2 CC(=O)O C90337 [1,0,0,0,0,0|0,0,1]=2 120 B3R0.2 CC(=O)S D92569 [1,0,0,0,0,0|0,1,0]=2 121 B3R0.2 CC(=O)[O-] 35848 [1,0,0,0,0,0|0,0,1]=2 122 B3R0.2 CC(=O)[O-] AC2542 [1,0,0,0,0,0|0,0,1]=2 123 B3R0.2 CC(=O)[O-] AC2625 [1,0,0,0,0,0|0,0,1]=2 124 B3R0.2 CC(=O)[O-] D70070 [1,0,0,0,0,0|0,0,1]=2 125 B3R0.2 CC(=O)[O-] D74466 [1,0,0,0,0,0|0,0,1]=2 126 B3R0.2 CC(=O)[O-] D74596 [1,0,0,0,0,0|0,0,1]=2 127 B3R0.2 CC(=O)[O-] D77673 [1,0,0,0,0,0|0,0,1]=2 128 B3R0.2 CC(=O)[O-] D77909 [1,0,0,0,0,0|0,0,1]=2 129 B3R0.2 CC(=O)[O-] D78215 [1,0,0,0,0,0|0,0,1]=2 130 B3R0.2 CC(=O)[O-] D78216 [1,0,0,0,0,0|0,0,1]=2 131 B3R0.2 CC(=O)[O-] D81958 [1,0,0,0,0,0|0,0,1]=2 132 B3R0.2 CC(=O)[O-] D84280 [1,0,0,0,0,0|0,0,1]=2 133 B3R0.2 CC(=O)[O-] D88447 [1,0,0,0,0,0|0,0,1]=2 134 B3R0.2 CC(=O)[O-] D91230 [1,0,0,0,0,0|0,0,1]=2 135 B3R0.2 CC(=O)[O-] D95368 [1,0,0,0,0,0|0,0,1]=2 136 B3R0.2 CC(=O)[O-] D95676 [1,0,0,0,0,0|0,0,1]=2 137 B3R0.2 CC(=O)[O-] D95836 [1,0,0,0,0,0|0,0,1]=2 138 B3R0.2 CC(=O)[O-] D95949 [1,0,0,0,0,0|0,0,1]=2 139 B3R0.2 CC(=O)[O-] D95967 [1,0,0,0,0,0|0,0,1]=2 140 B3R0.2 CC(=O)[O-] D95970 [1,0,0,0,0,0|0,0,1]=2 141 B3R0.2 CC(=O)[O-] D97851 [1,0,0,0,0,0|0,0,1]=2 142 B3R0.2 CC(=O)[O-] E70002 [1,0,0,0,0,0|0,0,1]=2 143 B3R0.2 CC(=O)[O-] H10718 [1,0,0,0,0,0|0,0,1]=2 144 B3R0.2 CC(C)Br D87619 [1,0,0,0,0,0|1,0,2]=4 145 B3R0.2 CC(C)N A10746 [1,0,0,0,0,0|1,0,2]=4 146 B3R0.2 CC(C)[O-] T72011 [1,0,0,0,0,0|0,0,3]=4 147 B3R0.2 CC(N)=S D70870 [1,0,0,0,0,0|1,1,0]=3 148 B3R0.2 CN(C)C F19571 [1,0,0,0,0,0|2,0,1]=4 149 B3R0.2 CN(C)N H10568 [1,0,0,0,0,0|2,0,1]=4 150 B3R0.2 CP(C)C D81836 [1,0,0,0,0,0|2,0,1]=4 151 B3R0.2 CP(C)C F20488 [1,0,0,0,0,0|2,0,1]=4 152 B3R0.2 C[PH](C)=O 20677 [1,0,0,0,0,0|1,0,1]=3 153 B3R0.2 C[S+](C)Br D89000 [1,0,0,0,0,0|2,0,1]=4 154 B3R0.2 C[S+](C)C 11523 [1,0,0,0,0,0|2,0,1]=4 155 B3R0.2 C[S@](=O)[O-] 35930 [1,0,0,0,0,0|1,0,1]=3 156 B3R0.2 N=C(N)Cl 43148 [1,0,0,0,0,0|3,0,0]=4 157 B3R0.2 N=C(N)N AT23545 [1,0,0,0,0,0|3,0,0]=4 158 B3R0.2 NC(=S)S 74779 [1,0,0,0,0,0|1,2,0]=4 159 B3R0.2 NC(N)=O D70446 [1,0,0,0,0,0|2,0,0]=3 160 B3R0.2 O=C(O)O D78214 [1,0,0,0,0,0|1,0,1]=3 161 B3R0.2 O=C([O-])[O-] 29292 [1,0,0,0,0,0|1,0,1]=3 162 B3R0.2 O=C([O-])[O-] AC2635 [1,0,0,0,0,0|1,0,1]=3 163 B3R0.2 O=C([O-])[O-] D95733 [1,0,0,0,0,0|1,0,1]=3 164 B3R0.2 O=C([O-])[O-] H12045 [1,0,0,0,0,0|1,0,1]=3 165 B3R0.2 O=[N+]([O-])[O-] AC2340 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.2 O=[N+]([O-])[O-] D78339 [1,0,0,0,0,0|2,0,1]=4 167 B3R0.2 O=[N+]([O-])[O-] D95172 [1,0,0,0,0,0|2,0,1]=4 168 B3R0.2 O=[N+]([O-])[O-] D95621 [1,0,0,0,0,0|2,0,1]=4 169 B3R0.2 O=[N+]([O-])[O-] D95671 [1,0,0,0,0,0|2,0,1]=4 170 B3R0.2 O=[N+]([O-])[O-] D95736 [1,0,0,0,0,0|2,0,1]=4 171 B3R0.2 O=[N+]([O-])[O-] D95950 [1,0,0,0,0,0|2,0,1]=4 172 B3R0.2 O=[N+]([O-])[O-] D95955 [1,0,0,0,0,0|2,0,1]=4 173 B3R0.2 O=[N+]([O-])[O-] D95968 [1,0,0,0,0,0|2,0,1]=4 174 B3R0.2 O=[N+]([O-])[O-] S10441 [1,0,0,0,0,0|2,0,1]=4 175 B3R0.2 O=[V](=O)[O-] D78051 [1,0,0,0,0,0|2,0,0]=3 176 B5R0.1 C#CCC(=O)O F14007 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 C=C(C)CCBr 80247 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 C=C(C)OCC 78535 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.1 C=CCC(=O)O H10768 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.1 C=CCN(C)C D89797 [0,1,0,0,0,0|3,0,0]=4 181 B5R0.1 C=CC[C@H](C)O D92157 [0,1,0,0,0,0|1,0,2]=4 182 B5R0.1 C=CNC(C)=O D92786 [0,1,0,0,0,0|1,0,0]=2 183 B5R0.1 C=NCC(N)=O D97705 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.1 CC#CC(=O)O 66664 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.1 CC(=O)CC#N 88909 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.1 CC(=O)CCCl F20480 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.1 CC(=O)CCO 55787 [0,1,0,0,0,0|0,0,2]=3 188 B5R0.1 CC(=O)NCO FD10622 [0,1,0,0,0,0|0,0,2]=3 189 B5R0.1 CC(=O)OCBr A12670 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.1 CC(=O)OCCl D78132 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.1 CC(=O)\C=N\O D72887 [0,1,0,0,0,0|0,0,1]=2 192 B5R0.1 CC(C)=CC=O 23180 [0,1,0,0,0,0|1,0,0]=2 193 B5R0.1 CC(C)=CCBr 75658 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.1 CC(C)=CCO F20316 [0,1,0,0,0,0|1,0,1]=3 195 B5R0.1 CC=C[C@H](C)O D84201 [0,1,0,0,0,0|1,0,2]=4 196 B5R0.1 CCCC(=O)[O-] D84277 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.1 CCCC(N)=O D70204 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.1 CCNC(C)=O AC2513 [0,1,0,0,0,0|1,0,1]=3 199 B5R0.1 CCNC(N)=O D95291 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.1 CCOC(C)=N D70134 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.1 CCOC(N)=O F21294 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.1 CCSC(C)=O H11301 [0,1,0,0,0,0|1,0,1]=3 203 B5R0.1 CN(C)CC=O O10521 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.1 CNCC(=O)O 73735 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.1 CNCC(=O)O AC7804 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.1 CNCC(N)=O A11560 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.1 COCC(=O)Cl D78222 [0,1,0,0,0,0|1,0,2]=4 208 B5R0.1 COCC(=O)O D77874 [0,1,0,0,0,0|1,0,2]=4 209 B5R0.1 COCC(C)=O D91400 [0,1,0,0,0,0|0,0,2]=3 210 B5R0.1 COCC(N)=O F20983 [0,1,0,0,0,0|1,0,2]=4 211 B5R0.1 CSCC(=O)O F15988 [0,1,0,0,0,0|1,1,1]=4 212 B5R0.1 CSCC(N)=O 23231 [0,1,0,0,0,0|1,1,1]=4 213 B5R0.1 CSC[S@](C)=O 63104 [0,1,0,0,0,0|1,1,1]=4 214 B5R0.1 C[Si](C)\C=C\Cl D89369 [0,1,0,0,0,0|2,1,0]=4 215 B5R0.1 C\C(N)=C/C#N F19804 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.1 C\C=C\C(=O)Cl D78102 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.1 C\C=C\C(=O)Cl F20351 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.1 C\C=C\C(=O)O RB8002 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.1 C\C=C\C(C)=O F17125 [0,1,0,0,0,0|1,0,0]=2 220 B5R0.1 N#CCC(=O)O P20002 [0,1,0,0,0,0|2,0,1]=4 221 B5R0.1 N#CCC(=O)[O-] D83681 [0,1,0,0,0,0|2,0,1]=4 222 B5R0.1 N#CCC(N)=O W18657 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.1 NC(=O)CCBr C16124 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.1 NCCC(N)=O F13534 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.1 NOCC(=O)O H11929 [0,1,0,0,0,0|1,0,2]=4 226 B5R0.1 O=C(Cl)CCBr D88890 [0,1,0,0,0,0|2,0,1]=4 227 B5R0.1 O=C(Cl)OCCl H11933 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.1 O=C(O)CCBr P17146 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.1 O=C(O)CCF 71324 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.1 O=C(O)CCI D91073 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.1 O=C(O)CCO 77998 [0,1,0,0,0,0|1,0,2]=4 232 B5R0.1 O=C(O)CCS AT21041 [0,1,0,0,0,0|1,1,1]=4 233 B5R0.1 O=C(O)\C=C/Cl H10108 [0,1,0,0,0,0|2,0,0]=3 234 B5R0.3 C#CC(=O)OC P17723 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.3 C=C(CBr)CBr 21111 [0,1,0,0,0,0|2,0,1]=4 236 B5R0.3 C=C(CCl)CCl 23001 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.3 C=C(CO)CO 35347 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.3 C=CC(=O)NC AB9590 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.3 C=C[C@@H](Cl)CCl D89774 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.3 C=C[C@@H](O)CC F15421 [0,1,0,0,0,0|1,0,2]=4 241 B5R0.3 C=C[C@@H](O)CO D79949 [0,1,0,0,0,0|1,0,2]=4 242 B5R0.3 CCC(=N)NO 22901 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.3 CCC(=O)CBr F10475 [0,1,0,0,0,0|1,0,1]=3 244 B5R0.3 CCC(=O)CO C75383 [0,1,0,0,0,0|0,0,2]=3 245 B5R0.3 CCC(=O)NC D91338 [0,1,0,0,0,0|1,0,1]=3 246 B5R0.3 CCC(=O)NN 20641 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.3 CCS(=O)CC D81870 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.3 CNC(=O)CBr H10939 [0,1,0,0,0,0|1,0,1]=3 249 B5R0.3 CNC(=O)CCl 28994 [0,1,0,0,0,0|1,0,1]=3 250 B5R0.3 CNC(=O)CN AC1534 [0,1,0,0,0,0|1,0,1]=3 251 B5R0.3 CNC(=O)CN FD21644 [0,1,0,0,0,0|1,0,1]=3 252 B5R0.3 CNC(=O)NC P17517 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.3 CNC(=O)OC 29564 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.3 CNC(=S)NC D97815 [0,1,0,0,0,0|2,1,0]=4 255 B5R0.3 CNC(=S)NN D77757 [0,1,0,0,0,0|2,1,0]=4 256 B5R0.3 COC(=O)CN 20047 [0,1,0,0,0,0|1,0,1]=3 257 B5R0.3 COC(=O)CO 39413 [0,1,0,0,0,0|0,0,2]=3 258 B5R0.3 COC(=O)NN P17509 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.3 COC(=O)SCl D91417 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.3 CON(C)C=O F11046 [0,1,0,0,0,0|1,0,1]=3 261 B5R0.3 CSC(=N)NN S12387 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.3 CSC(=O)SC D89996 [0,1,0,0,0,0|2,0,0]=3 263 B5R0.3 CS\C(C)=N\O A11022 [0,1,0,0,0,0|1,1,1]=4 264 B5R0.3 NNC(=O)CCl F15553 [0,1,0,0,0,0|2,0,0]=3 265 B5R0.3 NNC(=O)CO 71926 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.3 O=C(CBr)CBr 60498 [0,1,0,0,0,0|1,0,1]=3 267 B5R0.3 O=C(CCl)CCl 73299 [0,1,0,0,0,0|1,0,1]=3 268 B5R0.3 O=C(CO)CO S12381 [0,1,0,0,0,0|0,0,2]=3 269 B5R0.3 O=CC(Br)C=O 23170 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.3 O=CC(Cl)C=O A11058 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.4 C=CC(C)(C)C D89799 [0,1,0,0,0,0|2,0,1]=4 272 B5R0.4 C=CP(=O)(O)O AC8342 [0,1,0,0,0,0|3,0,0]=4 273 B5R0.4 C=CS(C)(=O)=O D95725 [0,1,0,0,0,0|2,0,0]=3 274 B5R0.4 C=C[Si](C)(C)C 76807 [0,1,0,0,0,0|2,1,0]=4 275 B5R0.4 CC(C)(Br)C=O A12011 [0,1,0,0,0,0|1,0,1]=3 276 B5R0.4 CC(C)(C)N=O D95969 [0,1,0,0,0,0|2,0,1]=4 277 B5R0.4 CCS(C)(=O)=O A10776 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.4 CNS(C)(=O)=O AB2915 [0,1,0,0,0,0|3,0,0]=4 279 B5R0.4 COS(C)(=O)=O C10631 [0,1,0,0,0,0|3,0,0]=4 280 B5R0.4 CSS(C)(=O)=O H10854 [0,1,0,0,0,0|3,0,0]=4 281 B5R0.4 O=CC(Br)(Br)Br D92328 [0,1,0,0,0,0|2,0,1]=4 282 B5R0.4 O=CC(F)(F)F F14926 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.5 C=C(Br)C(=O)O AB10359 [0,1,0,0,0,0|1,0,1]=3 284 B5R0.5 C=C(C)C(=C)C F14891 [0,1,0,0,0,0|2,0,0]=3 285 B5R0.5 C=C(C)C(=O)[O-] F16474 [0,1,0,0,0,0|1,0,0]=2 286 B5R0.5 C=C(Cl)C(=O)O D93171 [0,1,0,0,0,0|1,0,1]=3 287 B5R0.5 C=C(F)C(=O)O 29128 [0,1,0,0,0,0|1,0,1]=3 288 B5R0.5 CC(=O)C(=O)[O-] D77796 [0,1,0,0,0,0|0,0,0]=1 289 B5R0.5 CC(=O)C(=O)[O-] D97786 [0,1,0,0,0,0|0,0,0]=1 290 B5R0.5 CC(=O)C(=O)[O-] H10783 [0,1,0,0,0,0|0,0,0]=1 291 B5R0.5 CC(=O)C(=O)[O-] H11289 [0,1,0,0,0,0|0,0,0]=1 292 B5R0.5 CC(=O)C(C)=O W18292 [0,1,0,0,0,0|0,0,0]=1 293 B5R0.5 CC(=O)C(F)F AC1257 [0,1,0,0,0,0|1,0,1]=3 294 B5R0.5 CC(=O)N(C)C D88939 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.5 CC(=O)[C@H](C)Br AT12822 [0,1,0,0,0,0|1,0,1]=3 296 B5R0.5 CC(=O)[C@H](C)S D91540 [0,1,0,0,0,0|0,1,1]=3 297 B5R0.5 CC(C)=C(C)Br F16090 [0,1,0,0,0,0|2,0,0]=3 298 B5R0.5 CC(C)C(=N)N 73979 [0,1,0,0,0,0|2,0,1]=4 299 B5R0.5 CC(C)C(=O)[O-] D91080 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.5 CC(C)C(N)=O 28439 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.5 CC(C)C(N)=S 80829 [0,1,0,0,0,0|1,1,1]=4 302 B5R0.5 CC(C)[N+](=O)[O-] D95323 [0,1,0,0,0,0|2,0,1]=4 303 B5R0.5 CC(O)C(=O)[O-] F16480 [0,1,0,0,0,0|0,0,2]=3 304 B5R0.5 CN(C)C(=N)N 71016 [0,1,0,0,0,0|3,0,0]=4 305 B5R0.5 CN(C)C(=S)Cl AT19615 [0,1,0,0,0,0|2,1,0]=4 306 B5R0.5 CN(C)C(=S)[S-] D89765 [0,1,0,0,0,0|2,1,0]=4 307 B5R0.5 CN(C)C(N)=O D89723 [0,1,0,0,0,0|2,0,0]=3 308 B5R0.5 CN(C)C(N)=S F19159 [0,1,0,0,0,0|2,1,0]=4 309 B5R0.5 CN(N)C(N)=S H11592 [0,1,0,0,0,0|2,1,0]=4 310 B5R0.5 C[C@H](Br)C(=O)Br 13146 [0,1,0,0,0,0|1,0,1]=3 311 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [0,1,0,0,0,0|1,0,1]=3 312 B5R0.5 C[C@H](Br)C(=O)O 70715 [0,1,0,0,0,0|1,0,1]=3 313 B5R0.5 C[C@H](Br)C(=O)O H10882 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.5 C[C@H](Br)C(N)=O D71122 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [0,1,0,0,0,0|1,0,1]=3 316 B5R0.5 C[C@H](Cl)C(=O)O 36674 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.5 C[C@H](Cl)C(=O)O F16436 [0,1,0,0,0,0|1,0,1]=3 318 B5R0.5 C[C@H](F)C(=O)O N12158 [0,1,0,0,0,0|1,0,1]=3 319 B5R0.5 C[C@H](N)C(=O)O 30773 [0,1,0,0,0,0|1,0,1]=3 320 B5R0.5 C[C@H](N)C(=O)O C75806 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.5 C[C@H](N)C(=O)O D72543 [0,1,0,0,0,0|1,0,1]=3 322 B5R0.5 C[C@H](N)C(=O)O D84362 [0,1,0,0,0,0|1,0,1]=3 323 B5R0.5 C[C@H](N)C(N)=O 23091 [0,1,0,0,0,0|1,0,1]=3 324 B5R0.5 C[C@H](N)C(N)=O 30751 [0,1,0,0,0,0|1,0,1]=3 325 B5R0.5 C[C@H](N)C(N)=O 30913 [0,1,0,0,0,0|1,0,1]=3 326 B5R0.5 C[C@H](N)C(N)=O 34538 [0,1,0,0,0,0|1,0,1]=3 327 B5R0.5 C[C@H](O)C(=O)O D71144 [0,1,0,0,0,0|0,0,2]=3 328 B5R0.5 C[C@H](O)C(=O)O F14892 [0,1,0,0,0,0|0,0,2]=3 329 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [0,1,0,0,0,0|0,0,2]=3 330 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [0,1,0,0,0,0|0,0,2]=3 331 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [0,1,0,0,0,0|0,0,2]=3 332 B5R0.5 C[C@H](O)C(N)=O AC1144 [0,1,0,0,0,0|0,0,2]=3 333 B5R0.5 C[N+](C)=C(Cl)Cl D89890 [0,1,0,0,0,0|3,0,0]=4 334 B5R0.5 NC(=O)C(=O)O A10798 [0,1,0,0,0,0|1,0,0]=2 335 B5R0.5 NC(=O)C(=O)[O-] 78317 [0,1,0,0,0,0|1,0,0]=2 336 B5R0.5 NC(=O)C(=O)[O-] D91824 [0,1,0,0,0,0|1,0,0]=2 337 B5R0.5 NC(=O)C(Cl)Cl D89626 [0,1,0,0,0,0|2,0,1]=4 338 B5R0.5 NC(=O)C(F)F D76959 [0,1,0,0,0,0|2,0,1]=4 339 B5R0.5 NC(=O)C(N)=O D70377 [0,1,0,0,0,0|1,0,0]=2 340 B5R0.5 O=C(O)C(=O)O 35743 [0,1,0,0,0,0|1,0,0]=2 341 B5R0.5 O=C(O)C(=O)O C11246 [0,1,0,0,0,0|1,0,0]=2 342 B5R0.5 O=C(O)C(F)F FD2068 [0,1,0,0,0,0|2,0,1]=4 343 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [0,1,0,0,0,0|2,0,1]=4 344 B5R0.5 O=C([O-])C(=O)[O-] 11920 [0,1,0,0,0,0|1,0,0]=2 345 B5R0.5 O=C([O-])C(=O)[O-] C13296 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.5 O=C([O-])C(Cl)Cl F12025 [0,1,0,0,0,0|2,0,1]=4 347 B5R1.2 C=C1CCC1 90960 [0,0,0,1,0,0|2,0,1]=4 348 B5R1.2 O=C1CCC1 24502 [0,0,0,1,0,0|1,0,1]=3 349 B5R1.2 O=C1CCN1 52806 [0,0,0,1,0,0|2,0,0]=3 350 B5R1.2 O=C1CCO1 AT19319 [0,0,0,1,0,0|2,0,0]=3 351 B5R1.2 O=C1CNC1 51063 [0,0,0,1,0,0|1,0,1]=3 352 B5R1.2 O=C1COC1 66386 [0,0,0,1,0,0|0,0,2]=3 353 B5R1.2 O=C1CSC1 BL008272 [0,0,0,1,0,0|0,1,1]=3 354 B5R1.3 C=C[C@@H]1CO1 D90487 [0,0,0,1,0,0|1,0,2]=4 355 B5R1.3 O=CC1CC1 82833 [0,0,0,1,0,0|1,0,1]=3 356 B2R0.1 C=NO 28803 [2,0,0,0,0,0|1,0,1]=4 357 B2R0.1 CC#N 34239 [2,0,0,0,0,0|1,0,1]=4 358 B2R0.1 CC=O D78540 [2,0,0,0,0,0|0,0,0]=2 359 B2R0.1 CC[O-] D78336 [2,0,0,0,0,0|0,0,2]=4 360 B2R0.1 CC[S-] H10136 [2,0,0,0,0,0|0,1,1]=4 361 B2R0.1 CNO 77593 [2,0,0,0,0,0|1,0,1]=4 362 B2R0.1 CON C93493 [2,0,0,0,0,0|2,0,0]=4 363 B2R0.1 C[SnH4+2]C D90313 [2,0,0,0,0,0|1,0,1]=4 364 B2R0.1 C[SnH4+2]C H11302 [2,0,0,0,0,0|1,0,1]=4 365 B2R0.1 N=CN 78939 [2,0,0,0,0,0|2,0,0]=4 366 B2R0.1 O=CO 43929 [2,0,0,0,0,0|0,0,1]=3 367 B2R0.1 O=CO D78097 [2,0,0,0,0,0|0,0,1]=3 368 B2R0.1 O=C[O-] D95946 [2,0,0,0,0,0|0,0,1]=3 369 B2R0.1 O=N[O-] D95565 [2,0,0,0,0,0|1,0,1]=4 370 B2R0.1 O=[13CH][O-] 41420 [2,0,0,0,0,0|0,0,1]=3 371 B2R0.1 O=[Ge]=O F20443 [2,0,0,0,0,0|0,1,0]=3 372 B2R0.1 O=[Si]=O C13405 [2,0,0,0,0,0|0,1,0]=3 373 B2R0.1 O=[Si]=O D78143 [2,0,0,0,0,0|0,1,0]=3 374 B2R0.1 O=[Te]=O D92683 [2,0,0,0,0,0|1,0,0]=3 375 B2R0.1 [2H]OC D95537 [2,0,0,0,0,0|2,0,0]=4 376 B4R0.2 C=CCCBr D78125 [1,1,0,0,0,0|1,0,1]=4 377 B4R0.2 C=CCCC FD10489 [1,1,0,0,0,0|1,0,1]=4 378 B4R0.2 C=CCCCl 43989 [1,1,0,0,0,0|1,0,1]=4 379 B4R0.2 C=CCCN 68196 [1,1,0,0,0,0|1,0,1]=4 380 B4R0.2 C=CCCO P16638 [1,1,0,0,0,0|1,0,1]=4 381 B4R0.2 C=CCNC F21270 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.2 C=CCOC D88491 [1,1,0,0,0,0|1,0,1]=4 383 B4R0.2 C=CCSC D88380 [1,1,0,0,0,0|1,0,1]=4 384 B4R0.2 C=COCC P19610 [1,1,0,0,0,0|1,0,1]=4 385 B4R0.2 CCNC=O F19558 [1,1,0,0,0,0|0,0,1]=3 386 B4R0.2 C\C=C/CC D91891 [1,1,0,0,0,0|1,0,0]=3 387 B4R0.2 C\C=C\OC 28751 [1,1,0,0,0,0|0,0,1]=3 388 B4R0.2 Cl\C=C\CCl A11332 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.2 O=C[N-]C=O 78203 [1,1,0,0,0,0|0,0,0]=2 390 B4R0.2 O=[Dy]O[Dy]=O D94470 [1,1,0,0,0,0|2,0,0]=4 391 B4R0.2 O=[Eu]O[Eu]=O D95631 [1,1,0,0,0,0|2,0,0]=4 392 B4R0.2 O=[Ga]O[Ga]=O D95695 [1,1,0,0,0,0|2,0,0]=4 393 B4R0.2 O=[Mn]O[Mn]=O D97303 [1,1,0,0,0,0|2,0,0]=4 394 B4R0.2 O=[Nd]O[Nd]=O F20379 [1,1,0,0,0,0|2,0,0]=4 395 B4R0.2 O=[Sc]O[Sc]=O D94779 [1,1,0,0,0,0|2,0,0]=4 396 B4R0.2 O=[Tb]O[Tb]=O D97472 [1,1,0,0,0,0|2,0,0]=4 397 B4R0.2 O=[Y]O[Y]=O D92799 [1,1,0,0,0,0|2,0,0]=4 398 B4R0.3 CP(=O)(O)O D95909 [1,1,0,0,0,0|1,0,1]=4 399 B4R0.3 CS(=O)(=O)O AT25153 [1,1,0,0,0,0|1,0,0]=3 400 B4R0.3 CS(=O)(=O)[O-] A11504 [1,1,0,0,0,0|1,0,0]=3 401 B4R0.3 CS(=O)(=O)[O-] D82065 [1,1,0,0,0,0|1,0,0]=3 402 B4R0.3 CS(=O)(=O)[O-] E70319 [1,1,0,0,0,0|1,0,0]=3 403 B4R0.3 CS(=O)(=O)[S-] W18874 [1,1,0,0,0,0|1,0,0]=3 404 B4R0.3 CS(C)(=N)=O F31251 [1,1,0,0,0,0|1,0,1]=4 405 B4R0.3 CS(C)(=O)=O D70240 [1,1,0,0,0,0|1,0,0]=3 406 B4R0.3 CS(N)(=O)=O AC7862 [1,1,0,0,0,0|1,0,0]=3 407 B4R0.3 C[S+](C)(C)=O A11312 [1,1,0,0,0,0|1,0,1]=4 408 B4R0.3 C[S+](C)(C)=O AC7850 [1,1,0,0,0,0|1,0,1]=4 409 B4R0.3 C[S+](C)(C)=O AC8170 [1,1,0,0,0,0|1,0,1]=4 410 B4R0.3 NS(=O)(=O)Cl 30747 [1,1,0,0,0,0|2,0,0]=4 411 B4R0.3 NS(=O)(=O)[O-] D95248 [1,1,0,0,0,0|2,0,0]=4 412 B4R0.3 NS(=O)(=O)[O-] H10675 [1,1,0,0,0,0|2,0,0]=4 413 B4R0.3 NS(N)(=O)=O S12311 [1,1,0,0,0,0|2,0,0]=4 414 B4R0.3 O=Cl(=O)(=O)[O-] D97853 [1,1,0,0,0,0|2,0,0]=4 415 B4R0.3 O=S(=O)(O)O D77746 [1,1,0,0,0,0|2,0,0]=4 416 B4R0.3 O=S(=O)(O)O H11038 [1,1,0,0,0,0|2,0,0]=4 417 B4R0.3 O=S(=O)([O-])O D90622 [1,1,0,0,0,0|2,0,0]=4 418 B4R0.3 O=S(=O)([O-])[O-] AC2339 [1,1,0,0,0,0|2,0,0]=4 419 B4R0.3 O=S(=O)([O-])[O-] AC2544 [1,1,0,0,0,0|2,0,0]=4 420 B4R0.3 O=S(=O)([O-])[O-] C13502 [1,1,0,0,0,0|2,0,0]=4 421 B4R0.3 O=S(=O)([O-])[O-] D95954 [1,1,0,0,0,0|2,0,0]=4 422 B4R0.3 O=S(=O)([O-])[O-] D97195 [1,1,0,0,0,0|2,0,0]=4 423 B4R0.3 O=S(=O)([O-])[O-] D97777 [1,1,0,0,0,0|2,0,0]=4 424 B4R0.3 O=[Mo](=O)(O)O D78107 [1,1,0,0,0,0|2,0,0]=4 425 B4R0.3 O=[Mo](=O)([O-])[O-] A11800 [1,1,0,0,0,0|2,0,0]=4 426 B4R0.3 O=[Os](=O)([O-])[O-] C13967 [1,1,0,0,0,0|2,0,0]=4 427 B4R0.3 O=[W](=O)([O-])[O-] H11589 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.1 C#CC(=O)OCC 35931 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.1 C#C\C(C)=C/CO D70132 [0,2,0,0,0,0|1,0,1]=4 430 B6R0.1 C=CC(=O)NCC AB9195 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.1 C=CCC(=O)OC F15018 [0,2,0,0,0,0|1,0,0]=3 432 B6R0.1 C=COC(=O)CCl D95397 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.1 CC#CC(=O)OC D73343 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.1 CCC(=O)CC#N 28991 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.1 CCCC(=O)CC D90801 [0,2,0,0,0,0|1,0,1]=4 436 B6R0.1 CCCC(=O)NN O11707 [0,2,0,0,0,0|2,0,0]=4 437 B6R0.1 CCCC(=O)SC D91533 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 CCOC(=O)CN C93496 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.1 CCOC(=O)CO 39380 [0,2,0,0,0,0|0,0,2]=4 440 B6R0.1 CCOC(=O)CS F21271 [0,2,0,0,0,0|0,1,1]=4 441 B6R0.1 CCOC(=O)NC D91332 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.1 CCOC(=O)NN D77690 [0,2,0,0,0,0|2,0,0]=4 443 B6R0.1 CCOC(=O)OC A11149 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.1 CN(C=O)CCO AC2477 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.1 CNC(=O)CC#N 23669 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.1 CNCC(=O)NC 71568 [0,2,0,0,0,0|1,0,1]=4 447 B6R0.1 CNCC(=O)OC 73733 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.1 COC(=O)C#CBr O11909 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.1 COC(=O)CC#N D77797 [0,2,0,0,0,0|1,0,1]=4 450 B6R0.1 COC(=O)CCBr AB7483 [0,2,0,0,0,0|1,0,1]=4 451 B6R0.1 COC(=O)CCCl D95821 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.1 COC(=O)CCN S12362 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 COC(=O)CCO 29940 [0,2,0,0,0,0|0,0,2]=4 454 B6R0.1 COC(=O)CCS D70327 [0,2,0,0,0,0|0,1,1]=4 455 B6R0.1 COC(=O)CSC D87959 [0,2,0,0,0,0|0,1,1]=4 456 B6R0.1 COC(=O)\C=C/I C75918 [0,2,0,0,0,0|1,0,0]=3 457 B6R0.1 COCC(=O)NN F14662 [0,2,0,0,0,0|2,0,0]=4 458 B6R0.1 CONC(=O)OC D81547 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.1 CS[C@@H](C)CC=O D91557 [0,2,0,0,0,0|0,1,1]=4 460 B6R0.1 C\C(=C/N=O)NO 74110 [0,2,0,0,0,0|0,0,1]=3 461 B6R0.1 C\C=C\C(=O)CC 74326 [0,2,0,0,0,0|1,0,0]=3 462 B6R0.1 N#CCC(=O)NN 20467 [0,2,0,0,0,0|2,0,0]=4 463 B6R0.1 O=C(CCl)NCO O10755 [0,2,0,0,0,0|0,0,2]=4 464 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [0,2,0,0,0,0|1,0,1]=4 465 B6R0.2 CC(=O)NC(=N)N S10069 [0,2,0,0,0,0|1,0,0]=3 466 B6R0.2 CC(=O)NC(C)=O D97387 [0,2,0,0,0,0|0,0,0]=2 467 B6R0.2 CC(=O)NC(C)C N12028 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.2 CC(=O)NC(N)=O D88216 [0,2,0,0,0,0|0,0,0]=2 469 B6R0.2 CC(=O)NC(N)=S D97730 [0,2,0,0,0,0|0,1,0]=3 470 B6R0.2 CC(=O)O[C@H](C)Br 39292 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.2 CC(=O)SC(C)=O T70772 [0,2,0,0,0,0|0,0,0]=2 472 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [0,2,0,0,0,0|0,0,0]=2 473 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [0,2,0,0,0,0|0,0,0]=2 474 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [0,2,0,0,0,0|0,0,0]=2 475 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [0,2,0,0,0,0|0,0,0]=2 476 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [0,2,0,0,0,0|0,0,0]=2 477 B6R0.2 CC(=O)\C=C(/C)[O-] E70001 [0,2,0,0,0,0|0,0,1]=3 478 B6R0.2 CC(=O)\C=C(\C)N A11050 [0,2,0,0,0,0|1,0,0]=3 479 B6R0.2 CC(=O)\C=C(\C)[O-] AC1284 [0,2,0,0,0,0|0,0,1]=3 480 B6R0.2 CC(=O)\C=C(\C)[O-] D70887 [0,2,0,0,0,0|0,0,1]=3 481 B6R0.2 CC(=O)\C=C(\C)[O-] D80380 [0,2,0,0,0,0|0,0,1]=3 482 B6R0.2 CC(=O)\C=C(\C)[O-] D91066 [0,2,0,0,0,0|0,0,1]=3 483 B6R0.2 CC(=O)\C=C(\C)[O-] D92375 [0,2,0,0,0,0|0,0,1]=3 484 B6R0.2 CC(=O)\C=C(\C)[O-] H10683 [0,2,0,0,0,0|0,0,1]=3 485 B6R0.2 CC(=O)\C=C(\C)[O-] H10696 [0,2,0,0,0,0|0,0,1]=3 486 B6R0.2 CC(=O)\C=C(\C)[O-] H11255 [0,2,0,0,0,0|0,0,1]=3 487 B6R0.2 CC(=O)\C=C(\C)[O-] H11309 [0,2,0,0,0,0|0,0,1]=3 488 B6R0.2 CC(=O)\C=C(\C)[O-] T70257 [0,2,0,0,0,0|0,0,1]=3 489 B6R0.2 CC(C)=CB(O)O F16057 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.2 CC(C)=CC(=O)O D78089 [0,2,0,0,0,0|1,0,0]=3 491 B6R0.2 CC(C)CC(=O)O D78213 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.2 CC(C)OC(N)=O D81825 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.2 CN(C)CC(=O)Cl A50815 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.2 CN(C)CC(=O)O 28781 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.2 CN(C)CC(=O)O 73674 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.2 C[C@H](Cl)OC(=O)Cl D78332 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.2 C[C@H](N)CC(=O)O 62356 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.2 C[C@H](N)CC(=O)O 62357 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.2 C[C@H](N)CC(=O)O 62358 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.2 C[C@H](N)CC(=O)O 62359 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.2 C[C@H](N)CC(=O)O 62363 [0,2,0,0,0,0|1,0,1]=4 504 B6R0.2 C[C@H](O)CC(=O)O D84191 [0,2,0,0,0,0|0,0,2]=4 505 B6R0.2 C[C@H](O)CC(=O)O O10175 [0,2,0,0,0,0|0,0,2]=4 506 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [0,2,0,0,0,0|0,0,2]=4 507 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [0,2,0,0,0,0|0,0,2]=4 508 B6R0.2 N=C(N)CC(N)=O 88236 [0,2,0,0,0,0|2,0,0]=4 509 B6R0.2 N=C(N)NC(N)=O D97837 [0,2,0,0,0,0|2,0,0]=4 510 B6R0.2 NC(=O)CC(N)=O D77721 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.2 NC(=O)C[N+](=O)[O-] A11114 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.2 NC(=O)NC(N)=O D78197 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.2 O=C(O)CC(=O)O AC8295 [0,2,0,0,0,0|1,0,0]=3 514 B6R0.3 C#CC(=O)N(C)C D93417 [0,2,0,0,0,0|1,0,1]=4 515 B6R0.3 C=C(Br)C(=O)OC 20801 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.3 C=C(Cl)C(=O)OC AB9663 [0,2,0,0,0,0|1,0,0]=3 517 B6R0.3 C=C(F)C(=O)OC 35790 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.3 C=CC(=O)N(C)C D70136 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.3 C=CC(=O)N(C)C D78231 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.3 C=CN(C)C(C)=O D78236 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.3 CC(=O)C(=O)CBr 23277 [0,2,0,0,0,0|0,0,0]=2 522 B6R0.3 CC(=O)[C@H](C)C#N 50820 [0,2,0,0,0,0|1,0,1]=4 523 B6R0.3 CC(=O)\C(C)=N\O F21281 [0,2,0,0,0,0|0,0,1]=3 524 B6R0.3 CC(C)C(=O)CBr 24581 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.3 CC(C)C(=O)NN 71035 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.3 CCC(=O)C(=O)O O10846 [0,2,0,0,0,0|0,0,0]=2 527 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [0,2,0,0,0,0|0,0,0]=2 528 B6R0.3 CCC(=O)N(C)C A10841 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.3 CCN(C)C(=O)Cl F20387 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.3 CC[C@H](Br)C(=O)O P18633 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.3 CC[C@H](Br)C(=O)O P18634 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.3 CC[C@H](Br)C(N)=O F30757 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.3 CC[C@H](C)C(=O)O 88657 [0,2,0,0,0,0|1,0,1]=4 537 B6R0.3 CC[C@H](C)C(=O)O 88663 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.3 CC[C@H](N)C(=O)O 11781 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.3 CC[C@H](N)C(=O)O 23105 [0,2,0,0,0,0|1,0,1]=4 541 B6R0.3 CC[C@H](N)C(=O)O 25309 [0,2,0,0,0,0|1,0,1]=4 542 B6R0.3 CC[C@H](N)C(=O)O 80046 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.3 CC[C@H](N)C(N)=O F11533 [0,2,0,0,0,0|1,0,1]=4 544 B6R0.3 CC[C@H](O)C(=O)O 24676 [0,2,0,0,0,0|0,0,2]=4 545 B6R0.3 CC[C@H](O)C(=O)O A11368 [0,2,0,0,0,0|0,0,2]=4 546 B6R0.3 CC[C@H](O)C(=O)O D90822 [0,2,0,0,0,0|0,0,2]=4 547 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [0,2,0,0,0,0|0,0,2]=4 548 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [0,2,0,0,0,0|0,0,2]=4 549 B6R0.3 CN(C)C(=O)CBr 36126 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.3 CN(C)C(=O)CCl 28569 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.3 CN(C)C(=O)CN 24099 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.3 CN(C)C(=O)CN S10593 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.3 CN(C)C(=O)CO C77616 [0,2,0,0,0,0|0,0,2]=4 554 B6R0.3 CN(N=O)C(N)=O 29290 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.3 CNC(=O)C(=O)O W11373 [0,2,0,0,0,0|0,0,0]=2 556 B6R0.3 CN[C@@H](C)C(=O)O 28475 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [0,2,0,0,0,0|1,0,1]=4 558 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.3 COC(=O)C(=N)N 71857 [0,2,0,0,0,0|1,0,0]=3 560 B6R0.3 COC(=O)C(=O)Cl 28805 [0,2,0,0,0,0|0,0,0]=2 561 B6R0.3 COC(=O)C(=O)[O-] S12240 [0,2,0,0,0,0|0,0,0]=2 562 B6R0.3 COC(=O)C(F)F D91567 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.3 COC(=O)[C@H](C)Cl 63239 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.3 COC(=O)[C@H](C)Cl O10227 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.3 COC(=O)[C@H](C)N AB10084 [0,2,0,0,0,0|1,0,1]=4 566 B6R0.3 COC(=O)[C@H](C)N AC7812 [0,2,0,0,0,0|1,0,1]=4 567 B6R0.3 COC(=O)[C@H](C)N FD21010 [0,2,0,0,0,0|1,0,1]=4 568 B6R0.3 COC(=O)[C@H](C)O C10549 [0,2,0,0,0,0|0,0,2]=4 569 B6R0.3 COC(=O)[C@H](C)O F11215 [0,2,0,0,0,0|0,0,2]=4 570 B6R0.3 CON(C)C(=O)Cl D91579 [0,2,0,0,0,0|1,0,1]=4 571 B6R0.3 CON(C)C(C)=O O12025 [0,2,0,0,0,0|1,0,1]=4 572 B6R0.3 CO[C@@H](C)C(=O)O 25435 [0,2,0,0,0,0|0,0,2]=4 573 B6R0.3 CO[C@@H](C)C(=O)O 77786 [0,2,0,0,0,0|0,0,2]=4 574 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [0,2,0,0,0,0|0,0,2]=4 575 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.3 C[C@@H](CN)C(=O)O 22851 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.3 C[C@@H](CN)C(=O)O 52204 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.3 C[C@@H](CS)C(=O)O D91461 [0,2,0,0,0,0|0,1,1]=4 579 B6R0.3 C\C=C(/C)C(=O)Cl F11166 [0,2,0,0,0,0|1,0,0]=3 580 B6R0.3 C\C=C(/C)C(=O)O D78012 [0,2,0,0,0,0|1,0,0]=3 581 B6R0.3 C\C=C(\C)C(=O)O 11732 [0,2,0,0,0,0|1,0,0]=3 582 B6R0.3 NC(=O)[C@@H](Br)CBr D95258 [0,2,0,0,0,0|1,0,1]=4 583 B6R0.3 NC(=O)[C@@H](Cl)CCl D89971 [0,2,0,0,0,0|1,0,1]=4 584 B6R0.3 NC(=O)[C@@H](N)CO 71065 [0,2,0,0,0,0|1,0,1]=4 585 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [0,2,0,0,0,0|1,0,1]=4 586 B6R0.3 NC[C@H](N)C(=O)O 22838 [0,2,0,0,0,0|1,0,1]=4 587 B6R0.3 NC[C@H](N)C(=O)O 51944 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.3 NC[C@H](N)C(=O)O 51945 [0,2,0,0,0,0|1,0,1]=4 589 B6R0.3 NC[C@H](N)C(=O)O FD1046 [0,2,0,0,0,0|1,0,1]=4 590 B6R0.3 NC[C@H](O)C(=O)O 50049 [0,2,0,0,0,0|0,0,2]=4 591 B6R0.3 NC[C@H](O)C(=O)O C10711 [0,2,0,0,0,0|0,0,2]=4 592 B6R0.3 NNC(=O)C(N)=O H10734 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [0,2,0,0,0,0|1,0,1]=4 595 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [0,2,0,0,0,0|1,0,1]=4 596 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,2,0,0,0,0|1,0,1]=4 598 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,2,0,0,0,0|1,0,1]=4 599 B6R0.3 N[C@@H](CS)C(=O)O 22868 [0,2,0,0,0,0|1,0,1]=4 600 B6R0.3 N[C@@H](CS)C(=O)O 24506 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.3 N[C@@H](CS)C(=O)O 37900 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.3 N[C@@H](CS)C(=O)O E72644 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [0,2,0,0,0,0|1,0,1]=4 605 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [0,2,0,0,0,0|1,0,1]=4 606 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [0,2,0,0,0,0|1,0,1]=4 607 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [0,2,0,0,0,0|1,0,1]=4 608 B6R0.3 O=C(Cl)[C@@H](Br)CBr D78346 [0,2,0,0,0,0|1,0,1]=4 609 B6R0.3 O=C(O)C(=O)CBr 21724 [0,2,0,0,0,0|0,0,0]=2 610 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [0,2,0,0,0,0|1,0,1]=4 611 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,2,0,0,0,0|1,0,1]=4 612 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [0,2,0,0,0,0|1,0,1]=4 613 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.4 C#CCOC(C)=O 36884 [0,2,0,0,0,0|1,0,1]=4 615 B6R0.4 C=CCCC(=O)O O12040 [0,2,0,0,0,0|2,0,0]=4 616 B6R0.4 C=CCOC(=O)Cl D87847 [0,2,0,0,0,0|2,0,0]=4 617 B6R0.4 C=CCOC(N)=O D97550 [0,2,0,0,0,0|2,0,0]=4 618 B6R0.4 CC(=O)CCCCl D77754 [0,2,0,0,0,0|1,0,1]=4 619 B6R0.4 CC(=O)CCCO 24602 [0,2,0,0,0,0|0,0,2]=4 620 B6R0.4 CC(=O)NCCN D70867 [0,2,0,0,0,0|1,0,1]=4 621 B6R0.4 CC(=O)NCCO FD10637 [0,2,0,0,0,0|0,0,2]=4 622 B6R0.4 CC(=O)NCCS AT13754 [0,2,0,0,0,0|0,1,1]=4 623 B6R0.4 CC(=O)OCCBr C10198 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.4 CC(=O)OCCCl D88201 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.4 CC(=O)OCCO D88371 [0,2,0,0,0,0|0,0,2]=4 626 B6R0.4 CC(C)=CCCBr F19983 [0,2,0,0,0,0|2,0,0]=4 627 B6R0.4 CCCNC(C)=O D97464 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.4 CCCSC(C)=O D92148 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.4 CC\C=C\C(=O)O D72497 [0,2,0,0,0,0|2,0,0]=4 630 B6R0.4 CC\C=C\C(=O)O P17755 [0,2,0,0,0,0|2,0,0]=4 631 B6R0.4 CN(C)\C=C\C=O F17473 [0,2,0,0,0,0|2,0,0]=4 632 B6R0.4 CO\C=C\C(C)=O D78013 [0,2,0,0,0,0|0,0,1]=3 633 B6R0.4 CO\C=C\C(C)=O F50213 [0,2,0,0,0,0|0,0,1]=3 634 B6R0.4 CSCCC(C)=O D91573 [0,2,0,0,0,0|0,1,1]=4 635 B6R0.4 CSCOC(C)=O D88428 [0,2,0,0,0,0|0,1,1]=4 636 B6R0.4 C\C=C\CC(=O)O D92067 [0,2,0,0,0,0|2,0,0]=4 637 B6R0.4 O=C(O)\C=C\CBr 84952 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.4 O=CNCC(=O)O AC8948 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.5 CC(C)(C)CC=O 60546 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.5 CC(C)(C)NC=O D88776 [0,2,0,0,0,0|1,0,1]=4 641 B6R0.8 C=CS(=O)(=O)CC D94604 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.8 CC(C)(C=O)CO 39324 [0,2,0,0,0,0|0,0,2]=4 643 B6R0.8 O=CC(Br)(Br)CBr D78270 [0,2,0,0,0,0|1,0,1]=4 644 B6R0.9 CCN(C=O)CC A10832 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.9 COC(C=O)OC D70286 [0,2,0,0,0,0|0,0,2]=4 646 B6R0.7 CC(=O)C(C)(C)Br F20882 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.7 CC(=O)C(C)(C)O D88126 [0,2,0,0,0,0|0,0,2]=4 648 B6R0.7 CC(=O)C(Cl)(Cl)Cl D92479 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.7 CC(=O)C(F)(F)F F10887 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.7 CC(C)(Br)C(=O)Br H11248 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.7 CC(C)(Br)C(N)=O 29749 [0,2,0,0,0,0|1,0,1]=4 652 B6R0.7 CC(C)(C)C(=O)O D78007 [0,2,0,0,0,0|1,0,1]=4 653 B6R0.7 CC(C)(C)C(=O)[O-] D70697 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.7 CC(C)(C)C(=O)[O-] D97172 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.7 CC(C)(C)C(=O)[O-] F16483 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.7 CC(C)(C)C(=O)[O-] H10729 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.7 CC(C)(C)C(=O)[O-] T70538 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.7 CC(C)(C)C(N)=O AC2528 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.7 CC(C)(F)C(=O)O 83418 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.7 CC(C)(N)C(=O)O AC8052 [0,2,0,0,0,0|1,0,1]=4 661 B6R0.7 CC(C)(N)C(N)=O 32273 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.7 CC(C)(O)C(=O)O S12287 [0,2,0,0,0,0|0,0,2]=4 663 B6R0.7 CC(C)(O)C(N)=O AC8009 [0,2,0,0,0,0|0,0,2]=4 664 B6R0.7 CC(Cl)(Cl)C(=O)Cl D80928 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.7 CC(F)(F)C(=O)O FD2064 [0,2,0,0,0,0|1,0,1]=4 666 B6R0.7 O=C([O-])P(=O)([O-])[O-] D78325 [0,2,0,0,0,0|2,0,0]=4 667 B6R0.7 O=C([O-])P(=O)([O-])[O-] D82048 [0,2,0,0,0,0|2,0,0]=4 668 B6R1.2 CC1=CC=CS1 F10310 [0,1,0,1,0,0|1,1,0]=4 669 B6R1.2 CC1=CC=NN1 FD18008 [0,1,0,1,0,0|2,0,0]=4 670 B6R1.2 CC1=CC=NO1 F14932 [0,1,0,1,0,0|1,0,1]=4 671 B6R1.2 CC1=CCC=C1 F13190 [0,1,0,1,0,0|2,0,0]=4 672 B6R1.2 CC1=CN=CS1 35579 [0,1,0,1,0,0|1,1,0]=4 673 B6R1.2 CC1=CNC=N1 73319 [0,1,0,1,0,0|2,0,0]=4 674 B6R1.2 CC1=CNN=C1 CL3422 [0,1,0,1,0,0|2,0,0]=4 675 B6R1.2 CC1=COC=N1 P11074 [0,1,0,1,0,0|1,0,1]=4 676 B6R1.2 CC1=CSC=C1 28845 [0,1,0,1,0,0|1,1,0]=4 677 B6R1.2 CC1=CSC=N1 P16589 [0,1,0,1,0,0|1,1,0]=4 678 B6R1.2 CC1=NC=CN1 D77862 [0,1,0,1,0,0|2,0,0]=4 679 B6R1.2 CC1=NC=CS1 26127 [0,1,0,1,0,0|1,1,0]=4 680 B6R1.2 CC1=NN=CN1 FD9029 [0,1,0,1,0,0|2,0,0]=4 681 B6R1.2 CC1=NN=CO1 F13450 [0,1,0,1,0,0|2,0,0]=4 682 B6R1.2 CC1=NNC=N1 50144 [0,1,0,1,0,0|2,0,0]=4 683 B6R1.2 CC1=NON=C1 C15436 [0,1,0,1,0,0|1,0,1]=4 684 B6R1.2 O=C1C=CCC1 23169 [0,1,0,1,0,0|1,0,0]=3 685 B6R1.2 O=C1C=CCO1 20453 [0,1,0,1,0,0|1,0,0]=3 686 B6R1.2 O=C1C=CNN1 F30274 [0,1,0,1,0,0|2,0,0]=4 687 B6R1.2 O=C1C=CSN1 BL007960 [0,1,0,1,0,0|1,1,0]=4 688 B6R1.2 O=C1CC=CC1 68366 [0,1,0,1,0,0|1,0,0]=3 689 B6R1.2 O=C1CC=NN1 26372 [0,1,0,1,0,0|2,0,0]=4 690 B6R1.2 O=C1CCCN1 D95709 [0,1,0,1,0,0|1,0,1]=4 691 B6R1.2 O=C1CCCN1 D96808 [0,1,0,1,0,0|1,0,1]=4 692 B6R1.2 O=C1CCNC1 65410 [0,1,0,1,0,0|1,0,1]=4 693 B6R1.2 O=C1CCNN1 F15485 [0,1,0,1,0,0|2,0,0]=4 694 B6R1.2 O=C1CCOC1 28102 [0,1,0,1,0,0|0,0,2]=4 695 B6R1.2 O=C1CCSC1 37995 [0,1,0,1,0,0|0,1,1]=4 696 B6R1.2 O=C1N=CNN1 28965 [0,1,0,1,0,0|2,0,0]=4 697 B6R1.2 O=C1NC=CN1 SC3451 [0,1,0,1,0,0|2,0,0]=4 698 B6R1.2 O=C1NCCN1 D71145 [0,1,0,1,0,0|2,0,0]=4 699 B6R1.2 O=C1NCCO1 C93484 [0,1,0,1,0,0|2,0,0]=4 700 B6R1.2 O=C1NCCS1 35133 [0,1,0,1,0,0|2,0,0]=4 701 B6R1.2 O=C1OC=CO1 28756 [0,1,0,1,0,0|2,0,0]=4 702 B6R1.2 O=C1OCCO1 D72525 [0,1,0,1,0,0|2,0,0]=4 703 B6R1.2 [Fe]C1=CC=CC1 D78443 [0,1,0,1,0,0|2,0,0]=4 704 B6R1.3 O=CNC1CC1 W10329 [0,1,0,1,0,0|1,0,1]=4 705 B6R1.5 NC1CC(=O)C1 33403 [0,1,0,1,0,0|1,0,1]=4 706 B6R1.5 O=C1CC(Br)C1 38627 [0,1,0,1,0,0|1,0,1]=4 707 B6R1.11 CC(=O)C1CC1 79965 [0,1,0,1,0,0|1,0,1]=4 708 B6R1.11 NC(=O)C1CC1 R10019 [0,1,0,1,0,0|1,0,1]=4 709 B6R1.11 O=C(Cl)C1CC1 D78023 [0,1,0,1,0,0|1,0,1]=4 710 B6R1.11 O=C(O)C1CC1 44496 [0,1,0,1,0,0|1,0,1]=4 711 B6R1.11 O=C([O-])[C@@H]1CO1 RB3380 [0,1,0,1,0,0|0,0,2]=4 712 B6R1.6 O=CC1CCC1 83143 [0,1,0,1,0,0|1,0,1]=4